NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
618183 |
5xk5   |
36082 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5xk5
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 459
_Distance_constraint_stats_list.Viol_count 1932
_Distance_constraint_stats_list.Viol_total 8402.078
_Distance_constraint_stats_list.Viol_max 0.490
_Distance_constraint_stats_list.Viol_rms 0.0647
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0203
_Distance_constraint_stats_list.Viol_average_violations_only 0.1450
_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 1 MET 12.011 0.363 10 0 "[ . 1 . 2 . 3]"
1 2 GLN 3.296 0.363 10 0 "[ . 1 . 2 . 3]"
1 3 ILE 10.831 0.238 26 0 "[ . 1 . 2 . 3]"
1 4 PHE 1.910 0.108 11 0 "[ . 1 . 2 . 3]"
1 5 VAL 20.400 0.216 9 0 "[ . 1 . 2 . 3]"
1 6 LYS 10.689 0.202 11 0 "[ . 1 . 2 . 3]"
1 7 THR 0.065 0.040 7 0 "[ . 1 . 2 . 3]"
1 11 LYS 0.065 0.040 7 0 "[ . 1 . 2 . 3]"
1 12 THR 4.526 0.216 9 0 "[ . 1 . 2 . 3]"
1 13 ILE 3.548 0.211 2 0 "[ . 1 . 2 . 3]"
1 14 THR 5.909 0.211 2 0 "[ . 1 . 2 . 3]"
1 15 LEU 4.947 0.274 30 0 "[ . 1 . 2 . 3]"
1 16 GLU 4.200 0.201 16 0 "[ . 1 . 2 . 3]"
1 17 VAL 29.165 0.373 20 0 "[ . 1 . 2 . 3]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 21 ASP 16.438 0.352 30 0 "[ . 1 . 2 . 3]"
1 22 THR 1.073 0.137 1 0 "[ . 1 . 2 . 3]"
1 23 ILE 0.474 0.054 21 0 "[ . 1 . 2 . 3]"
1 24 GLU 0.188 0.089 18 0 "[ . 1 . 2 . 3]"
1 25 ASN 4.205 0.290 23 0 "[ . 1 . 2 . 3]"
1 26 VAL 11.496 0.352 30 0 "[ . 1 . 2 . 3]"
1 27 LYS 12.147 0.431 17 0 "[ . 1 . 2 . 3]"
1 28 ALA 11.832 0.431 17 0 "[ . 1 . 2 . 3]"
1 29 LYS 6.335 0.373 20 0 "[ . 1 . 2 . 3]"
1 30 ILE 17.033 0.408 10 0 "[ . 1 . 2 . 3]"
1 31 GLN 0.772 0.087 23 0 "[ . 1 . 2 . 3]"
1 32 ASP 0.583 0.087 23 0 "[ . 1 . 2 . 3]"
1 33 LYS 0.729 0.094 9 0 "[ . 1 . 2 . 3]"
1 34 GLU 0.166 0.024 8 0 "[ . 1 . 2 . 3]"
1 35 GLY 0.166 0.024 8 0 "[ . 1 . 2 . 3]"
1 36 ILE 14.459 0.406 29 0 "[ . 1 . 2 . 3]"
1 38 PRO 8.190 0.318 24 0 "[ . 1 . 2 . 3]"
1 39 ASP 1.653 0.101 8 0 "[ . 1 . 2 . 3]"
1 40 GLN 3.466 0.194 9 0 "[ . 1 . 2 . 3]"
1 41 GLN 0.626 0.073 29 0 "[ . 1 . 2 . 3]"
1 42 ARG 2.599 0.171 20 0 "[ . 1 . 2 . 3]"
1 43 LEU 0.545 0.105 5 0 "[ . 1 . 2 . 3]"
1 44 ILE 12.338 0.300 24 0 "[ . 1 . 2 . 3]"
1 45 PHE 0.821 0.197 17 0 "[ . 1 . 2 . 3]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 48 LYS 1.542 0.155 17 0 "[ . 1 . 2 . 3]"
1 49 GLN 15.377 0.272 27 0 "[ . 1 . 2 . 3]"
1 50 LEU 4.119 0.197 17 0 "[ . 1 . 2 . 3]"
1 51 GLU 9.297 0.238 10 0 "[ . 1 . 2 . 3]"
1 52 ASP 13.329 0.282 21 0 "[ . 1 . 2 . 3]"
1 54 ARG 3.452 0.220 14 0 "[ . 1 . 2 . 3]"
1 55 THR 3.002 0.090 18 0 "[ . 1 . 2 . 3]"
1 56 LEU 13.274 0.267 24 0 "[ . 1 . 2 . 3]"
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 59 TYR 1.889 0.133 22 0 "[ . 1 . 2 . 3]"
1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 61 ILE 7.722 0.229 27 0 "[ . 1 . 2 . 3]"
1 62 GLN 6.567 0.231 25 0 "[ . 1 . 2 . 3]"
1 63 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 64 GLU 5.320 0.238 26 0 "[ . 1 . 2 . 3]"
1 66 THR 1.798 0.062 1 0 "[ . 1 . 2 . 3]"
1 67 LEU 7.451 0.271 5 0 "[ . 1 . 2 . 3]"
1 68 HIS 14.326 0.275 30 0 "[ . 1 . 2 . 3]"
1 69 LEU 29.371 0.490 11 0 "[ . 1 . 2 . 3]"
1 70 VAL 13.801 0.490 11 0 "[ . 1 . 2 . 3]"
1 71 LEU 11.166 0.452 8 0 "[ . 1 . 2 . 3]"
1 72 ARG 4.129 0.246 28 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 1 MET QB 2.082 . 2.624 2.207 2.192 2.309 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 1 MET HA 1 1 MET QB 2.470 . 3.233 2.157 2.143 2.242 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 1 MET HA 1 2 GLN H 2.432 . 3.171 2.367 2.150 2.495 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 1 MET QB 1 2 GLN H 2.631 . 3.497 2.672 2.285 3.860 0.363 10 0 "[ . 1 . 2 . 3]" 1
5 1 1 MET ME 1 17 VAL MG1 3.824 3.260 4.388 4.521 4.404 4.584 0.196 30 0 "[ . 1 . 2 . 3]" 1
6 1 1 MET ME 1 56 LEU MD1 3.504 2.702 4.306 4.391 4.328 4.466 0.160 30 0 "[ . 1 . 2 . 3]" 1
7 1 1 MET ME 1 61 ILE H 3.800 . 6.000 4.833 4.477 5.056 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 1 MET ME 1 61 ILE MG 2.452 . 3.203 2.586 2.386 2.842 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 1 MET ME 1 62 GLN HA 2.419 . 3.150 3.306 3.196 3.381 0.231 25 0 "[ . 1 . 2 . 3]" 1
10 1 1 MET QG 1 17 VAL MG1 3.571 2.540 4.602 4.446 4.263 4.632 0.030 14 0 "[ . 1 . 2 . 3]" 1
11 1 2 GLN H 1 2 GLN HA 2.816 . 3.808 2.966 2.962 2.972 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 2 GLN H 1 2 GLN HB2 2.949 . 4.036 2.983 2.431 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 2 GLN H 1 2 GLN HB3 2.658 . 3.541 3.384 2.525 3.745 0.204 10 0 "[ . 1 . 2 . 3]" 1
14 1 2 GLN HA 1 2 GLN HB2 2.663 . 3.549 2.791 2.419 3.032 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 2 GLN HA 1 2 GLN HB3 2.597 . 3.440 2.507 2.389 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 2 GLN HA 1 3 ILE H 2.314 . 2.983 2.299 2.193 2.353 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 2 GLN HA 1 17 VAL H 3.355 . 4.762 3.177 2.927 3.442 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 2 GLN HB2 1 3 ILE H 2.921 . 3.987 3.381 2.575 4.000 0.013 23 0 "[ . 1 . 2 . 3]" 1
19 1 3 ILE H 1 3 ILE MD 2.824 . 3.821 3.929 2.375 4.027 0.206 15 0 "[ . 1 . 2 . 3]" 1
20 1 3 ILE H 1 3 ILE MG 2.670 . 3.561 3.349 3.308 3.394 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 3 ILE H 1 14 THR MG 2.815 . 3.806 3.016 2.700 3.966 0.160 30 0 "[ . 1 . 2 . 3]" 1
22 1 3 ILE HA 1 3 ILE MD 3.387 2.675 4.099 4.078 3.387 4.113 0.014 15 0 "[ . 1 . 2 . 3]" 1
23 1 3 ILE HA 1 3 ILE MG 2.676 . 3.571 2.219 2.201 2.274 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 3 ILE HA 1 4 PHE H 2.312 . 2.980 2.461 2.366 2.503 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 3 ILE HA 1 64 GLU H 2.955 . 4.046 3.057 2.817 3.233 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 3 ILE HB 1 4 PHE H 2.579 . 3.410 2.179 2.109 2.371 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 3 ILE MD 1 4 PHE H 4.859 3.837 5.881 4.350 4.258 4.723 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 3 ILE MD 1 17 VAL HB 3.883 2.584 5.182 4.717 4.065 5.158 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 3 ILE MD 1 56 LEU MD2 2.884 2.341 3.427 2.960 2.839 3.153 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 3 ILE MD 1 63 LYS HA 3.519 2.226 4.812 4.449 3.918 4.603 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 3 ILE MD 1 64 GLU H 3.174 . 4.433 4.593 3.899 4.671 0.238 26 0 "[ . 1 . 2 . 3]" 1
