NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
412294 |
2b88   |
6804 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2b88
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 875
_Distance_constraint_stats_list.Viol_count 1595
_Distance_constraint_stats_list.Viol_total 8495.780
_Distance_constraint_stats_list.Viol_max 0.496
_Distance_constraint_stats_list.Viol_rms 0.0343
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.1332
_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 3 ASN 0.610 0.164 2 0 "[ . 1 . 2 . 3 . 4]"
1 4 LYS 0.881 0.164 2 0 "[ . 1 . 2 . 3 . 4]"
1 5 PHE 4.115 0.342 38 0 "[ . 1 . 2 . 3 . 4]"
1 6 ASN 3.768 0.215 2 0 "[ . 1 . 2 . 3 . 4]"
1 7 LYS 7.272 0.209 19 0 "[ . 1 . 2 . 3 . 4]"
1 8 GLU 14.869 0.342 38 0 "[ . 1 . 2 . 3 . 4]"
1 9 LEU 16.912 0.270 22 0 "[ . 1 . 2 . 3 . 4]"
1 10 GLY 16.560 0.477 39 0 "[ . 1 . 2 . 3 . 4]"
1 11 TRP 18.239 0.477 39 0 "[ . 1 . 2 . 3 . 4]"
1 12 ALA 7.353 0.270 22 0 "[ . 1 . 2 . 3 . 4]"
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 14 TRP 26.507 0.496 11 0 "[ . 1 . 2 . 3 . 4]"
1 15 GLU 26.660 0.496 11 0 "[ . 1 . 2 . 3 . 4]"
1 16 ILE 0.097 0.067 18 0 "[ . 1 . 2 . 3 . 4]"
1 17 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 18 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 19 LEU 7.331 0.194 10 0 "[ . 1 . 2 . 3 . 4]"
1 20 PRO 5.694 0.194 10 0 "[ . 1 . 2 . 3 . 4]"
1 21 ASN 11.575 0.286 24 0 "[ . 1 . 2 . 3 . 4]"
1 22 LEU 0.013 0.013 36 0 "[ . 1 . 2 . 3 . 4]"
1 23 ASN 3.062 0.105 10 0 "[ . 1 . 2 . 3 . 4]"
1 24 GLY 5.384 0.164 24 0 "[ . 1 . 2 . 3 . 4]"
1 25 VAL 6.329 0.129 1 0 "[ . 1 . 2 . 3 . 4]"
1 26 GLN 5.108 0.129 1 0 "[ . 1 . 2 . 3 . 4]"
1 27 VAL 5.495 0.164 24 0 "[ . 1 . 2 . 3 . 4]"
1 28 LYS 0.019 0.006 13 0 "[ . 1 . 2 . 3 . 4]"
1 29 ALA 8.276 0.244 30 0 "[ . 1 . 2 . 3 . 4]"
1 30 PHE 19.930 0.244 30 0 "[ . 1 . 2 . 3 . 4]"
1 31 ILE 2.778 0.091 40 0 "[ . 1 . 2 . 3 . 4]"
1 32 ASP 0.093 0.042 17 0 "[ . 1 . 2 . 3 . 4]"
1 33 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 34 LEU 2.647 0.176 19 0 "[ . 1 . 2 . 3 . 4]"
1 35 ARG 1.690 0.102 38 0 "[ . 1 . 2 . 3 . 4]"
1 36 ASP 11.744 0.175 11 0 "[ . 1 . 2 . 3 . 4]"
1 37 ASP 12.886 0.175 11 0 "[ . 1 . 2 . 3 . 4]"
1 38 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 39 SER 5.976 0.189 39 0 "[ . 1 . 2 . 3 . 4]"
1 40 GLN 8.051 0.189 39 0 "[ . 1 . 2 . 3 . 4]"
1 41 SER 1.173 0.094 29 0 "[ . 1 . 2 . 3 . 4]"
1 42 ALA 14.458 0.212 5 0 "[ . 1 . 2 . 3 . 4]"
1 43 ASN 11.693 0.212 5 0 "[ . 1 . 2 . 3 . 4]"
1 44 LEU 5.110 0.141 18 0 "[ . 1 . 2 . 3 . 4]"
1 45 LEU 5.110 0.141 18 0 "[ . 1 . 2 . 3 . 4]"
1 46 ALA 3.917 0.102 26 0 "[ . 1 . 2 . 3 . 4]"
1 47 GLU 12.975 0.159 9 0 "[ . 1 . 2 . 3 . 4]"
1 48 ALA 8.897 0.159 9 0 "[ . 1 . 2 . 3 . 4]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 50 LYS 8.929 0.240 13 0 "[ . 1 . 2 . 3 . 4]"
1 51 LEU 8.929 0.240 13 0 "[ . 1 . 2 . 3 . 4]"
1 52 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 53 ASP 10.689 0.175 24 0 "[ . 1 . 2 . 3 . 4]"
1 54 ALA 12.102 0.175 24 0 "[ . 1 . 2 . 3 . 4]"
1 55 GLN 9.168 0.286 24 0 "[ . 1 . 2 . 3 . 4]"
1 56 ALA 1.059 0.178 7 0 "[ . 1 . 2 . 3 . 4]"
1 57 PRO 1.703 0.314 2 0 "[ . 1 . 2 . 3 . 4]"
1 58 LYS 1.703 0.314 2 0 "[ . 1 . 2 . 3 . 4]"
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 3 ASN HA 1 3 ASN QB 2.700 . 2.700 2.307 2.178 2.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 3 ASN HA 1 4 LYS H 3.300 . 3.300 2.615 2.117 3.464 0.164 2 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 3 ASN QB 1 4 LYS H 5.000 . 5.000 3.227 2.157 4.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 4 LYS HA 1 4 LYS QD 5.000 . 5.000 3.668 2.105 4.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 4 LYS HA 1 5 PHE QD 5.000 . 5.000 3.940 3.366 4.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 4 LYS HA 1 5 PHE H 3.300 . 3.300 2.435 2.116 3.434 0.134 5 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 4 LYS QB 1 5 PHE H 5.000 . 5.000 3.110 1.753 4.050 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 4 LYS H 1 4 LYS QD 5.000 . 5.000 3.722 1.844 4.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 4 LYS H 1 4 LYS QG 5.000 . 5.000 2.820 1.808 4.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 4 LYS QG 1 5 PHE H 5.000 . 5.000 3.682 2.275 4.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 4 LYS H 1 5 PHE H 5.000 . 