NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
538591 |
2lre   |
18358 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lre
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 472
_Distance_constraint_stats_list.Viol_count 1429
_Distance_constraint_stats_list.Viol_total 2430.462
_Distance_constraint_stats_list.Viol_max 0.463
_Distance_constraint_stats_list.Viol_rms 0.0525
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0178
_Distance_constraint_stats_list.Viol_average_violations_only 0.1000
_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 7 VAL 0.610 0.131 4 0 "[ . 1 . ]"
1 8 LEU 1.728 0.287 9 0 "[ . 1 . ]"
1 9 LYS 3.520 0.360 5 0 "[ . 1 . ]"
1 10 LYS 1.570 0.261 14 0 "[ . 1 . ]"
1 11 VAL 3.562 0.287 9 0 "[ . 1 . ]"
1 12 ALA 2.198 0.148 9 0 "[ . 1 . ]"
1 13 CYS 2.385 0.261 14 0 "[ . 1 . ]"
1 14 ALA 2.311 0.194 7 0 "[ . 1 . ]"
1 15 ALA 0.143 0.096 4 0 "[ . 1 . ]"
1 16 ALA 0.181 0.181 6 0 "[ . 1 . ]"
1 17 ILE 12.183 0.440 5 0 "[ . 1 . ]"
1 18 ALA 4.724 0.440 5 0 "[ . 1 . ]"
1 19 GLY 1.029 0.324 9 0 "[ . 1 . ]"
1 20 ALA 2.304 0.126 17 0 "[ . 1 . ]"
1 21 VAL 5.667 0.323 7 0 "[ . 1 . ]"
1 22 ALA 1.212 0.324 9 0 "[ . 1 . ]"
1 23 ALA 0.853 0.096 1 0 "[ . 1 . ]"
1 24 CYS 0.695 0.074 14 0 "[ . 1 . ]"
1 25 GLY 0.443 0.116 1 0 "[ . 1 . ]"
1 26 GLY 0.292 0.116 1 0 "[ . 1 . ]"
1 27 ILE 2.054 0.463 1 0 "[ . 1 . ]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 29 LEU 8.054 0.463 1 0 "[ . 1 . ]"
1 30 PRO 0.022 0.013 8 0 "[ . 1 . ]"
1 31 CYS 3.019 0.190 1 0 "[ . 1 . ]"
1 32 VAL 6.036 0.324 10 0 "[ . 1 . ]"
1 33 LEU 2.375 0.232 7 0 "[ . 1 . ]"
1 34 ALA 0.164 0.101 7 0 "[ . 1 . ]"
1 35 ALA 0.198 0.059 4 0 "[ . 1 . ]"
1 36 LEU 1.827 0.322 7 0 "[ . 1 . ]"
1 37 LYS 1.396 0.322 7 0 "[ . 1 . ]"
1 42 CYS 0.545 0.174 17 0 "[ . 1 . ]"
1 43 ALA 0.212 0.212 1 0 "[ . 1 . ]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 45 CYS 2.437 0.180 9 0 "[ . 1 . ]"
1 46 PHE 8.002 0.386 4 0 "[ . 1 . ]"
1 47 CYS 2.008 0.386 4 0 "[ . 1 . ]"
1 48 GLU 5.252 0.320 17 0 "[ . 1 . ]"
1 49 ASP 0.028 0.017 7 0 "[ . 1 . ]"
1 50 HIS 0.904 0.284 17 0 "[ . 1 . ]"
1 51 CYS 0.358 0.251 9 0 "[ . 1 . ]"
1 52 HIS 2.962 0.251 9 0 "[ . 1 . ]"
1 54 VAL 0.831 0.121 10 0 "[ . 1 . ]"
1 55 CYS 1.418 0.226 9 0 "[ . 1 . ]"
1 56 LYS 3.799 0.353 16 0 "[ . 1 . ]"
1 57 ASP 0.657 0.118 4 0 "[ . 1 . ]"
1 58 LEU 0.140 0.110 8 0 "[ . 1 . ]"
1 59 HIS 0.665 0.130 5 0 "[ . 1 . ]"
1 60 LEU 3.708 0.425 5 0 "[ . 1 . ]"
1 61 CYS 4.536 0.320 17 0 "[ . 1 . ]"
2 7 VAL 0.961 0.206 16 0 "[ . 1 . ]"
2 8 LEU 1.840 0.268 4 0 "[ . 1 . ]"
2 9 LYS 4.142 0.280 4 0 "[ . 1 . ]"
2 10 LYS 1.876 0.256 16 0 "[ . 1 . ]"
2 11 VAL 3.696 0.268 4 0 "[ . 1 . ]"
2 12 ALA 2.616 0.228 7 0 "[ . 1 . ]"
2 13 CYS 1.699 0.256 16 0 "[ . 1 . ]"
2 14 ALA 2.326 0.208 6 0 "[ . 1 . ]"
2 15 ALA 0.036 0.025 11 0 "[ . 1 . ]"
2 16 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 17 ILE 11.706 0.391 8 0 "[ . 1 . ]"
2 18 ALA 4.269 0.391 8 0 "[ . 1 . ]"
2 19 GLY 0.766 0.094 15 0 "[ . 1 . ]"
2 20 ALA 2.102 0.094 15 0 "[ . 1 . ]"
2 21 VAL 6.012 0.330 9 0 "[ . 1 . ]"
2 22 ALA 1.142 0.330 9 0 "[ . 1 . ]"
2 23 ALA 1.121 0.124 13 0 "[ . 1 . ]"
2 24 CYS 1.371 0.104 10 0 "[ . 1 . ]"
2 25 GLY 0.451 0.104 10 0 "[ . 1 . ]"
2 26 GLY 0.570 0.101 1 0 "[ . 1 . ]"
2 27 ILE 1.314 0.313 12 0 "[ . 1 . ]"
2 28 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 29 LEU 7.588 0.313 12 0 "[ . 1 . ]"
2 30 PRO 0.000 0.000 . 0 "[ . 1 . ]"
2 31 CYS 4.969 0.234 10 0 "[ . 1 . ]"
2 32 VAL 6.478 0.313 1 0 "[ . 1 . ]"
2 33 LEU 2.464 0.236 9 0 "[ . 1 . ]"
2 34 ALA 0.265 0.107 7 0 "[ . 1 . ]"
2 35 ALA 0.061 0.043 3 0 "[ . 1 . ]"
2 36 LEU 1.617 0.267 5 0 "[ . 1 . ]"
2 37 LYS 0.592 0.267 5 0 "[ . 1 . ]"
2 42 CYS 0.597 0.217 9 0 "[ . 1 . ]"
2 43 ALA 0.152 0.152 1 0 "[ . 1 . ]"
2 44 SER 0.000 0.000 . 0 "[ . 1 . ]"
2 45 CYS 3.303 0.307 6 0 "[ . 1 . ]"
2 46 PHE 7.564 0.406 10 0 "[ . 1 . ]"
2 47 CYS 2.088 0.406 10 0 "[ . 1 . ]"
2 48 GLU 5.822 0.297 16 0 "[ . 1 . ]"
2 49 ASP 0.036 0.032 5 0 "[ . 1 . ]"
2 50 HIS 1.029 0.294 14 0 "[ . 1 . ]"
2 51 CYS 0.477 0.165 14 0 "[ . 1 . ]"
2 52 HIS 3.497 0.194 14 0 "[ . 1 . ]"
2 54 VAL 2.954 0.229 5 0 "[ . 1 . ]"
2 55 CYS 1.020 0.216 15 0 "[ . 1 . ]"
2 56 LYS 4.437 0.415 9 0 "[ . 1 . ]"
2 57 ASP 1.165 0.157 5 0 "[ . 1 . ]"
2 58 LEU 0.127 0.100 8 0 "[ . 1 . ]"
2 59 HIS 0.870 0.155 5 0 "[ . 1 . ]"
2 60 LEU 4.143 0.394 3 0 "[ . 1 . ]"
2 61 CYS 4.683 0.297 16 0 "[ . 1 . ]"
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 7 VAL HA 1 10 LYS QB 2.800 . 2.800 2.709 2.120 2.931 0.131 4 0 "[ . 1 . ]" 1
2 1 8 LEU H 1 8 LEU QB 3.200 . 3.200 2.543 2.224 2.968 . 0 0 "[ . 1 . ]" 1
3 1 8 LEU H 1 8 LEU HG 5.000 . 5.000 3.491 1.899 4.565 . 0 0 "[ . 1 . ]" 1
4 1 8 LEU HA 1 11 VAL H 5.000 . 5.000 4.973 3.865 5.287 0.287 9 0 "[ . 1 . ]" 1
5 1 8 LEU HG 1 9 LYS H 5.000 . 5.000 2.974 1.496 4.254 . 0 0 "[ . 1 . ]" 1
6 1 8 LEU HG 1 10 LYS H 5.000 . 5.000 4.664 3.563 5.082 0.082 6 0 "[ . 1 . ]" 1
7 1 9 LYS H 1 9 LYS HB2 3.400 . 3.400 2.712 2.021 3.669 0.269 17 0 "[ . 1 . ]" 1
8 1 9 LYS H 1 9 LYS HB3 3.400 . 3.400 3.377 2.845 3.643 0.243 4 0 "[ . 1 . ]" 1
9 1 9 LYS H 1 9 LYS QG 3.500 . 3.500 2.580 1.552 3.860 0.360 5 0 "[ . 1 . ]" 1
10 1 9 LYS H 1 10 LYS H 2.800 . 2.800 2.651 2.226 2.838 0.038 15 0 "[ . 1 . ]" 1
11 1 9 LYS HA 1 10 LYS H 5.000 . 5.000 3.064 2.866 3.433 . 0 0 "[ . 1 . ]" 1
12 1 9 LYS HA 1 12 ALA H 5.000 . 5.000 4.601 3.553 5.139 0.139 4 0 "[ . 1 . ]" 1