32 1 3 ILE MG 1 4 PHE H 3.800 3.000 4.600 3.457 3.313 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 4 PHE H 1 4 PHE HB2 2.903 . 3.956 2.556 2.467 2.674 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 4 PHE H 1 4 PHE HB3 3.091 . 4.285 3.714 3.679 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 4 PHE H 1 14 THR MG 3.135 . 4.364 4.416 4.323 4.472 0.108 11 0 "[ . 1 . 2 . 3]" 1
36 1 4 PHE H 1 64 GLU H 4.398 2.955 5.841 5.143 4.923 5.336 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 4 PHE H 1 66 THR HA 2.843 . 3.853 3.539 3.116 3.708 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 4 PHE HA 1 4 PHE HB3 2.873 . 3.904 2.447 2.378 2.500 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 4 PHE HA 1 4 PHE HD1 2.947 . 4.033 3.988 3.809 4.082 0.049 1 0 "[ . 1 . 2 . 3]" 1
40 1 4 PHE HA 1 5 VAL H 2.469 . 3.231 2.207 2.185 2.223 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 4 PHE HA 1 5 VAL MG2 3.224 . 4.524 3.793 3.660 3.879 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 4 PHE HA 1 12 THR MG 3.269 . 4.604 3.740 3.628 3.839 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 4 PHE HA 1 14 THR HA 3.086 . 4.277 2.393 2.318 2.586 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 4 PHE HA 1 15 LEU H 3.537 . 5.101 3.615 3.480 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 4 PHE HB2 1 66 THR MG 3.213 2.359 4.067 3.641 3.165 3.927 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 4 PHE HB3 1 4 PHE HD1 3.686 . 5.384 3.696 3.647 3.740 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 4 PHE HB3 1 5 VAL H 3.188 . 4.458 3.035 2.955 3.134 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 4 PHE HB3 1 12 THR MG 2.532 . 3.334 2.303 2.205 2.440 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 5 VAL H 1 5 VAL HB 2.741 . 3.680 2.482 2.440 2.516 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 5 VAL H 1 5 VAL MG1 2.878 2.110 3.646 3.740 3.711 3.780 0.134 2 0 "[ . 1 . 2 . 3]" 1
51 1 5 VAL H 1 5 VAL MG2 2.757 . 3.707 2.963 2.846 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 5 VAL H 1 6 LYS H 3.314 . 4.687 4.319 4.250 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 5 VAL H 1 12 THR HA 2.946 . 4.031 4.113 4.024 4.247 0.216 9 0 "[ . 1 . 2 . 3]" 1
54 1 5 VAL H 1 12 THR MG 3.040 . 4.195 3.404 3.271 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 5 VAL H 1 13 ILE H 2.838 . 3.845 2.722 2.660 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 5 VAL HA 1 5 VAL MG1 2.822 2.089 3.555 2.446 2.397 2.482 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 5 VAL HA 1 6 LYS H 2.487 . 3.260 2.098 2.075 2.118 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 5 VAL HA 1 66 THR HA 4.574 3.468 5.680 4.147 3.926 4.300 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 5 VAL HB 1 5 VAL MG1 2.806 2.303 3.309 2.156 2.154 2.160 0.149 17 0 "[ . 1 . 2 . 3]" 1
60 1 5 VAL HB 1 5 VAL MG2 2.882 2.340 3.424 2.155 2.146 2.161 0.194 15 0 "[ . 1 . 2 . 3]" 1
61 1 5 VAL HB 1 6 LYS H 3.297 . 4.656 4.293 4.232 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 5 VAL MG1 1 7 THR MG 3.299 2.480 4.118 2.662 2.597 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 5 VAL MG1 1 13 ILE H 3.063 . 4.236 4.115 3.930 4.264 0.028 25 0 "[ . 1 . 2 . 3]" 1
64 1 5 VAL MG1 1 69 LEU HB2 . 2.328 2.609 2.351 2.209 2.571 0.119 28 0 "[ . 1 . 2 . 3]" 1
65 1 5 VAL MG2 1 6 LYS H 2.805 . 3.635 3.778 3.735 3.829 0.194 2 0 "[ . 1 . 2 . 3]" 1
66 1 6 LYS H 1 6 LYS QG 2.832 . 3.834 3.767 2.860 4.036 0.202 11 0 "[ . 1 . 2 . 3]" 1
67 1 6 LYS H 1 69 LEU H 3.683 2.501 4.499 4.036 3.785 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 6 LYS HA 1 6 LYS HB3 2.634 . 3.501 2.910 2.530 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 6 LYS HA 1 6 LYS QG 2.553 . 3.368 2.276 2.234 2.577 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 6 LYS HA 1 7 THR H 2.278 . 2.927 2.185 2.171 2.203 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 6 LYS QG 1 12 THR HA 2.805 . 3.788 3.739 3.096 3.926 0.138 16 0 "[ . 1 . 2 . 3]" 1
72 1 7 THR H 1 7 THR MG 2.852 2.218 3.486 2.351 2.218 2.747 . 30 0 "[ . 1 . 2 . 3]" 1
73 1 7 THR HA 1 7 THR MG 2.027 . 2.540 2.450 2.345 2.505 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 7 THR HA 1 69 LEU H 3.500 2.501 4.499 3.416 3.270 3.641 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 7 THR MG 1 11 LYS QB 3.299 2.480 4.118 2.649 2.440 3.285 0.040 7 0 "[ . 1 . 2 . 3]" 1
76 1 7 THR MG 1 69 LEU HB2 3.299 2.480 4.118 3.469 3.245 3.768 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 12 THR HA 1 12 THR HB 2.805 . 3.789 3.032 3.023 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 12 THR HA 1 12 THR MG 2.859 2.164 3.554 2.288 2.245 2.321 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 12 THR HA 1 13 ILE H 2.372 . 3.075 2.093 2.079 2.108 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 12 THR HA 1 13 ILE MG 2.868 . 3.896 3.747 3.645 3.896 0.000 15 0 "[ . 1 . 2 . 3]" 1
81 1 12 THR MG 1 13 ILE H 2.693 . 3.600 2.712 2.644 2.795 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 13 ILE H 1 13 ILE HB 2.847 . 3.860 3.426 3.124 3.847 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 13 ILE HA 1 13 ILE HB 2.452 . 3.203 2.503 2.481 2.534 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 13 ILE HA 1 13 ILE MG 2.844 2.215 3.473 2.815 2.232 3.195 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 13 ILE HA 1 14 THR H 2.491 . 3.267 2.199 2.188 2.213 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 13 ILE HB 1 14 THR H 3.024 . 4.167 3.627 2.889 4.142 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 13 ILE MG 1 14 THR H 2.678 . 3.575 3.692 3.649 3.786 0.211 2 0 "[ . 1 . 2 . 3]" 1
88 1 14 THR H 1 14 THR MG 3.255 2.502 4.008 3.675 2.915 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 14 THR HA 1 15 LEU H 2.377 . 3.083 2.144 2.129 2.163 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 14 THR MG 1 15 LEU H 2.646 . 3.521 2.578 2.304 3.540 0.019 12 0 "[ . 1 . 2 . 3]" 1
91 1 15 LEU H 1 15 LEU HB2 2.428 . 3.165 2.436 2.380 2.571 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 15 LEU H 1 15 LEU MD1 2.622 . 3.481 3.312 3.041 3.755 0.274 30 0 "[ . 1 . 2 . 3]" 1