5.000 4.142 1.559 4.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 5 PHE HA 1 6 ASN H 3.300 . 3.300 3.268 2.020 3.515 0.215 2 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 5 PHE HA 1 8 GLU QB 5.000 . 5.000 4.051 2.990 4.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 5 PHE HA 1 8 GLU H 5.000 . 5.000 3.773 3.371 5.342 0.342 38 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 5 PHE QD 1 6 ASN HA 5.000 . 5.000 3.677 3.091 4.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 6 ASN HA 1 7 LYS H 5.000 . 5.000 3.467 2.888 3.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 6 ASN HA 1 9 LEU QB 5.000 . 5.000 2.984 2.079 4.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 6 ASN HA 1 9 LEU H 5.000 . 5.000 3.259 2.740 4.667 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 6 ASN HA 1 10 GLY H 5.000 . 5.000 4.693 4.074 5.107 0.107 5 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 6 ASN QB 1 7 LYS H 5.000 . 5.000 2.881 1.737 3.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 6 ASN QB 1 9 LEU QB 5.000 . 5.000 3.743 3.300 4.136 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 6 ASN QB 1 9 LEU MD1 5.000 . 5.000 3.700 3.020 3.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 6 ASN QB 1 9 LEU H 5.000 . 5.000 4.469 3.418 4.626 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 6 ASN QD 1 9 LEU MD1 5.000 . 5.000 3.376 3.057 3.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 7 LYS HA 1 8 GLU H 3.300 . 3.300 3.482 3.441 3.509 0.209 19 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 7 LYS HA 1 9 LEU H 5.000 . 5.000 4.130 3.938 4.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 7 LYS H 1 7 LYS QB 3.300 . 3.300 2.341 2.121 2.514 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 7 LYS QB 1 8 GLU H 3.300 . 3.300 2.631 2.353 2.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 7 LYS H 1 7 LYS QD 5.000 . 5.000 4.080 1.763 4.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 7 LYS H 1 7 LYS QG 5.000 . 5.000 3.038 1.991 4.017 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 8 GLU HA 1 8 GLU QG 3.300 . 3.300 2.407 2.190 2.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 8 GLU HA 1 9 LEU H 3.300 . 3.300 3.476 3.447 3.499 0.199 11 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 8 GLU HA 1 11 TRP QB 5.000 . 5.000 2.201 1.943 2.642 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 8 GLU HA 1 11 TRP HE3 5.000 . 5.000 4.455 3.927 5.115 0.115 38 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 8 GLU HA 1 11 TRP H 5.000 . 5.000 3.271 3.113 3.520 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 8 GLU H 1 8 GLU QB 3.300 . 3.300 2.365 2.037 2.514 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 8 GLU QB 1 9 LEU HA 5.000 . 5.000 3.960 3.798 4.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 8 GLU QB 1 9 LEU H 5.000 . 5.000 2.717 2.255 2.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 8 GLU H 1 8 GLU QG 5.000 . 5.000 3.042 2.021 4.072 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 8 GLU QG 1 9 LEU H 5.000 . 5.000 4.193 3.711 4.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 8 GLU H 1 9 LEU H 3.300 . 3.300 2.580 2.442 2.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 9 LEU HA 1 9 LEU MD1 3.300 . 3.300 2.833 2.772 2.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 9 LEU HA 1 10 GLY H 5.000 . 5.000 3.518 3.470 3.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 9 LEU HA 1 12 ALA H 3.300 . 3.300 3.480 3.346 3.570 0.270 22 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 9 LEU HA 1 41 SER QB 5.000 . 5.000 3.812 2.915 4.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 9 LEU QB 1 10 GLY H 5.000 . 5.000 2.801 2.489 3.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 9 LEU H 1 9 LEU MD1 5.000 . 5.000 2.106 1.681 4.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 9 LEU MD1 1 38 PRO QG 5.000 . 5.000 2.725 2.129 3.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 9 LEU MD2 1 35 ARG HA 5.000 . 5.000 2.445 1.938 4.180 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 9 LEU MD2 1 38 PRO HA 5.000 . 5.000 4.038 2.574 4.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 9 LEU MD2 1 38 PRO QB 5.000 . 5.000 2.947 1.784 3.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 9 LEU H 1 9 LEU HG 5.000 . 