13 1 9 LYS HB3 1 10 LYS H 5.000 . 5.000 4.356 3.913 4.654 . 0 0 "[ . 1 . ]" 1
14 1 10 LYS H 1 10 LYS QB 2.800 . 2.800 2.426 2.172 2.644 . 0 0 "[ . 1 . ]" 1
15 1 10 LYS H 1 11 VAL H 3.400 . 3.400 2.570 2.107 2.987 . 0 0 "[ . 1 . ]" 1
16 1 10 LYS HA 1 13 CYS H 5.000 . 5.000 4.650 3.341 5.261 0.261 14 0 "[ . 1 . ]" 1
17 1 10 LYS QB 1 11 VAL H 5.000 . 5.000 3.505 2.116 3.917 . 0 0 "[ . 1 . ]" 1
18 1 11 VAL H 1 11 VAL HB 3.400 . 3.400 2.991 2.574 3.608 0.208 3 0 "[ . 1 . ]" 1
19 1 11 VAL H 1 12 ALA H 2.800 . 2.800 2.663 2.027 2.948 0.148 9 0 "[ . 1 . ]" 1
20 1 11 VAL HA 1 12 ALA H 5.000 . 5.000 3.099 2.722 3.549 . 0 0 "[ . 1 . ]" 1
21 1 11 VAL HA 1 14 ALA MB 5.000 . 5.000 4.590 3.259 5.185 0.185 6 0 "[ . 1 . ]" 1
22 1 11 VAL HB 1 12 ALA H 4.200 . 4.200 3.647 2.277 4.234 0.034 3 0 "[ . 1 . ]" 1
23 1 11 VAL MG1 1 12 ALA H 5.000 . 5.000 4.067 3.123 4.277 . 0 0 "[ . 1 . ]" 1
24 1 12 ALA H 1 12 ALA MB 2.800 . 2.800 2.651 2.056 2.918 0.118 14 0 "[ . 1 . ]" 1
25 1 12 ALA H 1 13 CYS H 2.800 . 2.800 2.735 2.553 2.869 0.069 14 0 "[ . 1 . ]" 1
26 1 12 ALA HA 1 13 CYS H 5.000 . 5.000 2.917 2.502 3.482 . 0 0 "[ . 1 . ]" 1
27 1 12 ALA HA 1 14 ALA H 5.000 . 5.000 4.179 3.367 5.116 0.116 14 0 "[ . 1 . ]" 1
28 1 13 CYS H 1 13 CYS QB 3.400 . 3.400 3.101 2.577 3.445 0.045 14 0 "[ . 1 . ]" 1
29 1 13 CYS H 1 14 ALA H 3.400 . 3.400 2.712 1.972 3.244 . 0 0 "[ . 1 . ]" 1
30 1 13 CYS H 1 14 ALA MB 5.000 . 5.000 4.318 3.585 4.613 . 0 0 "[ . 1 . ]" 1
31 1 13 CYS HA 1 14 ALA H 5.000 . 5.000 3.273 2.753 3.550 . 0 0 "[ . 1 . ]" 1
32 1 13 CYS HA 1 16 ALA H 5.000 . 5.000 4.246 3.558 5.181 0.181 6 0 "[ . 1 . ]" 1
33 1 13 CYS QB 1 14 ALA H 5.000 . 5.000 3.561 3.097 4.033 . 0 0 "[ . 1 . ]" 1
34 1 13 CYS QB 1 17 ILE MG 3.400 . 3.400 3.388 2.987 3.565 0.165 7 0 "[ . 1 . ]" 1
35 1 14 ALA H 1 14 ALA HA 2.800 . 2.800 2.852 2.690 2.931 0.131 13 0 "[ . 1 . ]" 1
36 1 14 ALA H 1 14 ALA MB 2.800 . 2.800 2.171 2.037 2.401 . 0 0 "[ . 1 . ]" 1
37 1 14 ALA HA 1 17 ILE HB 4.200 . 4.200 4.091 3.336 4.394 0.194 7 0 "[ . 1 . ]" 1
38 1 15 ALA HA 1 18 ALA H 5.000 . 5.000 4.535 3.747 5.096 0.096 4 0 "[ . 1 . ]" 1
39 1 16 ALA H 1 16 ALA MB 3.400 . 3.400 2.366 2.059 2.834 . 0 0 "[ . 1 . ]" 1
40 1 16 ALA MB 1 17 ILE H 5.000 . 5.000 2.742 2.244 3.348 . 0 0 "[ . 1 . ]" 1
41 1 17 ILE H 1 17 ILE HB 3.400 . 3.400 2.436 2.086 2.909 . 0 0 "[ . 1 . ]" 1
42 1 17 ILE H 1 17 ILE MD 5.000 . 5.000 3.788 3.309 4.288 . 0 0 "[ . 1 . ]" 1
43 1 17 ILE H 1 17 ILE HG12 5.000 . 5.000 4.232 3.345 4.810 . 0 0 "[ . 1 . ]" 1
44 1 17 ILE H 1 18 ALA H 3.400 . 3.400 2.448 2.306 2.607 . 0 0 "[ . 1 . ]" 1
45 1 17 ILE H 1 18 ALA HA 5.000 . 5.000 5.055 4.908 5.165 0.165 9 0 "[ . 1 . ]" 1
46 1 17 ILE H 1 36 LEU MD1 5.000 . 5.000 4.119 3.262 4.795 . 0 0 "[ . 1 . ]" 1
47 1 17 ILE HA 1 18 ALA H 5.000 . 5.000 3.516 3.313 3.597 . 0 0 "[ . 1 . ]" 1
48 1 17 ILE HA 1 20 ALA H 5.000 . 5.000 3.559 3.198 4.497 . 0 0 "[ . 1 . ]" 1
49 1 17 ILE HA 1 20 ALA MB 5.000 . 5.000 2.968 2.344 4.631 . 0 0 "[ . 1 . ]" 1
50 1 17 ILE HA 1 36 LEU MD1 3.400 . 3.400 3.241 2.629 3.515 0.115 7 0 "[ . 1 . ]" 1
51 1 17 ILE HB 1 18 ALA H 3.400 . 3.400 3.056 2.334 3.840 0.440 5 0 "[ . 1 . ]" 1
52 1 17 ILE MD 1 46 PHE QB 5.000 . 5.000 2.238 1.385 3.983 . 0 0 "[ . 1 . ]" 1
53 1 17 ILE HG12 1 18 ALA H 5.000 . 5.000 4.901 4.229 5.159 0.159 6 0 "[ . 1 . ]" 1
54 1 17 ILE HG12 1 46 PHE QE 2.800 . 2.800 3.005 2.904 3.085 0.285 16 0 "[ . 1 . ]" 1
55 1 17 ILE HG12 1 46 PHE HZ 5.000 . 5.000 4.834 4.305 5.127 0.127 4 0 "[ . 1 . ]" 1
56 1 17 ILE MG 1 45 CYS QB 5.000 . 5.000 5.006 4.470 5.178 0.178 16 0 "[ . 1 . ]" 1
57 1 17 ILE MG 1 46 PHE H 5.000 . 5.000 4.971 4.317 5.139 0.139 12 0 "[ . 1 . ]" 1
58 1 18 ALA H 1 18 ALA HA 2.800 . 2.800 2.826 2.771 2.925 0.125 6 0 "[ . 1 . ]" 1
59 1 18 ALA H 1 18 ALA MB 3.400 . 3.400 2.212 2.033 2.403 . 0 0 "[ . 1 . ]" 1
60 1 18 ALA H 1 19 GLY H 3.400 . 3.400 2.602 1.984 2.820 . 0 0 "[ . 1 . ]" 1
61 1 18 ALA HA 1 21 VAL HB 3.400 . 3.400 3.231 2.678 3.504 0.104 17 0 "[ . 1 . ]" 1
62 1 18 ALA MB 1 19 GLY H 5.000 . 5.000 2.891 2.590 3.627 . 0 0 "[ . 1 . ]" 1
63 1 19 GLY H 1 19 GLY QA 2.800 . 2.800 2.245 2.215 2.400 . 0 0 "[ . 1 . ]" 1
64 1 19 GLY H 1 20 ALA H 3.400 . 3.400 2.397 1.999 2.543 . 0 0 "[ . 1 . ]" 1
65 1 19 GLY H 1 20 ALA HA 5.000 . 5.000 5.015 4.646 5.105 0.105 15 0 "[ . 1 . ]" 1
66 1 19 GLY QA 1 20 ALA H 3.400 . 3.400 2.792 2.627 2.880 . 0 0 "[ . 1 . ]" 1
67 1 19 GLY QA 1 21 VAL H 5.000 . 5.000 3.712 3.406 3.962 . 0 0 "[ . 1 . ]" 1
68 1 19 GLY QA 1 22 ALA H 5.000 . 5.000 3.663 3.364 4.725 . 0 0 "[ . 1 . ]" 1
69 1 19 GLY HA2 1 22 ALA MB 5.000 . 5.000 3.535 2.896 5.324 0.324 9 0 "[ . 1 . ]" 1
70 1 20 ALA H 1 20 ALA HA 2.800 . 2.800 2.857 2.819 2.926 0.126 17 0 "[ . 1 . ]" 1
71 1 20 ALA H 1 20 ALA MB 3.400 . 3.400 2.231 2.094 2.493 . 0 0 "[ . 1 . ]" 1
72 1 20 ALA H 1 21 VAL H 3.400 . 3.400 2.432 1.861 2.756 . 0 0 "[ . 1 . ]" 1
73 1 20 ALA H 1 23 ALA MB 5.000 . 5.000 4.748 4.372 5.029 0.029 17 0 "[ . 1 . ]" 1
74 1 20 ALA HA 1 21 VAL H 3.400 . 3.400 3.404 3.042 3.484 0.084 4 0 "[ . 1 . ]" 1
75 1 20 ALA HA 1 23 ALA MB 2.800 . 2.800 2.452 2.023 2.765 . 0 0 "[ . 1 . ]" 1
76 1 20 ALA MB 1 21 VAL H 5.000 . 5.000 2.956 2.690 3.547 . 0 0 "[ . 1 . ]" 1
77 1 20 ALA MB 1 32 VAL HA 5.000 . 5.000 2.954 1.994 3.815 . 0 0 "[ . 1 . ]" 1
78 1 20 ALA MB 1 32 VAL MG1 5.000 . 5.000 1.829 1.600 2.105 . 0 0 "[ . 1 . ]" 1