93 1 15 LEU HA 1 15 LEU HB2 2.804 . 3.787 2.918 2.782 2.958 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 15 LEU HA 1 15 LEU HB3 2.739 . 3.677 2.840 2.777 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 15 LEU HA 1 16 GLU H 2.259 . 2.897 2.239 2.201 2.347 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 15 LEU HB2 1 15 LEU MD1 2.210 . 2.821 2.283 2.243 2.356 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 15 LEU HB3 1 15 LEU MD1 2.851 2.160 3.542 3.206 3.175 3.215 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 15 LEU HB3 1 16 GLU H 2.747 . 3.690 3.180 2.904 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 15 LEU MD1 1 15 LEU MD2 2.885 2.041 3.729 2.068 2.040 2.087 0.001 12 0 "[ . 1 . 2 . 3]" 1
100 1 15 LEU MD1 1 16 GLU H 2.812 . 3.800 3.940 3.790 4.001 0.201 16 0 "[ . 1 . 2 . 3]" 1
101 1 15 LEU MD2 1 29 LYS HB2 3.215 2.360 4.070 2.682 2.316 3.040 0.044 8 0 "[ . 1 . 2 . 3]" 1
102 1 15 LEU MD2 1 30 ILE MD 3.299 2.480 4.118 3.075 2.267 3.514 0.213 30 0 "[ . 1 . 2 . 3]" 1
103 1 16 GLU HA 1 17 VAL H 2.390 . 3.104 2.141 2.125 2.154 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 16 GLU HA 1 17 VAL MG1 2.977 . 4.085 3.289 3.250 3.327 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 16 GLU QB 1 17 VAL H 3.042 . 4.199 3.484 3.260 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 16 GLU QG 1 17 VAL H 3.805 2.521 5.089 3.790 2.675 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 17 VAL H 1 17 VAL MG1 2.574 . 3.402 2.608 2.570 2.666 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 17 VAL H 1 17 VAL MG2 2.983 . 4.096 2.558 2.526 2.604 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 17 VAL HA 1 17 VAL HB 2.206 . 2.814 2.322 2.313 2.336 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 17 VAL HA 1 17 VAL MG1 2.933 . 4.008 2.580 2.553 2.603 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 17 VAL HA 1 17 VAL MG2 2.214 . 2.827 3.167 3.160 3.176 0.349 7 0 "[ . 1 . 2 . 3]" 1
112 1 17 VAL HB 1 17 VAL MG1 2.864 2.223 3.505 2.147 2.142 2.151 0.081 18 0 "[ . 1 . 2 . 3]" 1
113 1 17 VAL HB 1 17 VAL MG2 2.803 2.341 3.030 2.147 2.141 2.151 0.200 18 0 "[ . 1 . 2 . 3]" 1
114 1 17 VAL HB 1 18 GLU H . 2.400 3.056 2.542 2.482 2.608 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 17 VAL MG1 1 18 GLU H 3.489 2.715 4.263 3.965 3.926 3.998 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 17 VAL MG1 1 29 LYS HD2 2.611 . 3.463 2.289 2.246 2.382 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 17 VAL MG2 1 18 GLU H 2.524 . 3.320 2.890 2.772 2.982 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 17 VAL MG2 1 21 ASP H 3.073 . 4.254 4.254 4.175 4.336 0.082 13 0 "[ . 1 . 2 . 3]" 1
119 1 17 VAL MG2 1 29 LYS HD2 3.556 2.683 4.429 4.639 4.554 4.802 0.373 20 0 "[ . 1 . 2 . 3]" 1
120 1 18 GLU H 1 18 GLU HB2 2.484 . 3.255 2.420 2.299 2.707 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 18 GLU HA 1 18 GLU HB2 2.482 . 3.252 3.021 3.011 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 18 GLU HA 1 19 PRO HD2 2.399 . 3.118 2.421 2.323 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 18 GLU HB3 1 20 SER H 3.043 . 4.200 2.570 2.368 3.020 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 19 PRO HA 1 20 SER H 2.816 . 3.807 3.442 3.408 3.542 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 20 SER H 1 21 ASP H 2.831 . 3.833 2.420 2.335 2.693 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 20 SER HA 1 21 ASP H 3.115 . 4.328 3.244 3.211 3.278 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 21 ASP H 1 21 ASP HA 2.814 . 3.804 2.834 2.821 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 21 ASP H 1 21 ASP HB2 2.457 . 3.211 2.218 2.205 2.263 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 21 ASP H 1 21 ASP HB3 2.494 . 3.272 3.504 3.496 3.514 0.242 13 0 "[ . 1 . 2 . 3]" 1
130 1 21 ASP H 1 55 THR MG 3.305 . 4.670 4.672 4.587 4.743 0.073 8 0 "[ . 1 . 2 . 3]" 1
131 1 21 ASP HA 1 21 ASP HB2 2.479 . 3.247 3.008 3.004 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 21 ASP HA 1 21 ASP HB3 2.415 . 3.144 2.624 2.576 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 21 ASP HA 1 22 THR H 2.369 . 3.070 2.247 2.214 2.270 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 21 ASP HB2 1 22 THR H 3.008 . 4.139 4.140 4.102 4.175 0.036 3 0 "[ . 1 . 2 . 3]" 1
135 1 21 ASP HB3 1 22 THR H 2.994 . 4.115 2.962 2.896 3.072 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 21 ASP HB3 1 26 VAL MG1 3.287 2.384 4.190 4.466 4.416 4.542 0.352 30 0 "[ . 1 . 2 . 3]" 1
137 1 21 ASP HB3 1 26 VAL MG2 2.766 . 3.722 2.046 2.028 2.097 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 22 THR H 1 22 THR MG 2.877 2.110 3.644 2.348 2.141 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 22 THR H 1 25 ASN HB3 2.917 2.041 3.679 3.010 2.377 3.816 0.137 1 0 "[ . 1 . 2 . 3]" 1
140 1 22 THR HA 1 55 THR MG 2.811 2.143 3.479 3.138 3.013 3.258 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 22 THR HB 1 22 THR MG 2.015 . 2.523 2.144 2.139 2.148 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 22 THR HB 1 23 ILE H 2.444 . 3.191 2.774 2.679 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 22 THR HB 1 24 GLU H 3.857 . 5.717 2.572 2.439 2.756 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 22 THR MG 1 55 THR HA 2.787 . 3.758 3.333 3.187 3.454 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 23 ILE H 1 23 ILE HA 2.808 . 3.794 2.781 2.765 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 23 ILE H 1 23 ILE MD 2.971 . 4.074 2.399 1.814 2.524 0.054 21 0 "[ . 1 . 2 . 3]" 1
147 1 23 ILE H 1 23 ILE HG12 2.887 . 3.929 1.917 1.821 3.881 0.024 15 0 "[ . 1 . 2 . 3]" 1
148 1 23 ILE H 1 55 THR HA 2.954 . 4.045 3.738 3.610 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 23 ILE HA 1 23 ILE MD 2.327 . 3.004 2.117 2.074 2.812 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 23 ILE HA 1 23 ILE HG12 3.115 . 4.328 3.346 3.298 3.567 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 23 ILE HA 1 23 ILE HG13 3.127 . 4.349 3.689 2.281 3.754 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 23 ILE HA 1 26 VAL H 3.024 . 4.094 3.685 3.647 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 23 ILE HA 1 26 VAL HB 2.505 . 3.289 2.781 2.723 2.879 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 23 ILE HA 1 26 VAL MG1 3.818 2.962 4.674 4.136 4.038 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 23 ILE HA 1 56 LEU MD1 3.831 2.609 5.053 3.497 3.351 3.651 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 23 ILE HB 1 24 GLU H 3.540 . 5.106 3.061 3.013 3.117 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 23 ILE HG12 1 59 TYR HE1 3.102 . 4.305 4.205 3.423 4.356 0.051 4 0 "[ . 1 . 2 . 3]" 1