5.000 3.508 2.983 3.662 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 9 LEU H 1 10 GLY H 3.300 . 3.300 2.539 2.454 2.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 9 LEU H 1 34 LEU HG 5.000 . 5.000 5.050 4.749 5.176 0.176 19 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 10 GLY QA 1 11 TRP H 3.300 . 3.300 2.735 2.700 2.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 10 GLY QA 1 13 THR HB 5.000 . 5.000 2.672 2.361 3.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 10 GLY QA 1 13 THR H 5.000 . 5.000 3.449 3.224 3.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 10 GLY QA 1 14 TRP H 5.000 . 5.000 4.016 3.789 4.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 10 GLY H 1 11 TRP HD1 6.000 . 6.000 6.407 6.328 6.477 0.477 39 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 11 TRP HA 1 11 TRP HD1 5.000 . 5.000 2.694 2.467 2.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 11 TRP HA 1 11 TRP HE3 5.000 . 5.000 4.580 4.405 4.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 11 TRP HA 1 12 ALA H 5.000 . 5.000 3.578 3.547 3.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 11 TRP HA 1 13 THR H 5.000 . 5.000 4.457 4.312 4.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 11 TRP HA 1 14 TRP QB 5.000 . 5.000 4.292 4.164 4.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 11 TRP HA 1 14 TRP H 5.000 . 5.000 4.151 3.925 4.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 11 TRP HA 1 15 GLU H 5.000 . 5.000 4.494 4.373 4.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 11 TRP H 1 11 TRP QB 3.300 . 3.300 2.167 2.142 2.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 11 TRP QB 1 12 ALA MB 5.000 . 5.000 3.501 3.377 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 11 TRP QB 1 12 ALA H 3.300 . 3.300 2.204 2.155 2.255 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 11 TRP H 1 11 TRP HD1 5.000 . 5.000 4.428 4.346 4.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 11 TRP HE1 1 14 TRP HH2 5.000 . 5.000 3.850 2.604 4.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 11 TRP HE1 1 15 GLU QG 5.000 . 5.000 4.595 4.537 4.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 11 TRP H 1 11 TRP HE3 5.000 . 5.000 5.042 4.967 5.098 0.098 30 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 11 TRP HE3 1 12 ALA MB 5.000 . 5.000 2.997 2.594 3.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 11 TRP HE3 1 12 ALA H 5.000 . 5.000 3.240 2.995 3.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 11 TRP HE3 1 45 LEU QD 5.000 . 5.000 3.439 2.921 3.815 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 11 TRP HZ3 1 45 LEU QD 5.000 . 5.000 3.021 2.273 3.722 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 12 ALA HA 1 13 THR H 5.000 . 5.000 3.504 3.487 3.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 12 ALA HA 1 14 TRP H 5.000 . 5.000 4.480 4.360 4.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 12 ALA HA 1 15 GLU QB 5.000 . 5.000 2.104 2.016 2.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 12 ALA HA 1 15 GLU H 3.300 . 3.300 3.208 3.069 3.339 0.039 40 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 12 ALA HA 1 45 LEU QD 5.000 . 5.000 2.033 1.884 2.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 12 ALA H 1 12 ALA MB 2.700 . 2.700 2.145 2.056 2.234 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 12 ALA MB 1 13 THR H 3.300 . 3.300 2.818 2.774 2.874 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 12 ALA MB 1 15 GLU H 5.000 . 5.000 4.440 4.328 4.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 12 ALA MB 1 16 ILE MD 5.000 . 5.000 2.240 1.947 3.100 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 12 ALA MB 1 41 SER HA 5.000 . 5.000 2.726 2.539 3.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 12 ALA MB 1 41 SER QB 5.000 . 5.000 1.846 1.749 2.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 12 ALA MB 1 41 SER H 5.000 . 5.000 4.380 4.308 4.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 12 ALA MB 1 45 LEU QD 3.300 . 3.300 2.095 2.036 2.147 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 12 ALA H 1 13 THR H 3.300 . 3.300 2.607 2.552 2.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 12 ALA H 1 34 LEU QD 5.000 . 5.000 3.304 2.766 3.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 13 THR HA 1 14 TRP H 5.000 . 