79 1 20 ALA MB 1 36 LEU MD1 5.000 . 5.000 4.232 3.253 5.007 0.007 9 0 "[ . 1 . ]" 1
80 1 21 VAL H 1 21 VAL HB 2.800 . 2.800 2.377 2.099 2.511 . 0 0 "[ . 1 . ]" 1
81 1 21 VAL H 1 21 VAL MG1 3.400 . 3.400 3.578 2.029 3.723 0.323 7 0 "[ . 1 . ]" 1
82 1 21 VAL H 1 22 ALA H 2.800 . 2.800 2.632 2.545 2.717 . 0 0 "[ . 1 . ]" 1
83 1 21 VAL HA 1 22 ALA H 5.000 . 5.000 3.542 3.493 3.563 . 0 0 "[ . 1 . ]" 1
84 1 21 VAL HB 1 22 ALA H 3.400 . 3.400 2.653 2.331 3.710 0.310 9 0 "[ . 1 . ]" 1
85 1 21 VAL MG1 1 22 ALA H 5.000 . 5.000 3.170 1.868 3.453 . 0 0 "[ . 1 . ]" 1
86 1 21 VAL MG1 1 26 GLY H 5.000 . 5.000 3.244 2.376 4.534 . 0 0 "[ . 1 . ]" 1
87 1 21 VAL MG1 1 32 VAL MG1 5.000 . 5.000 4.460 3.759 5.057 0.057 17 0 "[ . 1 . ]" 1
88 1 22 ALA H 1 22 ALA HA 2.800 . 2.800 2.834 2.806 2.849 0.049 12 0 "[ . 1 . ]" 1
89 1 22 ALA H 1 22 ALA MB 2.800 . 2.800 2.161 2.051 2.233 . 0 0 "[ . 1 . ]" 1
90 1 22 ALA H 1 23 ALA H 2.800 . 2.800 2.577 2.499 2.701 . 0 0 "[ . 1 . ]" 1
91 1 23 ALA H 1 23 ALA HA 2.800 . 2.800 2.848 2.806 2.896 0.096 1 0 "[ . 1 . ]" 1
92 1 23 ALA H 1 23 ALA MB 2.800 . 2.800 2.146 2.055 2.250 . 0 0 "[ . 1 . ]" 1
93 1 23 ALA MB 1 24 CYS H 5.000 . 5.000 2.756 2.433 3.322 . 0 0 "[ . 1 . ]" 1
94 1 24 CYS H 1 24 CYS HB2 3.400 . 3.400 2.620 2.378 3.124 . 0 0 "[ . 1 . ]" 1
95 1 24 CYS H 1 25 GLY H 2.800 . 2.800 2.359 2.180 2.799 . 0 0 "[ . 1 . ]" 1
96 1 24 CYS H 1 25 GLY HA3 5.000 . 5.000 4.972 4.734 5.074 0.074 14 0 "[ . 1 . ]" 1
97 1 24 CYS H 1 32 VAL MG1 5.000 . 5.000 4.986 4.864 5.047 0.047 10 0 "[ . 1 . ]" 1
98 1 24 CYS HA 1 25 GLY H 5.000 . 5.000 3.347 2.627 3.531 . 0 0 "[ . 1 . ]" 1
99 1 24 CYS HB2 1 25 GLY H 5.000 . 5.000 3.936 2.948 4.656 . 0 0 "[ . 1 . ]" 1
100 1 24 CYS HB2 1 26 GLY H 5.000 . 5.000 4.726 3.822 5.035 0.035 16 0 "[ . 1 . ]" 1
101 1 25 GLY H 1 25 GLY HA2 2.800 . 2.800 2.374 2.305 2.527 . 0 0 "[ . 1 . ]" 1
102 1 25 GLY H 1 26 GLY H 3.400 . 3.400 2.651 1.914 3.516 0.116 1 0 "[ . 1 . ]" 1
103 1 25 GLY HA2 1 26 GLY H 5.000 . 5.000 3.017 2.356 3.564 . 0 0 "[ . 1 . ]" 1
104 1 25 GLY HA3 1 26 GLY H 5.000 . 5.000 3.266 2.532 3.568 . 0 0 "[ . 1 . ]" 1
105 1 26 GLY HA2 1 27 ILE H 5.000 . 5.000 2.411 2.091 2.597 . 0 0 "[ . 1 . ]" 1
106 1 26 GLY HA3 1 27 ILE H 5.000 . 5.000 2.791 2.567 3.277 . 0 0 "[ . 1 . ]" 1
107 1 27 ILE H 1 27 ILE HG12 5.000 . 5.000 4.182 2.470 4.890 . 0 0 "[ . 1 . ]" 1
108 1 27 ILE H 1 27 ILE HG13 5.000 . 5.000 4.200 1.759 4.889 . 0 0 "[ . 1 . ]" 1
109 1 27 ILE HA 1 28 ASP H 2.800 . 2.800 2.130 2.059 2.231 . 0 0 "[ . 1 . ]" 1
110 1 27 ILE HA 1 29 LEU H 5.500 . 5.500 5.386 4.057 5.963 0.463 1 0 "[ . 1 . ]" 1
111 1 27 ILE MD 1 46 PHE QD 5.000 . 5.000 4.486 3.513 5.134 0.134 7 0 "[ . 1 . ]" 1
112 1 27 ILE MD 1 46 PHE HZ 5.000 . 5.000 3.351 2.022 5.049 0.049 10 0 "[ . 1 . ]" 1
113 1 28 ASP H 1 28 ASP QB 3.400 . 3.400 2.799 2.506 3.248 . 0 0 "[ . 1 . ]" 1
114 1 28 ASP H 1 32 VAL MG1 5.000 . 5.000 3.905 3.065 4.901 . 0 0 "[ . 1 . ]" 1
115 1 29 LEU H 1 29 LEU QB 3.400 . 3.400 2.967 2.430 3.224 . 0 0 "[ . 1 . ]" 1
116 1 29 LEU H 1 29 LEU MD1 5.000 . 5.000 4.343 4.156 4.427 . 0 0 "[ . 1 . ]" 1
117 1 29 LEU H 1 29 LEU HG 5.000 . 5.000 4.661 4.475 4.994 . 0 0 "[ . 1 . ]" 1
118 1 29 LEU H 1 31 CYS HA 6.000 . 6.000 5.852 5.249 6.190 0.190 1 0 "[ . 1 . ]" 1
119 1 29 LEU HA 1 32 VAL H 5.000 . 5.000 3.626 3.258 3.887 . 0 0 "[ . 1 . ]" 1
120 1 29 LEU HA 1 33 LEU H 5.000 . 5.000 3.783 3.149 4.186 . 0 0 "[ . 1 . ]" 1
121 1 29 LEU HA 1 46 PHE HZ 3.400 . 3.400 3.112 2.313 3.465 0.065 8 0 "[ . 1 . ]" 1
122 1 29 LEU MD1 1 33 LEU HA 3.400 . 3.400 3.521 3.442 3.632 0.232 7 0 "[ . 1 . ]" 1
123 1 29 LEU MD1 1 36 LEU MD1 5.000 . 5.000 4.650 3.862 5.088 0.088 5 0 "[ . 1 . ]" 1
124 1 29 LEU MD1 1 46 PHE QD 5.000 . 5.000 3.622 2.243 4.845 . 0 0 "[ . 1 . ]" 1
125 1 29 LEU MD1 1 46 PHE QE 3.400 . 3.400 2.923 1.310 3.436 0.036 12 0 "[ . 1 . ]" 1
126 1 29 LEU MD1 1 46 PHE HZ 3.400 . 3.400 3.331 2.295 3.563 0.163 7 0 "[ . 1 . ]" 1
127 1 29 LEU MD1 1 47 CYS H 5.000 . 5.000 4.655 3.679 5.213 0.213 4 0 "[ . 1 . ]" 1
128 1 29 LEU MD1 1 55 CYS H 5.000 . 5.000 3.516 3.275 3.822 . 0 0 "[ . 1 . ]" 1
129 1 29 LEU MD1 1 56 LYS H 5.000 . 5.000 5.125 5.017 5.327 0.327 16 0 "[ . 1 . ]" 1
130 1 30 PRO HA 2 54 VAL MG1 5.000 . 5.000 4.206 3.099 5.013 0.013 8 0 "[ . 1 . ]" 1
131 1 30 PRO QD 2 54 VAL MG1 5.000 . 5.000 3.989 3.299 4.539 . 0 0 "[ . 1 . ]" 1
132 1 31 CYS H 1 31 CYS HA 2.800 . 2.800 2.875 2.803 2.929 0.129 13 0 "[ . 1 . ]" 1
133 1 31 CYS H 1 31 CYS QB 2.800 . 2.800 2.458 2.138 2.902 0.102 2 0 "[ . 1 . ]" 1
134 1 31 CYS H 1 32 VAL H . . 2.800 2.291 1.895 2.665 . 0 0 "[ . 1 . ]" 1
135 1 31 CYS HA 1 32 VAL H 5.000 . 5.000 3.501 3.441 3.554 . 0 0 "[ . 1 . ]" 1
136 1 31 CYS HA 1 33 LEU H 5.000 . 5.000 3.914 3.679 4.433 . 0 0 "[ . 1 . ]" 1
137 1 31 CYS HA 1 54 VAL QG 5.000 . 5.000 4.760 4.353 5.121 0.121 10 0 "[ . 1 . ]" 1
138 1 31 CYS QB 1 32 VAL H 3.400 . 3.400 3.092 2.352 3.506 0.106 5 0 "[ . 1 . ]" 1
139 1 32 VAL H 1 32 VAL HB 2.800 . 2.800 2.586 2.287 2.929 0.129 11 0 "[ . 1 . ]" 1
140 1 32 VAL H 1 32 VAL MG1 3.400 . 3.400 3.685 3.572 3.724 0.324 10 0 "[ . 1 . ]" 1
141 1 32 VAL H 1 33 LEU H 3.400 . 3.400 2.573 2.415 2.703 . 0 0 "[ . 1 . ]" 1
142 1 32 VAL HA 1 33 LEU H 5.000 . 5.000 3.443 3.321 3.532 . 0 0 "[ . 1 . ]" 1
143 1 32 VAL HA 1 35 ALA H 5.000 . 5.000 3.718 3.166 4.160 . 0 0 "[ . 1 . ]" 1
144 1 32 VAL HA 1 35 ALA MB 5.000 . 5.000 3.830 2.607 5.011 0.011 3 0 "[ . 1 . ]" 1