158 1 23 ILE HG13 1 59 TYR HE1 3.034 . 4.185 3.721 3.331 4.198 0.013 21 0 "[ . 1 . 2 . 3]" 1
159 1 24 GLU H 1 24 GLU HA 2.856 . 3.875 2.884 2.877 2.890 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 24 GLU H 1 27 LYS QB 3.433 . 4.906 4.884 4.784 4.995 0.089 18 0 "[ . 1 . 2 . 3]" 1
161 1 24 GLU HA 1 25 ASN H 3.137 . 4.367 3.570 3.558 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 24 GLU HA 1 25 ASN H 2.811 . 3.799 3.165 3.156 3.173 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 24 GLU HA 1 27 LYS H 3.283 2.315 4.251 3.481 3.406 3.537 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 24 GLU HA 1 27 LYS QB 2.860 2.029 3.691 2.626 2.509 2.723 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 24 GLU HA 1 28 ALA MB 4.391 3.677 6.005 4.708 4.563 4.837 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 25 ASN H 1 25 ASN HA 2.650 . 3.528 2.781 2.764 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 25 ASN H 1 25 ASN HB2 2.463 . 3.221 2.402 2.313 2.540 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 25 ASN H 1 25 ASN HB3 2.489 . 3.263 2.983 2.499 3.553 0.290 23 0 "[ . 1 . 2 . 3]" 1
169 1 25 ASN HA 1 25 ASN HB2 2.346 . 3.034 2.700 2.430 3.024 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 25 ASN HA 1 25 ASN HB3 2.436 . 3.178 2.835 2.513 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 25 ASN HA 1 26 VAL H 2.791 . 3.764 3.553 3.542 3.560 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 25 ASN HA 1 28 ALA H 3.272 2.627 3.812 3.459 3.387 3.519 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 25 ASN HA 1 28 ALA MB 2.102 . 2.654 2.519 2.399 2.591 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 25 ASN HB2 1 26 VAL H 3.053 . 4.218 3.346 2.559 3.914 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 26 VAL H 1 26 VAL HA 2.762 . 3.716 2.834 2.825 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 26 VAL H 1 26 VAL HB 2.365 . 3.064 2.544 2.518 2.578 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 26 VAL H 1 26 VAL MG1 3.000 2.200 3.800 3.756 3.749 3.761 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 26 VAL H 1 26 VAL MG2 2.808 . 3.793 2.157 2.094 2.220 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 26 VAL HA 1 29 LYS H 2.967 . 4.067 3.267 3.207 3.335 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 26 VAL HB 1 26 VAL MG1 2.330 . 3.009 2.147 2.144 2.151 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 26 VAL HB 1 26 VAL MG2 2.156 . 2.737 2.143 2.138 2.147 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 26 VAL HB 1 27 LYS H 2.578 . 3.408 2.661 2.605 2.741 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 26 VAL HB 1 56 LEU MD1 2.832 2.031 3.633 3.738 3.676 3.805 0.172 4 0 "[ . 1 . 2 . 3]" 1
184 1 26 VAL MG1 1 27 LYS HA 2.809 2.022 3.596 3.554 3.482 3.626 0.030 16 0 "[ . 1 . 2 . 3]" 1
185 1 26 VAL MG2 1 29 LYS H 4.215 3.002 5.428 5.055 5.000 5.105 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 27 LYS H 1 27 LYS HA 2.657 . 3.539 2.833 2.825 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 27 LYS H 1 27 LYS HB2 2.465 . 3.224 2.284 2.258 2.299 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 27 LYS H 1 27 LYS QB 2.465 . 3.224 2.259 2.234 2.272 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 27 LYS H 1 28 ALA MB 2.771 . 3.731 4.125 4.043 4.162 0.431 17 0 "[ . 1 . 2 . 3]" 1
190 1 27 LYS H 1 43 LEU MD1 3.859 3.041 4.677 4.102 3.800 4.488 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 27 LYS HA 1 30 ILE H 3.167 . 4.421 3.257 3.196 3.321 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 27 LYS HA 1 30 ILE HB 2.336 . 3.018 2.592 2.489 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 27 LYS QB 1 28 ALA H 2.561 . 3.381 2.657 2.617 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 27 LYS QE 1 43 LEU MD1 2.615 . 3.470 2.646 2.160 3.507 0.037 28 0 "[ . 1 . 2 . 3]" 1
195 1 28 ALA H 1 28 ALA HA 2.418 . 3.149 2.799 2.792 2.808 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 28 ALA H 1 28 ALA MB 2.287 . 2.490 2.104 2.064 2.163 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 28 ALA HA 1 28 ALA MB 1.999 . 2.498 2.133 2.127 2.142 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 28 ALA HA 1 31 GLN HB2 2.827 2.090 3.564 3.414 3.183 3.569 0.005 29 0 "[ . 1 . 2 . 3]" 1
199 1 28 ALA MB 1 29 LYS H 2.421 . 3.153 2.569 2.471 2.708 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 28 ALA MB 1 32 ASP H 3.985 2.717 5.253 4.482 4.403 4.561 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 29 LYS H 1 29 LYS HA 2.749 . 3.693 2.847 2.831 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 29 LYS H 1 29 LYS HB2 2.496 . 3.275 2.469 2.390 2.590 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 29 LYS H 1 29 LYS HG2 2.922 . 3.989 3.476 3.205 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 29 LYS H 1 30 ILE H 2.839 . 3.846 2.574 2.543 2.604 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 30 ILE H 1 30 ILE HB 2.565 . 3.387 2.351 2.318 2.435 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 30 ILE H 1 30 ILE MG 2.521 . 3.315 3.706 3.695 3.723 0.408 10 0 "[ . 1 . 2 . 3]" 1
207 1 30 ILE HA 1 30 ILE HB 2.721 . 3.647 3.025 3.021 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 30 ILE HA 1 30 ILE MG . 2.293 2.515 2.402 2.353 2.434 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 30 ILE HA 1 33 LYS HB2 3.519 . 5.191 3.250 2.968 3.425 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 30 ILE HA 1 33 LYS HB3 3.575 2.042 5.108 4.975 4.646 5.160 0.052 12 0 "[ . 1 . 2 . 3]" 1
211 1 30 ILE HB 1 30 ILE MG 2.807 2.309 3.305 2.150 2.144 2.153 0.165 30 0 "[ . 1 . 2 . 3]" 1
212 1 30 ILE MG 1 31 GLN H 2.853 2.038 3.668 3.182 3.083 3.385 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 30 ILE MG 1 31 GLN HA 2.800 . 3.725 3.280 3.191 3.435 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 30 ILE MG 1 34 GLU H 2.949 . 4.036 3.723 3.605 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 30 ILE MG 1 36 ILE H 3.277 2.381 4.173 4.115 3.788 4.213 0.040 2 0 "[ . 1 . 2 . 3]" 1