145 1 32 VAL HB 1 33 LEU H 3.400 . 3.400 3.094 2.795 3.421 0.021 10 0 "[ . 1 . ]" 1
146 1 32 VAL MG1 1 33 LEU H 5.000 . 5.000 3.914 3.596 4.248 . 0 0 "[ . 1 . ]" 1
147 1 32 VAL MG1 1 36 LEU QB 5.000 . 5.000 3.358 2.082 4.961 . 0 0 "[ . 1 . ]" 1
148 1 32 VAL MG1 1 36 LEU MD1 5.000 . 5.000 3.831 2.891 4.457 . 0 0 "[ . 1 . ]" 1
149 1 32 VAL MG1 1 46 PHE QD 5.000 . 5.000 4.049 3.425 4.817 . 0 0 "[ . 1 . ]" 1
150 1 32 VAL MG2 1 46 PHE QE 5.000 . 5.000 3.930 2.944 4.943 . 0 0 "[ . 1 . ]" 1
151 1 32 VAL MG2 1 46 PHE HZ 5.000 . 5.000 3.568 2.384 4.677 . 0 0 "[ . 1 . ]" 1
152 1 33 LEU H 1 33 LEU QB 2.800 . 2.800 2.254 2.129 2.691 . 0 0 "[ . 1 . ]" 1
153 1 33 LEU H 1 33 LEU MD1 5.000 . 5.000 4.010 2.983 4.335 . 0 0 "[ . 1 . ]" 1
154 1 33 LEU H 1 33 LEU HG 5.000 . 5.000 4.070 2.009 4.518 . 0 0 "[ . 1 . ]" 1
155 1 33 LEU H 1 34 ALA H 3.400 . 3.400 2.708 2.567 2.836 . 0 0 "[ . 1 . ]" 1
156 1 33 LEU H 1 35 ALA H 5.000 . 5.000 4.562 4.083 5.059 0.059 4 0 "[ . 1 . ]" 1
157 1 33 LEU HA 1 34 ALA H 5.000 . 5.000 3.492 3.388 3.555 . 0 0 "[ . 1 . ]" 1
158 1 33 LEU HA 1 36 LEU MD1 5.000 . 5.000 4.337 3.533 4.719 . 0 0 "[ . 1 . ]" 1
159 1 33 LEU MD1 1 54 VAL QG 5.000 . 5.000 3.081 1.900 3.898 . 0 0 "[ . 1 . ]" 1
160 1 33 LEU HG 1 34 ALA H 5.000 . 5.000 4.067 2.306 5.101 0.101 7 0 "[ . 1 . ]" 1
161 1 34 ALA H 1 34 ALA MB 3.400 . 3.400 2.148 2.027 2.232 . 0 0 "[ . 1 . ]" 1
162 1 34 ALA H 1 35 ALA H 3.400 . 3.400 2.836 2.514 3.066 . 0 0 "[ . 1 . ]" 1
163 1 34 ALA HA 1 35 ALA H 5.000 . 5.000 3.531 3.248 3.587 . 0 0 "[ . 1 . ]" 1
164 1 35 ALA H 1 35 ALA MB 2.800 . 2.800 2.242 2.070 2.441 . 0 0 "[ . 1 . ]" 1
165 1 35 ALA H 1 36 LEU H . . 2.800 2.496 2.188 2.839 0.039 9 0 "[ . 1 . ]" 1
166 1 36 LEU H 1 36 LEU QB 2.800 . 2.800 2.348 2.163 2.677 . 0 0 "[ . 1 . ]" 1
167 1 36 LEU H 1 36 LEU MD1 5.000 . 5.000 4.195 3.947 4.502 . 0 0 "[ . 1 . ]" 1
168 1 36 LEU H 1 37 LYS H 3.400 . 3.400 2.343 1.903 3.483 0.083 17 0 "[ . 1 . ]" 1
169 1 36 LEU HA 1 37 LYS H 5.000 . 5.000 3.371 2.524 3.584 . 0 0 "[ . 1 . ]" 1
170 1 36 LEU MD1 1 37 LYS HA 5.500 . 5.500 5.161 4.277 5.822 0.322 7 0 "[ . 1 . ]" 1
171 1 36 LEU MD1 1 42 CYS HB2 5.000 . 5.000 3.837 2.701 5.000 0.000 17 0 "[ . 1 . ]" 1
172 1 36 LEU MD1 1 42 CYS HB3 5.000 . 5.000 3.719 2.007 5.092 0.092 7 0 "[ . 1 . ]" 1
173 1 36 LEU MD1 1 46 PHE H 5.000 . 5.000 4.525 3.419 5.225 0.225 17 0 "[ . 1 . ]" 1
174 1 36 LEU MD1 1 46 PHE HB2 5.000 . 5.000 3.581 2.770 5.236 0.236 4 0 "[ . 1 . ]" 1
175 1 37 LYS H 1 37 LYS HB2 3.400 . 3.400 2.882 2.175 3.663 0.263 12 0 "[ . 1 . ]" 1
176 1 37 LYS H 1 37 LYS HG2 5.000 . 5.000 3.673 2.102 4.606 . 0 0 "[ . 1 . ]" 1
177 1 37 LYS H 1 37 LYS HG3 5.000 . 5.000 3.841 1.891 4.933 . 0 0 "[ . 1 . ]" 1
178 1 42 CYS HA 1 45 CYS H 5.000 . 5.000 4.642 3.374 5.174 0.174 17 0 "[ . 1 . ]" 1
179 1 43 ALA HA 1 46 PHE H 5.000 . 5.000 3.645 2.734 5.212 0.212 1 0 "[ . 1 . ]" 1
180 1 44 SER QB 1 45 CYS H 5.000 . 5.000 3.331 2.137 4.024 . 0 0 "[ . 1 . ]" 1
181 1 45 CYS H 1 45 CYS QB 2.800 . 2.800 2.512 2.192 2.864 0.064 12 0 "[ . 1 . ]" 1
182 1 45 CYS H 1 46 PHE H 3.400 . 3.400 2.391 1.466 2.914 . 0 0 "[ . 1 . ]" 1
183 1 45 CYS HA 1 46 PHE H 5.000 . 5.000 3.502 3.368 3.577 . 0 0 "[ . 1 . ]" 1
184 1 45 CYS HA 1 48 GLU H 5.000 . 5.000 4.710 4.066 5.180 0.180 9 0 "[ . 1 . ]" 1
185 1 45 CYS QB 1 46 PHE H 3.400 . 3.400 2.752 1.929 3.522 0.122 17 0 "[ . 1 . ]" 1
186 1 46 PHE H 1 46 PHE QB 2.800 . 2.800 2.238 2.154 2.456 . 0 0 "[ . 1 . ]" 1
187 1 46 PHE H 1 47 CYS H 5.000 . 5.000 2.709 2.128 4.508 . 0 0 "[ . 1 . ]" 1
188 1 46 PHE QB 1 47 CYS H 2.800 . 2.800 2.243 1.657 3.186 0.386 4 0 "[ . 1 . ]" 1
189 1 47 CYS H 1 47 CYS HB2 3.400 . 3.400 2.600 2.120 3.577 0.177 9 0 "[ . 1 . ]" 1
190 1 47 CYS H 1 48 GLU H . . 3.400 3.127 2.707 3.568 0.168 5 0 "[ . 1 . ]" 1
191 1 47 CYS HB3 1 61 CYS HB2 5.000 . 5.000 4.162 3.430 4.903 . 0 0 "[ . 1 . ]" 1
192 1 47 CYS HB3 1 61 CYS HB3 3.400 . 3.400 3.184 2.276 3.702 0.302 7 0 "[ . 1 . ]" 1
193 1 48 GLU H 1 48 GLU QG 5.000 . 5.000 3.730 2.143 4.078 . 0 0 "[ . 1 . ]" 1
194 1 48 GLU H 1 49 ASP H 3.400 . 3.400 2.940 2.538 3.408 0.008 9 0 "[ . 1 . ]" 1
195 1 48 GLU HA 1 49 ASP H 5.000 . 5.000 3.539 3.423 3.573 . 0 0 "[ . 1 . ]" 1
196 1 48 GLU HA 1 61 CYS HB2 3.400 . 3.400 3.175 2.117 3.664 0.264 9 0 "[ . 1 . ]" 1
197 1 48 GLU HA 1 61 CYS HB3 3.400 . 3.400 3.539 3.434 3.720 0.320 17 0 "[ . 1 . ]" 1
198 1 48 GLU QG 1 49 ASP H 5.000 . 5.000 3.372 2.352 4.043 . 0 0 "[ . 1 . ]" 1
199 1 48 GLU QG 1 50 HIS H 5.000 . 5.000 4.977 4.210 5.284 0.284 17 0 "[ . 1 . ]" 1
200 1 49 ASP H 1 49 ASP QB 2.800 . 2.800 2.342 2.075 2.817 0.017 7 0 "[ . 1 . ]" 1
201 1 49 ASP H 1 50 HIS H 2.800 . 2.800 2.257 2.010 2.618 . 0 0 "[ . 1 . ]" 1
202 1 50 HIS H 1 51 CYS H 5.000 . 5.000 3.726 3.244 4.294 . 0 0 "[ . 1 . ]" 1
203 1 51 CYS H 1 51 CYS QB 3.400 . 3.400 2.563 2.320 3.205 . 0 0 "[ . 1 . ]" 1
204 1 51 CYS H 1 52 HIS HA 5.000 . 5.000 4.781 4.066 5.251 0.251 9 0 "[ . 1 . ]" 1
205 1 52 HIS H 1 52 HIS HA 2.800 . 2.800 2.891 2.620 2.940 0.140 13 0 "[ . 1 . ]" 1
206 1 52 HIS H 1 52 HIS HB2 3.800 . 3.800 3.450 2.559 3.953 0.153 11 0 "[ . 1 . ]" 1
207 1 52 HIS H 1 55 CYS H 5.000 . 5.000 5.018 4.941 5.105 0.105 4 0 "[ . 1 . ]" 1
208 1 52 HIS H 1 56 LYS H 5.000 . 5.000 4.599 4.116 5.001 0.001 6 0 "[ . 1 . ]" 1
209 1 54 VAL HA 1 57 ASP H 5.000 . 5.000 3.586 3.042 4.025 . 0 0 "[ . 1 . ]" 1
210 1 54 VAL HA 1 57 ASP HB2 3.400 . 3.400 2.826 2.150 3.459 0.059 1 0 "[ . 1 . ]" 1
211 1 54 VAL HA 1 57 ASP HB3 3.400 . 3.400 3.323 2.923 3.518 0.118 4 0 "[ . 1 . ]" 1
212 1 54 VAL QG 2 30 PRO HA 5.000 . 5.000 3.887 2.666 4.877 . 0 0 "[ . 1 . ]" 1
213 1 54 VAL QG 2 30 PRO QD 5.000 . 5.000 4.184 3.553 4.949 . 0 0 "[ . 1 . ]" 1
214 1 55 CYS H 1 55 CYS HB2 3.400 . 3.400 2.480 2.122 3.450 0.050 9 0 "[ . 1 . ]" 1
215 1 55 CYS H 1 56 LYS H 3.400 . 3.400 2.520 2.347 2.832 . 0 0 "[ . 1 . ]" 1
216 1 55 CYS HA 1 60 LEU MD1 5.000 . 5.000 3.900 2.643 5.151 0.151 15 0 "[ . 1 . ]" 1
217 1 55 CYS HB2 1 56 LYS H 3.800 . 3.800 3.697 3.026 4.026 0.226 9 0 "[ . 1 . ]" 1
218 1 55 CYS HB3 1 56 LYS H 5.000 . 5.000 2.940 2.452 4.054 . 0 0 "[ . 1 . ]" 1
219 1 56 LYS H 1 56 LYS QB 3.400 . 3.400 2.456 2.051 2.770 . 0 0 "[ . 1 . ]" 1
220 1 56 LYS H 1 56 LYS QG 3.500 . 3.500 2.700 2.061 3.853 0.353 16 0 "[ . 1 . ]" 1
221 1 56 LYS H 1 57 ASP H 2.800 . 2.800 2.510 2.337 2.694 . 0 0 "[ . 1 . ]" 1
222 1 56 LYS QB 1 57 ASP H 5.000 . 5.000 3.584 2.790 4.000 . 0 0 "[ . 1 . ]" 1
223 1 56 LYS QG 1 57 ASP H 5.000 . 5.000 3.302 2.045 4.408 . 0 0 "[ . 1 . ]" 1
224 1 57 ASP H 1 57 ASP HB2 3.400 . 3.400 2.497 2.226 2.740 . 0 0 "[ . 1 . ]" 1
225 1 57 ASP H 1 58 LEU H 5.000 . 5.000 2.660 2.094 4.459 . 0 0 "[ . 1 . ]" 1
226 1 57 ASP HB3 1 58 LEU H 5.000 . 5.000 2.837 2.181 4.184 . 0 0 "[ . 1 . ]" 1
227 1 58 LEU H 1 58 LEU QB 3.400 . 3.400 2.508 2.256 3.185 . 0 0 "[ . 1 . ]" 1
228 1 58 LEU H 1 58 LEU MD1 5.000 . 5.000 3.877 2.303 4.921 . 0 0 "[ . 1 . ]" 1
229 1 58 LEU H 1 58 LEU HG 5.000 . 5.000 3.645 2.181 4.872 . 0 0 "[ . 1 . ]" 1
230 1 58 LEU H 1 59 HIS H . . 3.400 2.378 1.640 3.510 0.110 8 0 "[ . 1 . ]" 1
231 1 58 LEU HB2 1 59 HIS H 5.000 . 5.000 3.484 3.072 4.570 . 0 0 "[ . 1 . ]" 1
232 1 59 HIS H 1 59 HIS HA 2.800 . 2.800 2.377 2.239 2.902 0.102 15 0 "[ . 1 . ]" 1
233 1 59 HIS H 1 60 LEU MD1 5.000 . 5.000 4.462 2.613 5.130 0.130 5 0 "[ . 1 . ]" 1
234 1 60 LEU H 1 60 LEU HA 2.800 . 2.800 2.902 2.806 2.936 0.136 2 0 "[ . 1 . ]" 1
235 1 60 LEU H 1 60 LEU HB2 3.400 . 3.400 2.935 2.460 3.825 0.425 5 0 "[ . 1 . ]" 1
236 1 60 LEU H 1 60 LEU MD1 5.000 . 5.000 3.689 2.104 4.456 . 0 0 "[ . 1 . ]" 1
237 1 60 LEU H 1 60 LEU HG 5.000 . 5.000 3.428 1.961 4.874 . 0 0 "[ . 1 . ]" 1
238 1 60 LEU H 1 61 CYS H 2.800 . 2.800 2.180 1.821 3.031 0.231 15 0 "[ . 1 . ]" 1
239 2 7 VAL HA 2 10 LYS QB 2.800 . 2.800 2.809 2.498 3.006 0.206 16 0 "[ . 1 . ]" 1
240 2 8 LEU H 2 8 LEU QB 3.000 . 3.000 2.540 2.222 3.020 0.020 16 0 "[ . 1 . ]" 1
241 2 8 LEU H 2 8 LEU HG 5.000 . 5.000 3.548 1.902 4.689 . 0 0 "[ . 1 . ]" 1
242 2 8 LEU HA 2 11 VAL H 5.000 . 5.000 4.928 3.640 5.268 0.268 4 0 "[ . 1 . ]" 1
243 2 8 LEU HG 2 9 LYS H 5.000 . 5.000 3.196 1.755 4.335 . 0 0 "[ . 1 . ]" 1
244 2 8 LEU HG 2 10 LYS H 5.000 . 5.000 4.706 4.039 5.113 0.113 5 0 "[ . 1 . ]" 1
245 2 9 LYS H 2 9 LYS HB2 3.400 . 3.400 2.659 2.353 3.680 0.280 4 0 "[ . 1 . ]" 1
246 2 9 LYS H 2 9 LYS HB3 3.400 . 3.400 3.462 2.522 3.641 0.241 7 0 "[ . 1 . ]" 1
247 2 9 LYS H 2 9 LYS QG 3.500 . 3.500 2.444 1.660 3.264 . 0 0 "[ . 1 . ]" 1
248 2 9 LYS H 2 10 LYS H 2.800 . 2.800 2.690 2.480 2.872 0.072 4 0 "[ . 1 . ]" 1
249 2 9 LYS HA 2 10 LYS H 5.000 . 5.000 3.067 2.708 3.456 . 0 0 "[ . 1 . ]" 1
250 2 9 LYS HA 2 12 ALA H 5.000 . 5.000 4.600 3.033 5.228 0.228 7 0 "[ . 1 . ]" 1
251 2 9 LYS HB3 2 10 LYS H 5.000 . 5.000 4.378 3.984 4.608 . 0 0 "[ . 1 . ]" 1
252 2 10 LYS H 2 10 LYS QB 2.800 . 2.800 2.377 2.093 2.616 . 0 0 "[ . 1 . ]" 1
253 2 10 LYS H 2 11 VAL H 3.400 . 3.400 2.583 2.298 2.950 . 0 0 "[ . 1 . ]" 1
254 2 10 LYS HA 2 13 CYS H 5.000 . 5.000 4.534 3.565 5.256 0.256 16 0 "[ . 1 . ]" 1
255 2 10 LYS QB 2 11 VAL H 5.000 . 5.000 3.396 2.002 3.934 . 0 0 "[ . 1 . ]" 1
256 2 11 VAL H 2 11 VAL HB 3.400 . 3.400 3.001 2.556 3.653 0.253 4 0 "[ . 1 . ]" 1
257 2 11 VAL H 2 12 ALA H 2.800 . 2.800 2.684 1.919 2.992 0.192 8 0 "[ . 1 . ]" 1
258 2 11 VAL HA 2 12 ALA H 5.000 . 5.000 3.080 2.692 3.550 . 0 0 "[ . 1 . ]" 1
259 2 11 VAL HA 2 14 ALA MB 5.000 . 5.000 4.452 2.560 5.208 0.208 6 0 "[ . 1 . ]" 1
260 2 11 VAL HB 2 12 ALA H 4.200 . 4.200 3.710 2.248 4.263 0.063 2 0 "[ . 1 . ]" 1
261 2 11 VAL MG1 2 12 ALA H 5.000 . 5.000 4.097 3.165 4.283 . 0 0 "[ . 1 . ]" 1
262 2 12 ALA H 2 12 ALA MB 2.800 . 2.800 2.636 2.084 2.967 0.167 7 0 "[ . 1 . ]" 1
263 2 12 ALA H 2 13 CYS H 2.800 . 2.800 2.728 2.467 2.900 0.100 12 0 "[ . 1 . ]" 1
264 2 12 ALA HA 2 13 CYS H 5.000 . 5.000 2.874 2.383 3.567 . 0 0 "[ . 1 . ]" 1
265 2 12 ALA HA 2 14 ALA H 5.000 . 5.000 4.184 3.295 4.847 . 0 0 "[ . 1 . ]" 1
266 2 13 CYS H 2 13 CYS QB 3.400 . 3.400 3.084 2.546 3.441 0.041 7 0 "[ . 1 . ]" 1
267 2 13 CYS H 2 14 ALA H 3.400 . 3.400 2.743 2.247 3.011 . 0 0 "[ . 1 . ]" 1
268 2 13 CYS H 2 14 ALA MB 5.000 . 5.000 4.353 3.942 4.672 . 0 0 "[ . 1 . ]" 1
269 2 13 CYS HA 2 14 ALA H 5.000 . 5.000 3.141 2.691 3.554 . 0 0 "[ . 1 . ]" 1
270 2 13 CYS HA 2 16 ALA H 5.000 . 5.000 4.177 3.298 4.848 . 0 0 "[ . 1 . ]" 1
271 2 13 CYS QB 2 14 ALA H 5.000 . 5.000 3.749 3.321 4.039 . 0 0 "[ . 1 . ]" 1
272 2 13 CYS QB 2 17 ILE MG 3.400 . 3.400 3.269 2.219 3.560 0.160 13 0 "[ . 1 . ]" 1
273 2 14 ALA H 2 14 ALA HA 2.800 . 2.800 2.863 2.776 2.929 0.129 13 0 "[ . 1 . ]" 1
274 2 14 ALA H 2 14 ALA MB 2.800 . 2.800 2.198 2.041 2.474 . 0 0 "[ . 1 . ]" 1
275 2 14 ALA HA 2 17 ILE HB 4.200 . 4.200 4.036 3.188 4.406 0.206 7 0 "[ . 1 . ]" 1
276 2 15 ALA HA 2 18 ALA H 5.000 . 5.000 4.660 3.824 5.025 0.025 11 0 "[ . 1 . ]" 1