216 1 31 GLN H 1 31 GLN HA 2.875 . 3.908 2.810 2.802 2.821 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 31 GLN H 1 31 GLN HB2 2.885 2.041 3.729 2.453 2.369 2.559 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 31 GLN H 1 31 GLN HB3 2.885 2.041 3.729 2.641 2.534 2.731 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 31 GLN H 1 32 ASP H 2.812 . 3.800 2.739 2.712 2.771 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 31 GLN HA 1 31 GLN HB2 2.827 2.090 3.564 2.509 2.452 2.553 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 31 GLN HA 1 31 GLN HB3 2.827 2.090 3.564 3.026 3.020 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 31 GLN HA 1 34 GLU H 3.161 . 4.410 3.542 3.475 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 31 GLN HA 1 35 GLY H 3.082 2.372 3.792 3.125 2.859 3.393 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 31 GLN HA 1 36 ILE H 3.222 2.548 3.896 2.626 2.471 2.794 0.077 28 0 "[ . 1 . 2 . 3]" 1
225 1 31 GLN HB2 1 32 ASP H 2.885 2.041 3.729 3.735 3.661 3.816 0.087 23 0 "[ . 1 . 2 . 3]" 1
226 1 32 ASP H 1 33 LYS H 2.714 . 3.635 2.827 2.773 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 32 ASP HA 1 33 LYS H 2.845 . 3.720 3.562 3.547 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 33 LYS H 1 33 LYS HG2 2.603 . 3.450 3.095 2.133 3.544 0.094 9 0 "[ . 1 . 2 . 3]" 1
229 1 33 LYS H 1 34 GLU H 2.526 . 3.323 2.482 2.441 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 33 LYS HA 1 33 LYS HG2 2.802 2.081 3.523 2.548 2.347 3.069 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 33 LYS HA 1 34 GLU H 2.900 . 3.952 3.571 3.553 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 34 GLU H 1 34 GLU HA 2.828 . 3.828 2.953 2.935 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 34 GLU H 1 35 GLY HA2 3.246 . 4.563 4.556 4.450 4.587 0.024 8 0 "[ . 1 . 2 . 3]" 1
234 1 34 GLU HA 1 35 GLY H 2.986 . 4.101 3.382 3.311 3.404 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 35 GLY H 1 35 GLY HA2 2.210 . 2.820 2.298 2.291 2.309 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 35 GLY H 1 35 GLY HA3 2.390 . 3.104 2.808 2.789 2.838 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 35 GLY H 1 36 ILE H 2.559 . 3.378 2.771 2.701 2.797 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 35 GLY HA2 1 36 ILE H 3.012 . 4.146 3.186 3.108 3.248 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 35 GLY HA3 1 36 ILE H 2.724 . 3.651 3.419 3.370 3.473 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 36 ILE H 1 36 ILE HA 2.632 . 3.498 2.916 2.887 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 36 ILE H 1 36 ILE HB . 2.210 2.728 2.557 2.501 2.626 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 36 ILE H 1 36 ILE HG12 2.572 . 3.399 2.997 2.102 3.488 0.089 24 0 "[ . 1 . 2 . 3]" 1
243 1 36 ILE H 1 36 ILE MG 2.559 . 3.378 3.768 3.748 3.784 0.406 29 0 "[ . 1 . 2 . 3]" 1
244 1 36 ILE HA 1 36 ILE HB 2.833 2.210 3.157 3.018 3.014 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 36 ILE HA 1 36 ILE MG 2.263 . 2.903 2.297 2.238 2.354 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 36 ILE HB 1 36 ILE MG 1.980 . 2.470 2.146 2.141 2.151 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 36 ILE MG 1 40 GLN H 3.819 2.603 5.035 4.030 3.706 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 36 ILE MG 1 40 GLN HB2 2.102 . 2.654 2.679 2.341 2.848 0.194 9 0 "[ . 1 . 2 . 3]" 1
249 1 36 ILE MG 1 41 GLN H 3.173 . 4.432 4.117 3.401 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 38 PRO HA 1 38 PRO HG2 2.882 2.231 3.533 3.806 3.789 3.851 0.318 24 0 "[ . 1 . 2 . 3]" 1
251 1 38 PRO HA 1 38 PRO HG2 2.851 2.160 3.542 3.345 3.333 3.368 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 39 ASP H 1 39 ASP HA 2.630 . 3.494 2.870 2.811 2.909 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 39 ASP HA 1 40 GLN H 2.557 . 3.374 3.429 3.385 3.475 0.101 8 0 "[ . 1 . 2 . 3]" 1
254 1 40 GLN H 1 40 GLN QB 2.609 . 3.460 2.407 2.276 2.480 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 40 GLN H 1 41 GLN H 2.537 . 3.342 2.165 2.032 2.277 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 40 GLN HA 1 41 GLN H 2.997 . 4.119 3.379 3.345 3.429 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 41 GLN H 1 41 GLN HA 2.892 . 3.937 2.967 2.953 2.974 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 41 GLN HA 1 42 ARG H 2.389 . 3.102 2.176 2.117 2.265 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 41 GLN HA 1 71 LEU HA 3.574 2.468 4.680 2.554 2.395 3.509 0.073 29 0 "[ . 1 . 2 . 3]" 1
260 1 42 ARG H 1 42 ARG HA 2.691 . 3.596 2.960 2.953 2.967 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 42 ARG H 1 69 LEU HA 3.800 3.000 4.600 4.525 4.224 4.718 0.118 5 0 "[ . 1 . 2 . 3]" 1
262 1 42 ARG H 1 71 LEU HA 3.500 2.700 4.300 3.492 3.004 3.975 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 42 ARG HA 1 42 ARG HD2 2.649 . 3.526 3.331 2.303 3.697 0.171 9 0 "[ . 1 . 2 . 3]" 1
264 1 42 ARG HA 1 42 ARG HG2 2.120 . 2.682 2.617 2.349 2.853 0.171 20 0 "[ . 1 . 2 . 3]" 1
265 1 42 ARG HA 1 43 LEU H 2.135 . 2.705 2.241 2.212 2.266 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 42 ARG HA 1 43 LEU MD2 3.729 2.498 4.960 3.985 3.756 4.403 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 42 ARG HD2 1 42 ARG HG2 2.827 2.090 3.564 2.710 2.308 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 43 LEU H 1 43 LEU HB2 2.804 . 3.787 2.655 2.565 2.720 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 43 LEU H 1 43 LEU HB3 3.013 . 4.148 3.732 3.700 3.787 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 43 LEU H 1 43 LEU MD2 2.974 . 4.080 3.370 3.183 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 43 LEU HA 1 43 LEU HB2 2.665 . 3.553 3.023 3.015 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 43 LEU HA 1 43 LEU HB3 2.755 . 3.704 2.393 2.359 2.445 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 43 LEU HA 1 43 LEU MD2 2.334 . 3.015 2.157 2.109 2.198 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 43 LEU HA 1 44 ILE H 2.348 2.068 3.037 2.166 2.157 2.178 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 43 LEU HA 1 69 LEU HA 2.827 . 3.704 3.019 2.906 3.154 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 43 LEU HA 1 70 VAL H 3.800 3.000 4.600 3.537 3.327 3.799 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 43 LEU HB2 1 43 LEU MD1 2.559 . 3.377 2.342 2.276 2.421 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 43 LEU HB3 1 43 LEU MD2 2.817 2.202 3.432 2.299 2.230 2.348 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 43 LEU HB3 1 44 ILE H 2.877 . 3.912 3.370 3.245 3.536 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 43 LEU HB3 1 67 LEU MD1 3.859 3.041 4.677 3.241 2.936 3.706 0.105 5 0 "[ . 1 . 2 . 3]" 1