277 2 16 ALA H 2 16 ALA MB 3.400 . 3.400 2.336 2.023 2.773 . 0 0 "[ . 1 . ]" 1
278 2 16 ALA MB 2 17 ILE H 5.000 . 5.000 2.895 2.438 3.644 . 0 0 "[ . 1 . ]" 1
279 2 17 ILE H 2 17 ILE HB 3.400 . 3.400 2.452 2.113 2.845 . 0 0 "[ . 1 . ]" 1
280 2 17 ILE H 2 17 ILE MD 5.000 . 5.000 3.847 3.390 4.490 . 0 0 "[ . 1 . ]" 1
281 2 17 ILE H 2 17 ILE HG12 5.000 . 5.000 4.353 3.689 4.919 . 0 0 "[ . 1 . ]" 1
282 2 17 ILE H 2 18 ALA H 3.400 . 3.400 2.391 2.140 2.564 . 0 0 "[ . 1 . ]" 1
283 2 17 ILE H 2 18 ALA HA 5.000 . 5.000 4.986 4.684 5.143 0.143 1 0 "[ . 1 . ]" 1
284 2 17 ILE H 2 36 LEU MD1 5.000 . 5.000 4.208 3.293 4.993 . 0 0 "[ . 1 . ]" 1
285 2 17 ILE HA 2 18 ALA H 5.000 . 5.000 3.541 3.464 3.600 . 0 0 "[ . 1 . ]" 1
286 2 17 ILE HA 2 20 ALA H 5.000 . 5.000 3.526 3.239 3.898 . 0 0 "[ . 1 . ]" 1
287 2 17 ILE HA 2 20 ALA MB 5.000 . 5.000 2.931 2.415 3.579 . 0 0 "[ . 1 . ]" 1
288 2 17 ILE HA 2 36 LEU MD1 3.400 . 3.400 3.276 2.445 3.521 0.121 14 0 "[ . 1 . ]" 1
289 2 17 ILE HB 2 18 ALA H 3.400 . 3.400 2.991 2.271 3.791 0.391 8 0 "[ . 1 . ]" 1
290 2 17 ILE MD 2 46 PHE QB 5.000 . 5.000 2.226 1.335 3.855 . 0 0 "[ . 1 . ]" 1
291 2 17 ILE HG12 2 18 ALA H 5.000 . 5.000 4.948 4.510 5.109 0.109 17 0 "[ . 1 . ]" 1
292 2 17 ILE HG12 2 46 PHE QE 2.800 . 2.800 2.994 2.924 3.079 0.279 6 0 "[ . 1 . ]" 1
293 2 17 ILE HG12 2 46 PHE HZ 5.000 . 5.000 4.932 4.326 5.118 0.118 6 0 "[ . 1 . ]" 1
294 2 17 ILE MG 2 45 CYS QB 5.000 . 5.000 5.022 4.299 5.307 0.307 6 0 "[ . 1 . ]" 1
295 2 17 ILE MG 2 46 PHE H 5.000 . 5.000 5.017 4.712 5.167 0.167 1 0 "[ . 1 . ]" 1
296 2 18 ALA H 2 18 ALA HA 2.800 . 2.800 2.834 2.783 2.900 0.100 6 0 "[ . 1 . ]" 1
297 2 18 ALA H 2 18 ALA MB 3.400 . 3.400 2.220 2.069 2.292 . 0 0 "[ . 1 . ]" 1
298 2 18 ALA H 2 19 GLY H 3.400 . 3.400 2.649 2.350 3.322 . 0 0 "[ . 1 . ]" 1
299 2 18 ALA HA 2 21 VAL HB 3.400 . 3.400 3.285 2.791 3.532 0.132 6 0 "[ . 1 . ]" 1
300 2 18 ALA MB 2 19 GLY H 5.000 . 5.000 2.947 2.688 3.699 . 0 0 "[ . 1 . ]" 1
301 2 19 GLY H 2 19 GLY QA 2.800 . 2.800 2.250 2.217 2.487 . 0 0 "[ . 1 . ]" 1
302 2 19 GLY H 2 20 ALA H 3.400 . 3.400 2.360 1.823 2.473 . 0 0 "[ . 1 . ]" 1
303 2 19 GLY H 2 20 ALA HA 5.000 . 5.000 4.990 4.391 5.094 0.094 15 0 "[ . 1 . ]" 1
304 2 19 GLY QA 2 20 ALA H 3.400 . 3.400 2.786 2.706 2.844 . 0 0 "[ . 1 . ]" 1
305 2 19 GLY QA 2 21 VAL H 5.000 . 5.000 3.653 3.408 3.907 . 0 0 "[ . 1 . ]" 1
306 2 19 GLY QA 2 22 ALA H 5.000 . 5.000 3.594 3.267 3.843 . 0 0 "[ . 1 . ]" 1
307 2 19 GLY QA 2 22 ALA MB 5.000 . 5.000 3.426 2.833 3.792 . 0 0 "[ . 1 . ]" 1
308 2 20 ALA H 2 20 ALA HA 2.800 . 2.800 2.848 2.821 2.876 0.076 13 0 "[ . 1 . ]" 1
309 2 20 ALA H 2 20 ALA MB 3.400 . 3.400 2.178 2.090 2.259 . 0 0 "[ . 1 . ]" 1
310 2 20 ALA H 2 21 VAL H 3.400 . 3.400 2.467 2.331 2.580 . 0 0 "[ . 1 . ]" 1
311 2 20 ALA H 2 23 ALA MB 5.000 . 5.000 4.694 4.223 5.085 0.085 10 0 "[ . 1 . ]" 1
312 2 20 ALA HA 2 21 VAL H 3.400 . 3.400 3.412 3.306 3.465 0.065 10 0 "[ . 1 . ]" 1
313 2 20 ALA HA 2 23 ALA MB 2.800 . 2.800 2.358 1.975 2.763 . 0 0 "[ . 1 . ]" 1
314 2 20 ALA MB 2 21 VAL H 5.000 . 5.000 2.982 2.795 3.205 . 0 0 "[ . 1 . ]" 1
315 2 20 ALA MB 2 32 VAL HA 5.000 . 5.000 2.720 1.877 3.430 . 0 0 "[ . 1 . ]" 1
316 2 20 ALA MB 2 32 VAL MG1 5.000 . 5.000 1.869 1.641 2.241 . 0 0 "[ . 1 . ]" 1
317 2 20 ALA MB 2 36 LEU MD1 5.000 . 5.000 4.369 3.529 4.963 . 0 0 "[ . 1 . ]" 1
318 2 21 VAL H 2 21 VAL HB 2.800 . 2.800 2.390 2.175 2.601 . 0 0 "[ . 1 . ]" 1
319 2 21 VAL H 2 21 VAL MG1 3.400 . 3.400 3.594 2.126 3.722 0.322 10 0 "[ . 1 . ]" 1
320 2 21 VAL H 2 22 ALA H 2.800 . 2.800 2.636 2.482 2.755 . 0 0 "[ . 1 . ]" 1
321 2 21 VAL HA 2 22 ALA H 5.000 . 5.000 3.535 3.476 3.570 . 0 0 "[ . 1 . ]" 1
322 2 21 VAL HB 2 22 ALA H 3.400 . 3.400 2.667 2.351 3.730 0.330 9 0 "[ . 1 . ]" 1
323 2 21 VAL MG1 2 22 ALA H 5.000 . 5.000 3.222 1.909 3.791 . 0 0 "[ . 1 . ]" 1
324 2 21 VAL MG1 2 26 GLY H 5.000 . 5.000 3.199 2.338 5.082 0.082 10 0 "[ . 1 . ]" 1
325 2 21 VAL MG1 2 32 VAL MG1 5.000 . 5.000 4.535 3.863 5.042 0.042 4 0 "[ . 1 . ]" 1
326 2 22 ALA H 2 22 ALA HA 2.800 . 2.800 2.848 2.816 2.908 0.108 11 0 "[ . 1 . ]" 1
327 2 22 ALA H 2 22 ALA MB 2.800 . 2.800 2.132 2.033 2.261 . 0 0 "[ . 1 . ]" 1
328 2 22 ALA H 2 23 ALA H 2.800 . 2.800 2.535 2.209 2.699 . 0 0 "[ . 1 . ]" 1
329 2 23 ALA H 2 23 ALA HA 2.800 . 2.800 2.860 2.799 2.924 0.124 13 0 "[ . 1 . ]" 1
330 2 23 ALA H 2 23 ALA MB 2.800 . 2.800 2.185 2.035 2.432 . 0 0 "[ . 1 . ]" 1
331 2 23 ALA MB 2 24 CYS H 5.000 . 5.000 2.770 2.403 3.326 . 0 0 "[ . 1 . ]" 1
332 2 24 CYS H 2 24 CYS HB2 3.400 . 3.400 2.552 2.254 2.821 . 0 0 "[ . 1 . ]" 1
333 2 24 CYS H 2 25 GLY H 2.800 . 2.800 2.369 2.093 2.904 0.104 10 0 "[ . 1 . ]" 1
334 2 24 CYS H 2 25 GLY HA3 5.000 . 5.000 4.976 4.796 5.080 0.080 9 0 "[ . 1 . ]" 1
335 2 24 CYS H 2 32 VAL MG1 5.000 . 5.000 5.000 4.664 5.091 0.091 10 0 "[ . 1 . ]" 1
336 2 24 CYS HA 2 25 GLY H 5.000 . 5.000 3.323 2.462 3.549 . 0 0 "[ . 1 . ]" 1
337 2 24 CYS HB2 2 25 GLY H 5.000 . 5.000 3.847 3.238 4.513 . 0 0 "[ . 1 . ]" 1
338 2 24 CYS HB2 2 26 GLY H 5.000 . 5.000 4.563 2.901 5.097 0.097 10 0 "[ . 1 . ]" 1
339 2 25 GLY H 2 25 GLY HA2 2.800 . 2.800 2.369 2.296 2.624 . 0 0 "[ . 1 . ]" 1
340 2 25 GLY H 2 26 GLY H 3.400 . 3.400 2.520 2.010 3.501 0.101 1 0 "[ . 1 . ]" 1
341 2 25 GLY HA2 2 26 GLY H 5.000 . 5.000 2.899 2.622 3.575 . 0 0 "[ . 1 . ]" 1
342 2 25 GLY HA3 2 26 GLY H 5.000 . 5.000 3.439 2.712 3.567 . 0 0 "[ . 1 . ]" 1
343 2 26 GLY HA2 2 27 ILE H 5.000 . 5.000 2.403 2.161 2.651 . 0 0 "[ . 1 . ]" 1
344 2 26 GLY HA3 2 27 ILE H 5.000 . 5.000 2.886 2.500 3.544 . 0 0 "[ . 1 . ]" 1
345 2 27 ILE H 2 27 ILE HG12 5.000 . 5.000 4.428 2.734 4.873 . 0 0 "[ . 1 . ]" 1
346 2 27 ILE H 2 27 ILE HG13 5.000 . 5.000 4.327 2.534 4.888 . 0 0 "[ . 1 . ]" 1
347 2 27 ILE HA 2 28 ASP H 2.800 . 2.800 2.142 2.073 2.456 . 0 0 "[ . 1 . ]" 1
348 2 27 ILE HA 2 29 LEU H 5.500 . 5.500 5.202 4.200 5.813 0.313 12 0 "[ . 1 . ]" 1
349 2 27 ILE MD 2 46 PHE QD 5.000 . 5.000 4.435 3.711 5.158 0.158 17 0 "[ . 1 . ]" 1
350 2 27 ILE MD 2 46 PHE HZ 5.000 . 5.000 3.039 1.905 5.001 0.001 13 0 "[ . 1 . ]" 1
351 2 28 ASP H 2 28 ASP QB 3.400 . 3.400 2.873 2.580 3.329 . 0 0 "[ . 1 . ]" 1
352 2 28 ASP H 2 32 VAL MG1 5.000 . 5.000 3.863 3.362 4.570 . 0 0 "[ . 1 . ]" 1
353 2 29 LEU H 2 29 LEU QB 3.400 . 3.400 3.030 2.920 3.266 . 0 0 "[ . 1 . ]" 1
354 2 29 LEU H 2 29 LEU MD1 5.000 . 5.000 4.353 4.154 4.470 . 0 0 "[ . 1 . ]" 1
355 2 29 LEU H 2 29 LEU HG 5.000 . 5.000 4.713 4.552 5.236 0.236 9 0 "[ . 1 . ]" 1
356 2 29 LEU H 2 31 CYS HA 6.000 . 6.000 5.885 5.350 6.234 0.234 10 0 "[ . 1 . ]" 1
357 2 29 LEU HA 2 32 VAL H 5.000 . 5.000 3.655 3.248 4.121 . 0 0 "[ . 1 . ]" 1
358 2 29 LEU HA 2 33 LEU H 5.000 . 5.000 3.810 2.987 4.266 . 0 0 "[ . 1 . ]" 1
359 2 29 LEU HA 2 46 PHE HZ 3.400 . 3.400 3.048 2.127 3.502 0.102 4 0 "[ . 1 . ]" 1
360 2 29 LEU MD1 2 33 LEU HA 3.400 . 3.400 3.515 3.420 3.636 0.236 9 0 "[ . 1 . ]" 1
361 2 29 LEU MD1 2 36 LEU MD1 5.000 . 5.000 4.581 4.055 5.085 0.085 2 0 "[ . 1 . ]" 1
362 2 29 LEU MD1 2 46 PHE QD 5.000 . 5.000 3.727 2.734 4.640 . 0 0 "[ . 1 . ]" 1
363 2 29 LEU MD1 2 46 PHE QE 3.400 . 3.400 3.006 1.551 3.415 0.015 12 0 "[ . 1 . ]" 1
364 2 29 LEU MD1 2 46 PHE HZ 3.400 . 3.400 3.302 2.536 3.507 0.107 17 0 "[ . 1 . ]" 1
365 2 29 LEU MD1 2 47 CYS H 5.000 . 5.000 4.700 4.027 5.235 0.235 10 0 "[ . 1 . ]" 1
366 2 29 LEU MD1 2 55 CYS H 5.000 . 5.000 3.412 3.059 3.906 . 0 0 "[ . 1 . ]" 1
367 2 29 LEU MD1 2 56 LYS H 5.000 . 5.000 5.118 5.005 5.242 0.242 10 0 "[ . 1 . ]" 1
368 2 31 CYS H 2 31 CYS HA 2.800 . 2.800 2.887 2.830 2.929 0.129 16 0 "[ . 1 . ]" 1
369 2 31 CYS H 2 31 CYS QB 2.800 . 2.800 2.464 2.146 2.803 0.003 4 0 "[ . 1 . ]" 1
370 2 31 CYS H 2 32 VAL H . . 2.800 2.294 1.970 2.623 . 0 0 "[ . 1 . ]" 1
371 2 31 CYS HA 2 32 VAL H 5.000 . 5.000 3.486 3.387 3.528 . 0 0 "[ . 1 . ]" 1
372 2 31 CYS HA 2 33 LEU H 5.000 . 5.000 3.873 3.477 4.757 . 0 0 "[ . 1 . ]" 1
373 2 31 CYS HA 2 54 VAL MG1 5.000 . 5.000 5.082 4.742 5.229 0.229 5 0 "[ . 1 . ]" 1
374 2 31 CYS QB 2 32 VAL H 3.400 . 3.400 3.197 2.683 3.535 0.135 16 0 "[ . 1 . ]" 1
375 2 32 VAL H 2 32 VAL HB 2.800 . 2.800 2.744 2.488 2.976 0.176 8 0 "[ . 1 . ]" 1
376 2 32 VAL H 2 32 VAL MG1 3.400 . 3.400 3.661 3.566 3.713 0.313 1 0 "[ . 1 . ]" 1
377 2 32 VAL H 2 33 LEU H 3.400 . 3.400 2.640 2.535 2.775 . 0 0 "[ . 1 . ]" 1
378 2 32 VAL HA 2 33 LEU H 5.000 . 5.000 3.454 3.363 3.564 . 0 0 "[ . 1 . ]" 1
379 2 32 VAL HA 2 35 ALA H 5.000 . 5.000 3.759 3.388 4.021 . 0 0 "[ . 1 . ]" 1
380 2 32 VAL HA 2 35 ALA MB 5.000 . 5.000 3.833 2.968 4.689 . 0 0 "[ . 1 . ]" 1
381 2 32 VAL HB 2 33 LEU H 3.400 . 3.400 3.056 2.395 3.416 0.016 3 0 "[ . 1 . ]" 1
382 2 32 VAL MG1 2 33 LEU H 5.000 . 5.000 4.017 3.641 4.192 . 0 0 "[ . 1 . ]" 1
383 2 32 VAL MG1 2 36 LEU QB 5.000 . 5.000 3.551 1.857 5.054 0.054 5 0 "[ . 1 . ]" 1
384 2 32 VAL MG1 2 36 LEU MD1 5.000 . 5.000 3.822 2.611 4.614 . 0 0 "[ . 1 . ]" 1
385 2 32 VAL MG1 2 46 PHE QD 5.000 . 5.000 4.058 3.292 4.790 . 0 0 "[ . 1 . ]" 1
386 2 32 VAL MG2 2 46 PHE QE 5.000 . 5.000 3.751 3.072 4.727 . 0 0 "[ . 1 . ]" 1
387 2 32 VAL MG2 2 46 PHE HZ 5.000 . 5.000 3.487 2.588 4.340 . 0 0 "[ . 1 . ]" 1
388 2 33 LEU H 2 33 LEU QB 2.800 . 2.800 2.282 2.147 2.716 . 0 0 "[ . 1 . ]" 1
389 2 33 LEU H 2 33 LEU MD1 5.000 . 5.000 3.940 2.855 4.292 . 0 0 "[ . 1 . ]" 1
390 2 33 LEU H 2 33 LEU HG 5.000 . 5.000 4.022 1.919 4.541 . 0 0 "[ . 1 . ]" 1
391 2 33 LEU H 2 34 ALA H 3.400 . 3.400 2.708 2.488 3.144 . 0 0 "[ . 1 . ]" 1
392 2 33 LEU H 2 35 ALA H 5.000 . 5.000 4.585 4.162 5.043 0.043 3 0 "[ . 1 . ]" 1
393 2 33 LEU HA 2 34 ALA H 5.000 . 5.000 3.499 3.417 3.548 . 0 0 "[ . 1 . ]" 1
394 2 33 LEU HA 2 36 LEU MD1 5.000 . 5.000 4.236 3.276 5.023 0.023 4 0 "[ . 1 . ]" 1
395 2 33 LEU MD1 2 54 VAL MG1 5.000 . 5.000 4.062 2.652 5.056 0.056 15 0 "[ . 1 . ]" 1
396 2 33 LEU HG 2 34 ALA H 5.000 . 5.000 4.137 2.612 5.107 0.107 7 0 "[ . 1 . ]" 1
397 2 34 ALA H 2 34 ALA MB 3.400 . 3.400 2.136 2.031 2.234 . 0 0 "[ . 1 . ]" 1
398 2 34 ALA H 2 35 ALA H 3.400 . 3.400 2.843 2.591 3.122 . 0 0 "[ . 1 . ]" 1
399 2 34 ALA HA 2 35 ALA H 5.000 . 5.000 3.535 3.383 3.584 . 0 0 "[ . 1 . ]" 1
400 2 35 ALA H 2 35 ALA MB 2.800 . 2.800 2.226 2.090 2.467 . 0 0 "[ . 1 . ]" 1
401 2 35 ALA H 2 36 LEU H . . 2.800 2.452 2.202 2.745 . 0 0 "[ . 1 . ]" 1
402 2 36 LEU H 2 36 LEU QB 2.800 . 2.800 2.317 2.202 2.698 . 0 0 "[ . 1 . ]" 1
403 2 36 LEU H 2 36 LEU MD1 5.000 . 5.000 4.144 3.911 4.445 . 0 0 "[ . 1 . ]" 1
404 2 36 LEU H 2 37 LYS H 3.400 . 3.400 2.447 2.088 3.461 0.061 17 0 "[ . 1 . ]" 1
405 2 36 LEU HA 2 37 LYS H 5.000 . 5.000 3.353 2.435 3.554 . 0 0 "[ . 1 . ]" 1
406 2 36 LEU MD1 2 37 LYS HA 5.500 . 5.500 5.167 4.611 5.767 0.267 5 0 "[ . 1 . ]" 1
407 2 36 LEU MD1 2 42 CYS HB2 5.000 . 5.000 4.147 2.628 5.053 0.053 15 0 "[ . 1 . ]" 1