281 1 43 LEU MD2 1 44 ILE H 3.612 2.359 4.865 3.777 3.595 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 43 LEU MD2 1 69 LEU HA 2.833 2.010 3.656 2.555 2.224 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 44 ILE H 1 44 ILE HB 2.615 . 3.470 2.756 2.533 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 44 ILE H 1 44 ILE MG 3.583 2.615 4.551 3.898 3.792 3.931 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 44 ILE H 1 68 HIS HB3 3.500 2.700 4.300 4.169 3.941 4.389 0.089 5 0 "[ . 1 . 2 . 3]" 1
286 1 44 ILE H 1 69 LEU HA 3.800 3.000 4.600 3.991 3.648 4.166 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 44 ILE HA 1 45 PHE H 2.568 . 3.392 2.171 2.133 2.200 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 44 ILE HB 1 44 ILE MG . 2.441 2.810 2.150 2.141 2.155 0.300 24 0 "[ . 1 . 2 . 3]" 1
289 1 44 ILE HB 1 68 HIS HB2 3.103 . 4.307 2.489 2.330 2.737 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 44 ILE HB 1 68 HIS HB3 3.562 . 5.148 3.542 3.180 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 44 ILE MD 1 49 GLN HA 2.881 2.111 3.651 3.468 2.159 3.787 0.136 14 0 "[ . 1 . 2 . 3]" 1
292 1 44 ILE MG 1 45 PHE H 2.750 . 3.695 2.226 2.068 2.575 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 44 ILE MG 1 47 GLY H 3.123 . 4.342 3.127 2.826 3.342 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 44 ILE MG 1 47 GLY HA2 2.895 . 3.943 2.702 2.475 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 44 ILE MG 1 48 LYS H 3.500 2.810 4.190 2.808 2.655 3.238 0.155 17 0 "[ . 1 . 2 . 3]" 1
296 1 44 ILE MG 1 49 GLN HA 3.511 2.452 4.570 2.924 2.552 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 45 PHE H 1 45 PHE HB2 2.926 . 3.996 3.326 3.206 3.411 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 45 PHE H 1 45 PHE HB3 3.170 . 4.426 2.853 2.737 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 45 PHE H 1 48 LYS H 3.244 . 4.559 2.855 2.763 2.927 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 45 PHE H 1 49 GLN HA 3.197 . 4.474 3.792 3.684 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 45 PHE H 1 50 LEU MD2 3.349 . 4.751 3.346 2.526 3.696 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 45 PHE HA 1 45 PHE HB2 2.891 . 3.936 2.483 2.435 2.542 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 45 PHE HA 1 45 PHE HB3 2.790 . 3.763 3.034 3.027 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 45 PHE HB2 1 45 PHE HD1 2.595 . 3.437 2.541 2.465 2.718 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 45 PHE HB2 1 50 LEU MD1 2.860 . 3.883 3.395 3.156 4.080 0.197 17 0 "[ . 1 . 2 . 3]" 1
306 1 45 PHE HB2 1 50 LEU MD2 2.802 2.081 3.523 3.311 2.497 3.535 0.012 22 0 "[ . 1 . 2 . 3]" 1
307 1 45 PHE HB2 1 61 ILE MD 3.077 . 4.261 3.313 2.958 3.740 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 45 PHE HB3 1 45 PHE HD1 2.776 . 3.739 3.724 3.693 3.765 0.026 17 0 "[ . 1 . 2 . 3]" 1
309 1 45 PHE HB3 1 50 LEU MD1 2.703 . 3.616 3.591 3.448 3.688 0.072 16 0 "[ . 1 . 2 . 3]" 1
310 1 45 PHE HB3 1 50 LEU MD2 3.061 . 4.232 2.478 2.273 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 45 PHE HB3 1 61 ILE MD 3.012 . 4.146 3.142 2.791 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 45 PHE HD2 1 61 ILE MD 3.299 2.480 4.118 3.577 3.164 4.070 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 45 PHE QE 1 61 ILE MD 3.899 2.680 5.118 4.226 3.909 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 46 ALA HA 1 46 ALA MB 2.263 . 2.903 2.146 2.136 2.148 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 46 ALA HA 1 47 GLY H 3.116 . 4.330 2.794 2.725 2.860 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 46 ALA MB 1 47 GLY H 3.290 . 4.643 3.649 3.623 3.670 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 47 GLY H 1 47 GLY HA2 2.847 . 3.860 2.275 2.272 2.278 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 48 LYS H 1 48 LYS HA 2.632 . 3.498 2.982 2.979 2.985 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 48 LYS HA 1 48 LYS QG 2.277 . 2.925 2.341 2.256 2.651 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 48 LYS HA 1 49 GLN H 2.604 . 3.452 2.178 2.165 2.189 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 49 GLN H 1 49 GLN HA 2.105 . 2.659 2.874 2.863 2.887 0.228 29 0 "[ . 1 . 2 . 3]" 1
322 1 49 GLN H 1 49 GLN HB2 2.641 . 3.513 2.422 2.256 2.574 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 49 GLN HA 1 49 GLN HB2 2.160 . 2.743 2.753 2.511 3.015 0.272 27 0 "[ . 1 . 2 . 3]" 1
324 1 49 GLN HA 1 49 GLN HG2 2.176 . 2.768 2.625 2.305 2.820 0.052 14 0 "[ . 1 . 2 . 3]" 1
325 1 49 GLN HA 1 50 LEU H 2.397 . 3.115 2.198 2.184 2.218 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 49 GLN HB2 1 50 LEU H 3.037 . 4.190 4.258 4.182 4.329 0.139 21 0 "[ . 1 . 2 . 3]" 1
327 1 49 GLN HG2 1 50 LEU H 3.015 . 4.151 3.422 2.568 4.258 0.107 20 0 "[ . 1 . 2 . 3]" 1
328 1 50 LEU H 1 50 LEU HB2 3.017 . 4.087 2.672 2.297 2.749 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 50 LEU H 1 50 LEU HB3 2.800 . 3.600 3.608 3.561 3.618 0.018 22 0 "[ . 1 . 2 . 3]" 1
330 1 50 LEU H 1 50 LEU MD1 3.032 . 4.181 3.573 3.512 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 50 LEU H 1 50 LEU MD2 3.221 . 4.518 2.744 1.803 3.014 0.121 17 0 "[ . 1 . 2 . 3]" 1
332 1 50 LEU HA 1 50 LEU HB2 2.664 . 3.551 3.016 3.010 3.021 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 50 LEU HA 1 50 LEU HB3 2.985 . 4.099 2.376 2.347 2.586 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 50 LEU HA 1 50 LEU MD2 2.340 . 3.025 2.132 2.097 2.300 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 50 LEU HA 1 51 GLU H 2.456 . 3.210 2.138 2.124 2.152 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 50 LEU HB2 1 50 LEU MD1 2.477 . 3.244 2.426 2.305 3.189 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 50 LEU HB2 1 50 LEU MD2 2.870 . 3.900 3.177 2.412 3.207 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 50 LEU HB3 1 50 LEU MD2 3.057 . 4.225 2.372 2.278 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 51 GLU HB2 1 54 ARG H 3.579 2.614 4.544 4.659 4.610 4.764 0.220 14 0 "[ . 1 . 2 . 3]" 1