408 2 36 LEU MD1 2 42 CYS HB3 5.000 . 5.000 3.900 2.141 5.037 0.037 7 0 "[ . 1 . ]" 1
409 2 36 LEU MD1 2 46 PHE H 5.000 . 5.000 4.580 3.838 5.114 0.114 9 0 "[ . 1 . ]" 1
410 2 36 LEU MD1 2 46 PHE HB2 5.000 . 5.000 3.610 2.991 5.194 0.194 10 0 "[ . 1 . ]" 1
411 2 37 LYS H 2 37 LYS HB2 3.400 . 3.400 2.561 2.212 3.531 0.131 12 0 "[ . 1 . ]" 1
412 2 37 LYS H 2 37 LYS HG2 5.000 . 5.000 4.033 2.362 4.923 . 0 0 "[ . 1 . ]" 1
413 2 37 LYS H 2 37 LYS HG3 5.000 . 5.000 3.737 1.857 5.017 0.017 8 0 "[ . 1 . ]" 1
414 2 42 CYS HA 2 45 CYS H 5.000 . 5.000 4.552 3.701 5.217 0.217 9 0 "[ . 1 . ]" 1
415 2 43 ALA HA 2 46 PHE H 5.000 . 5.000 3.656 2.849 5.152 0.152 1 0 "[ . 1 . ]" 1
416 2 44 SER QB 2 45 CYS H 5.000 . 5.000 3.204 2.306 3.893 . 0 0 "[ . 1 . ]" 1
417 2 45 CYS H 2 45 CYS QB 2.800 . 2.800 2.514 2.157 2.873 0.073 6 0 "[ . 1 . ]" 1
418 2 45 CYS H 2 46 PHE H 3.400 . 3.400 2.478 1.764 2.973 . 0 0 "[ . 1 . ]" 1
419 2 45 CYS HA 2 46 PHE H 5.000 . 5.000 3.488 3.386 3.560 . 0 0 "[ . 1 . ]" 1
420 2 45 CYS HA 2 48 GLU H 5.000 . 5.000 4.776 3.876 5.247 0.247 1 0 "[ . 1 . ]" 1
421 2 45 CYS QB 2 46 PHE H 3.400 . 3.400 3.044 2.360 3.524 0.124 12 0 "[ . 1 . ]" 1
422 2 46 PHE H 2 46 PHE QB 2.800 . 2.800 2.236 2.106 2.508 . 0 0 "[ . 1 . ]" 1
423 2 46 PHE H 2 47 CYS H 5.000 . 5.000 2.869 2.124 4.374 . 0 0 "[ . 1 . ]" 1
424 2 46 PHE QB 2 47 CYS H 2.800 . 2.800 2.146 1.525 3.206 0.406 10 0 "[ . 1 . ]" 1
425 2 47 CYS H 2 47 CYS HB2 3.400 . 3.400 2.643 2.076 3.561 0.161 1 0 "[ . 1 . ]" 1
426 2 47 CYS H 2 48 GLU H . . 3.400 3.198 2.841 3.514 0.114 5 0 "[ . 1 . ]" 1
427 2 47 CYS HB3 2 61 CYS HB2 5.000 . 5.000 4.223 3.506 5.032 0.032 16 0 "[ . 1 . ]" 1
428 2 47 CYS HB3 2 61 CYS HB3 3.400 . 3.400 3.167 2.123 3.639 0.239 16 0 "[ . 1 . ]" 1
429 2 48 GLU H 2 48 GLU QG 5.000 . 5.000 3.837 2.746 4.074 . 0 0 "[ . 1 . ]" 1
430 2 48 GLU H 2 49 ASP H 3.400 . 3.400 2.926 2.515 3.432 0.032 5 0 "[ . 1 . ]" 1
431 2 48 GLU HA 2 49 ASP H 5.000 . 5.000 3.551 3.403 3.592 . 0 0 "[ . 1 . ]" 1
432 2 48 GLU HA 2 61 CYS HB2 3.400 . 3.400 3.405 2.855 3.664 0.264 5 0 "[ . 1 . ]" 1
433 2 48 GLU HA 2 61 CYS HB3 3.400 . 3.400 3.550 3.439 3.697 0.297 16 0 "[ . 1 . ]" 1
434 2 48 GLU QG 2 49 ASP H 5.000 . 5.000 3.360 2.420 4.100 . 0 0 "[ . 1 . ]" 1
435 2 48 GLU QG 2 50 HIS H 5.000 . 5.000 4.984 4.230 5.294 0.294 14 0 "[ . 1 . ]" 1
436 2 49 ASP H 2 49 ASP QB 2.800 . 2.800 2.375 2.249 2.732 . 0 0 "[ . 1 . ]" 1
437 2 49 ASP H 2 50 HIS H 2.800 . 2.800 2.253 2.048 2.673 . 0 0 "[ . 1 . ]" 1
438 2 50 HIS H 2 51 CYS H 5.000 . 5.000 3.691 2.881 4.098 . 0 0 "[ . 1 . ]" 1
439 2 51 CYS H 2 51 CYS QB 3.400 . 3.400 2.496 2.196 2.722 . 0 0 "[ . 1 . ]" 1
440 2 51 CYS H 2 52 HIS HA 5.000 . 5.000 4.914 4.491 5.165 0.165 14 0 "[ . 1 . ]" 1
441 2 52 HIS H 2 52 HIS HA 2.800 . 2.800 2.897 2.832 2.928 0.128 1 0 "[ . 1 . ]" 1
442 2 52 HIS H 2 52 HIS HB2 3.800 . 3.800 3.669 2.770 3.994 0.194 14 0 "[ . 1 . ]" 1
443 2 52 HIS H 2 55 CYS H 5.000 . 5.000 4.734 4.169 5.075 0.075 13 0 "[ . 1 . ]" 1
444 2 52 HIS H 2 56 LYS H 5.000 . 5.000 4.460 3.658 4.886 . 0 0 "[ . 1 . ]" 1
445 2 54 VAL HA 2 57 ASP H 5.000 . 5.000 3.423 2.879 4.059 . 0 0 "[ . 1 . ]" 1
446 2 54 VAL HA 2 57 ASP HB2 3.400 . 3.400 2.706 1.869 3.424 0.024 15 0 "[ . 1 . ]" 1
447 2 54 VAL HA 2 57 ASP HB3 3.400 . 3.400 3.361 2.536 3.557 0.157 5 0 "[ . 1 . ]" 1
448 2 55 CYS H 2 55 CYS HB2 3.400 . 3.400 2.394 2.083 2.805 . 0 0 "[ . 1 . ]" 1
449 2 55 CYS H 2 56 LYS H 3.400 . 3.400 2.447 1.744 2.926 . 0 0 "[ . 1 . ]" 1
450 2 55 CYS HA 2 60 LEU MD1 5.000 . 5.000 3.755 2.552 5.127 0.127 15 0 "[ . 1 . ]" 1
451 2 55 CYS HB2 2 56 LYS H 3.800 . 3.800 3.706 2.920 4.016 0.216 15 0 "[ . 1 . ]" 1
452 2 55 CYS HB3 2 56 LYS H 5.000 . 5.000 3.056 2.379 3.663 . 0 0 "[ . 1 . ]" 1
453 2 56 LYS H 2 56 LYS QB 3.400 . 3.400 2.509 2.145 3.006 . 0 0 "[ . 1 . ]" 1
454 2 56 LYS H 2 56 LYS QG 3.500 . 3.500 2.803 1.814 3.915 0.415 9 0 "[ . 1 . ]" 1
455 2 56 LYS H 2 57 ASP H 2.800 . 2.800 2.389 2.121 2.819 0.019 14 0 "[ . 1 . ]" 1
456 2 56 LYS QB 2 57 ASP H 5.000 . 5.000 3.492 2.966 4.063 . 0 0 "[ . 1 . ]" 1
457 2 56 LYS QG 2 57 ASP H 5.000 . 5.000 3.602 2.486 4.585 . 0 0 "[ . 1 . ]" 1
458 2 57 ASP H 2 57 ASP HB2 3.400 . 3.400 2.514 2.242 2.960 . 0 0 "[ . 1 . ]" 1
459 2 57 ASP H 2 58 LEU H 5.000 . 5.000 2.717 2.185 4.251 . 0 0 "[ . 1 . ]" 1
460 2 57 ASP HB3 2 58 LEU H 5.000 . 5.000 2.810 2.424 4.368 . 0 0 "[ . 1 . ]" 1
461 2 58 LEU H 2 58 LEU QB 3.400 . 3.400 2.444 2.182 3.082 . 0 0 "[ . 1 . ]" 1
462 2 58 LEU H 2 58 LEU MD1 5.000 . 5.000 4.010 3.646 4.342 . 0 0 "[ . 1 . ]" 1
463 2 58 LEU H 2 58 LEU HG 5.000 . 5.000 3.815 2.265 4.901 . 0 0 "[ . 1 . ]" 1
464 2 58 LEU H 2 59 HIS H . . 3.400 2.504 1.928 3.500 0.100 8 0 "[ . 1 . ]" 1
465 2 58 LEU QB 2 59 HIS H 5.000 . 5.000 2.693 1.782 3.933 . 0 0 "[ . 1 . ]" 1
466 2 59 HIS H 2 59 HIS HA 2.800 . 2.800 2.444 2.249 2.916 0.116 8 0 "[ . 1 . ]" 1
467 2 59 HIS H 2 60 LEU MD1 5.000 . 5.000 4.442 2.532 5.155 0.155 5 0 "[ . 1 . ]" 1
468 2 60 LEU H 2 60 LEU HA 2.800 . 2.800 2.906 2.842 2.927 0.127 6 0 "[ . 1 . ]" 1
469 2 60 LEU H 2 60 LEU HB2 3.400 . 3.400 3.025 2.464 3.794 0.394 3 0 "[ . 1 . ]" 1
470 2 60 LEU H 2 60 LEU MD1 5.000 . 5.000 3.624 1.533 4.653 . 0 0 "[ . 1 . ]" 1
471 2 60 LEU H 2 60 LEU HG 5.000 . 5.000 3.268 2.151 4.861 . 0 0 "[ . 1 . ]" 1
472 2 60 LEU H 2 61 CYS H 2.800 . 2.800 2.165 1.723 2.801 0.001 15 0 "[ . 1 . ]" 1
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