340 1 51 GLU HB2 1 59 TYR HE1 3.891 2.773 5.009 4.005 3.466 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 51 GLU HG2 1 52 ASP H 2.821 2.148 3.494 3.689 3.638 3.732 0.238 10 0 "[ . 1 . 2 . 3]" 1
342 1 52 ASP H 1 52 ASP HA 2.042 . 2.563 2.812 2.795 2.845 0.282 21 0 "[ . 1 . 2 . 3]" 1
343 1 52 ASP H 1 52 ASP HB2 2.214 . 2.827 2.450 2.322 2.601 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 54 ARG HA 1 55 THR H 2.456 . 3.210 2.330 2.310 2.367 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 55 THR H 1 55 THR MG 2.850 . 3.865 2.677 2.498 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 55 THR H 1 58 ASP HB2 3.058 . 4.227 3.569 3.333 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 55 THR HA 1 55 THR HB 2.627 . 3.489 2.528 2.473 2.566 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 55 THR HA 1 55 THR MG 2.416 . 3.146 2.313 2.251 2.384 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 55 THR HA 1 56 LEU H 2.604 . 3.452 2.410 2.384 2.468 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 55 THR HA 1 56 LEU HB2 3.501 . 5.033 4.623 4.567 4.688 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 55 THR HA 1 56 LEU MD1 3.327 . 4.710 3.360 3.208 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 55 THR HB 1 55 THR MG 2.888 2.234 3.542 2.149 2.144 2.152 0.090 18 0 "[ . 1 . 2 . 3]" 1
353 1 55 THR HB 1 56 LEU H 2.554 . 3.370 2.571 2.445 2.639 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 55 THR HB 1 57 SER H 2.795 . 3.772 2.782 2.690 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 55 THR HB 1 58 ASP H 3.048 . 4.210 3.861 3.667 4.116 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 56 LEU H 1 56 LEU HA 2.887 . 3.929 2.814 2.803 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 56 LEU H 1 56 LEU HB2 2.727 . 3.656 2.226 2.177 2.286 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 56 LEU H 1 56 LEU MD1 2.819 . 3.812 2.203 2.074 2.368 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 56 LEU H 1 56 LEU MD2 3.633 2.767 4.499 3.998 3.952 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 56 LEU H 1 57 SER H 2.785 . 3.755 2.757 2.717 2.788 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 56 LEU HA 1 56 LEU HB2 2.584 . 3.419 2.985 2.967 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 56 LEU HA 1 56 LEU HB3 2.433 . 3.173 2.719 2.666 2.764 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 56 LEU HA 1 56 LEU MD1 2.173 . 2.763 2.456 2.337 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 56 LEU HA 1 59 TYR H 2.745 . 3.687 3.218 3.145 3.307 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 56 LEU HA 1 61 ILE MD 3.789 2.817 4.761 3.180 2.942 3.498 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 56 LEU HB2 1 56 LEU MD1 2.825 2.090 3.560 2.355 2.303 2.388 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 56 LEU HB2 1 57 SER H 3.145 . 4.381 2.967 2.889 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 56 LEU HB3 1 56 LEU MD1 2.497 . 3.277 3.204 3.197 3.209 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 56 LEU HB3 1 57 SER H 2.940 . 4.021 3.354 3.263 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 56 LEU MD1 1 56 LEU MD2 2.895 2.346 3.444 2.093 2.079 2.102 0.267 24 0 "[ . 1 . 2 . 3]" 1
371 1 56 LEU MD2 1 61 ILE MD 2.965 . 4.064 3.052 2.744 3.282 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 57 SER H 1 58 ASP H 2.759 . 3.711 2.865 2.825 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 58 ASP H 1 58 ASP HA 2.640 . 3.511 2.789 2.774 2.801 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 58 ASP H 1 58 ASP HB2 2.565 . 3.387 2.540 2.432 2.605 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 58 ASP H 1 58 ASP HB3 2.782 . 3.750 3.579 3.570 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 58 ASP H 1 59 TYR H 2.764 . 3.719 2.692 2.670 2.722 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 58 ASP HA 1 58 ASP HB3 2.561 . 3.381 2.472 2.442 2.528 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 58 ASP HA 1 59 TYR H 3.076 . 4.259 3.522 3.507 3.531 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 58 ASP HB2 1 59 TYR H 3.132 . 4.358 2.477 2.428 2.537 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 58 ASP HB3 1 59 TYR HE1 3.584 2.615 4.553 4.230 3.772 4.539 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 59 TYR H 1 59 TYR HA 2.378 . 3.085 2.955 2.941 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 59 TYR H 1 59 TYR HB2 2.841 2.034 3.648 2.471 2.356 2.560 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 59 TYR H 1 59 TYR HB3 2.861 2.041 3.681 3.649 3.596 3.682 0.001 7 0 "[ . 1 . 2 . 3]" 1
384 1 59 TYR HA 1 59 TYR HB3 2.501 . 3.283 2.464 2.421 2.522 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 59 TYR HB2 1 60 ASN H 3.434 . 4.908 4.433 4.398 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 59 TYR HB2 1 61 ILE MD 2.773 2.521 3.734 2.470 2.388 2.548 0.133 22 0 "[ . 1 . 2 . 3]" 1
387 1 59 TYR HB3 1 60 ASN H 3.248 . 4.567 3.896 3.805 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 59 TYR HB3 1 61 ILE MD 3.179 . 4.442 2.897 2.599 3.138 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 59 TYR HB3 1 61 ILE HG12 3.078 . 4.262 3.950 3.718 4.165 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 59 TYR QD 1 61 ILE MD 3.282 2.315 4.249 3.651 3.496 3.805 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 60 ASN H 1 60 ASN HA 2.453 . 3.205 2.720 2.709 2.730 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 60 ASN H 1 60 ASN HA 2.424 . 3.159 2.500 2.494 2.506 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 60 ASN H 1 60 ASN HB2 3.251 . 4.572 2.904 2.343 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 60 ASN H 1 61 ILE H 2.989 . 4.106 3.819 3.770 3.867 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 60 ASN HA 1 60 ASN HB2 2.639 . 3.510 2.784 2.433 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 60 ASN HA 1 60 ASN HB3 2.666 . 3.554 2.522 2.356 3.021 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 60 ASN HA 1 61 ILE H 2.725 . 3.653 2.491 2.459 2.529 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 61 ILE H 1 61 ILE HB 2.558 . 3.376 2.408 2.370 2.460 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 61 ILE H 1 61 ILE MD 3.299 2.480 4.118 3.622 3.521 3.695 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 61 ILE H 1 61 ILE HG12 2.774 . 3.736 3.895 3.845 3.965 0.229 27 0 "[ . 1 . 2 . 3]" 1
401 1 61 ILE H 1 61 ILE HG13 3.344 . 4.742 2.621 2.543 2.713 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 61 ILE H 1 61 ILE MG 3.899 2.880 4.174 3.750 3.728 3.775 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 61 ILE HA 1 61 ILE HG12 2.912 . 3.972 2.597 2.554 2.644 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 61 ILE HA 1 61 ILE HG13 2.890 . 3.934 2.887 2.834 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 61 ILE HA 1 61 ILE MG 2.605 . 3.453 2.380 2.338 2.412 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 61 ILE HA 1 62 GLN H 2.363 . 3.061 2.254 2.227 2.276 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 61 ILE HB 1 61 ILE MD 2.478 . 3.246 2.271 2.230 2.312 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 61 ILE HB 1 61 ILE MG 2.218 . 2.833 2.143 2.140 2.148 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 61 ILE MD 1 61 ILE HG12 2.361 . 3.057 2.156 2.154 2.160 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 61 ILE MD 1 67 LEU MD1 3.504 2.697 4.311 2.887 2.560 4.525 0.214 5 0 "[ . 1 . 2 . 3]" 1
411 1 61 ILE MD 1 67 LEU MD2 2.972 . 4.076 3.767 3.268 4.113 0.037 14 0 "[ . 1 . 2 . 3]" 1
412 1 61 ILE HG13 1 61 ILE MG 2.835 . 3.840 3.197 3.190 3.206 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 61 ILE MG 1 62 GLN H 2.870 . 3.900 3.299 3.190 3.354 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 62 GLN H 1 62 GLN HA 2.820 . 3.814 2.915 2.905 2.926 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 62 GLN H 1 62 GLN HB2 2.645 . 3.519 2.531 2.410 2.659 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 62 GLN H 1 62 GLN HG2 2.775 . 3.737 3.150 2.095 3.854 0.117 11 0 "[ . 1 . 2 . 3]" 1
417 1 62 GLN HA 1 62 GLN HB2 2.300 . 2.962 3.018 3.013 3.022 0.060 20 0 "[ . 1 . 2 . 3]" 1
418 1 62 GLN HA 1 63 LYS H 2.416 . 3.146 2.455 2.388 2.505 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 63 LYS H 1 63 LYS HA 2.791 . 3.765 2.795 2.781 2.817 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 63 LYS HA 1 64 GLU H 2.357 . 3.052 2.184 2.164 2.206 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 64 GLU H 1 64 GLU HA 2.573 . 3.400 2.275 2.270 2.285 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 66 THR H 1 66 THR HA 2.871 . 3.901 2.957 2.949 2.970 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 66 THR H 1 66 THR HB 2.625 . 3.486 2.546 2.477 2.764 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 66 THR HA 1 66 THR MG 2.827 2.029 3.625 2.291 2.251 2.331 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 66 THR HA 1 67 LEU H 2.397 . 3.115 2.130 2.125 2.158 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 66 THR HB 1 66 THR MG 2.827 2.207 3.447 2.149 2.145 2.153 0.062 1 0 "[ . 1 . 2 . 3]" 1
427 1 66 THR MG 1 67 LEU H . 2.501 3.429 2.753 2.444 2.857 0.057 5 0 "[ . 1 . 2 . 3]" 1
428 1 67 LEU H 1 67 LEU MD1 3.500 2.501 4.499 4.105 3.600 4.207 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 67 LEU H 1 67 LEU MD2 3.155 . 4.399 3.505 2.241 4.411 0.012 11 0 "[ . 1 . 2 . 3]" 1
430 1 67 LEU HA 1 67 LEU MD1 2.848 2.099 3.597 2.190 2.094 3.868 0.271 5 0 "[ . 1 . 2 . 3]" 1
431 1 67 LEU HA 1 67 LEU MD2 3.204 . 4.487 3.219 2.266 3.868 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 67 LEU HA 1 68 HIS H . 2.480 2.922 2.315 2.284 2.496 0.196 14 0 "[ . 1 . 2 . 3]" 1
433 1 67 LEU MD1 1 67 LEU MD2 2.261 . 2.900 2.037 2.008 2.099 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 67 LEU MD1 1 68 HIS H 3.074 . 4.255 2.501 2.043 3.116 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 67 LEU MD1 1 68 HIS HB2 3.316 . 4.690 4.279 3.787 4.751 0.061 28 0 "[ . 1 . 2 . 3]" 1
436 1 68 HIS H 1 68 HIS HB2 2.735 . 3.670 2.441 2.359 2.550 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 68 HIS H 1 68 HIS HB3 3.019 . 4.158 3.640 3.612 3.672 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 68 HIS HA 1 68 HIS HB2 2.322 . 2.996 3.023 3.014 3.027 0.031 22 0 "[ . 1 . 2 . 3]" 1
439 1 68 HIS HA 1 68 HIS HB3 2.865 . 3.891 2.485 2.419 2.550 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 68 HIS HA 1 69 LEU H . 2.480 2.991 2.209 2.205 2.215 0.275 30 0 "[ . 1 . 2 . 3]" 1
441 1 68 HIS HB3 1 69 LEU H 3.122 . 4.340 3.494 3.401 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 69 LEU H 1 69 LEU HB2 2.627 . 3.490 2.781 2.647 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 69 LEU H 1 69 LEU HB3 3.130 . 4.355 2.624 2.486 2.718 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 69 LEU H 1 69 LEU MD1 3.757 2.807 4.707 4.466 4.433 4.520 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 69 LEU H 1 69 LEU MD2 3.034 . 3.780 4.027 3.956 4.076 0.296 26 0 "[ . 1 . 2 . 3]" 1
446 1 69 LEU H 1 70 VAL H 2.750 . 3.695 4.117 4.064 4.185 0.490 11 0 "[ . 1 . 2 . 3]" 1
447 1 69 LEU HA 1 69 LEU HB2 2.160 . 2.743 2.540 2.451 2.605 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 69 LEU HA 1 69 LEU HB3 2.343 . 3.029 3.024 3.013 3.032 0.003 21 0 "[ . 1 . 2 . 3]" 1
449 1 69 LEU HB2 1 69 LEU MD2 2.848 2.159 3.537 3.183 3.094 3.219 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 70 VAL HA 1 70 VAL HB 2.609 . 3.460 2.952 2.411 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 70 VAL HA 1 71 LEU H 2.381 . 3.089 2.226 2.190 2.298 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 70 VAL HA 1 71 LEU MD2 2.382 . 3.092 2.924 2.636 3.239 0.147 13 0 "[ . 1 . 2 . 3]" 1
453 1 71 LEU HA 1 71 LEU HB2 2.233 . 2.856 2.756 2.362 3.005 0.149 19 0 "[ . 1 . 2 . 3]" 1
454 1 71 LEU HA 1 71 LEU HB3 2.835 . 3.839 2.356 2.305 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 71 LEU HA 1 71 LEU MD1 3.408 2.683 4.133 3.922 2.231 4.144 0.452 8 0 "[ . 1 . 2 . 3]" 1
456 1 71 LEU HA 1 71 LEU MD2 2.425 . 3.160 2.856 2.100 3.415 0.255 7 0 "[ . 1 . 2 . 3]" 1
457 1 71 LEU HA 1 72 ARG H 2.443 . 3.189 2.514 2.355 2.622 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 71 LEU HB2 1 72 ARG H 2.537 . 3.342 2.532 2.087 3.474 0.132 8 0 "[ . 1 . 2 . 3]" 1
459 1 71 LEU MD1 1 72 ARG H 2.827 . 3.826 3.925 2.815 4.072 0.246 28 0 "[ . 1 . 2 . 3]" 1
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 1, 2024 5:01:48 AM GMT (wattos1)