5.000 3.551 3.532 3.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 13 THR HA 1 15 GLU H 5.000 . 5.000 4.521 4.395 4.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 13 THR HA 1 16 ILE HB 5.000 . 5.000 3.039 2.974 3.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 13 THR HA 1 16 ILE MD 5.000 . 5.000 3.278 3.023 4.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 13 THR HA 1 16 ILE QG 5.000 . 5.000 3.997 2.324 4.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 13 THR HA 1 16 ILE MG 5.000 . 5.000 4.203 4.112 4.266 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 13 THR HA 1 16 ILE H 5.000 . 5.000 3.818 3.621 3.882 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 13 THR HA 1 17 PHE H 5.000 . 5.000 3.936 3.756 4.086 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 13 THR HA 1 31 ILE MD 5.000 . 5.000 2.104 1.785 2.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 13 THR HA 1 34 LEU QD 5.000 . 5.000 3.531 3.190 3.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 13 THR H 1 13 THR HB 3.300 . 3.300 2.547 2.478 2.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 13 THR HB 1 31 ILE MD 5.000 . 5.000 3.982 3.815 4.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 13 THR HB 1 31 ILE MG 5.000 . 5.000 4.070 3.876 4.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 13 THR MG 1 14 TRP HA 5.000 . 5.000 3.501 3.280 3.630 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 13 THR MG 1 14 TRP H 5.000 . 5.000 3.348 3.239 3.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 13 THR MG 1 16 ILE HB 5.000 . 5.000 4.226 4.017 4.290 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 13 THR MG 1 17 PHE QB 5.000 . 5.000 3.434 3.260 3.626 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 13 THR MG 1 17 PHE QD 3.300 . 3.300 2.111 1.976 2.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 13 THR MG 1 17 PHE QE 3.300 . 3.300 2.506 2.485 2.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 13 THR MG 1 31 ILE MD 5.000 . 5.000 1.941 1.798 2.144 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 13 THR MG 1 31 ILE MG 5.000 . 5.000 2.434 2.192 2.744 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 13 THR H 1 14 TRP QB 5.000 . 5.000 4.709 4.622 4.825 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 13 THR H 1 15 GLU QB 5.000 . 5.000 4.606 4.553 4.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 13 THR H 1 34 LEU QD 5.000 . 5.000 3.409 2.793 3.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 14 TRP HA 1 14 TRP HD1 5.000 . 5.000 4.109 3.480 4.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 14 TRP HA 1 14 TRP HE3 5.000 . 5.000 4.285 3.738 4.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 14 TRP HA 1 15 GLU H 5.000 . 5.000 3.594 3.561 3.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 14 TRP HA 1 17 PHE QB 5.000 . 5.000 2.085 1.847 2.239 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 14 TRP HA 1 17 PHE H 5.000 . 5.000 3.353 3.233 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 14 TRP HA 1 18 ASN H 5.000 . 5.000 4.212 4.039 4.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 14 TRP QB 1 15 GLU H 5.000 . 5.000 3.414 3.231 3.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 14 TRP H 1 14 TRP HE3 5.000 . 5.000 3.968 2.964 4.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 14 TRP HH2 1 15 GLU H 5.000 . 5.000 5.435 5.377 5.496 0.496 11 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 14 TRP H 1 15 GLU QG 5.000 . 5.000 4.316 4.074 4.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 14 TRP H 1 15 GLU H 3.300 . 3.300 2.618 2.569 2.684 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 14 TRP H 1 17 PHE QB 5.000 . 5.000 4.257 4.042 4.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 14 TRP HZ2 1 15 GLU HA 5.000 . 5.000 4.538 4.165 5.002 0.002 39 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 14 TRP HZ2 1 15 GLU QG 5.000 . 5.000 3.269 2.929 3.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 14 TRP HZ2 1 15 GLU H 5.000 . 5.000 5.228 5.091 5.390 0.390 40 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 15 GLU HA 1 16 ILE QG 5.000 . 5.000 4.658 4.621 4.707 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 15 GLU HA 1 16 ILE H 5.000 . 5.000 3.497 3.485 3.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 15 GLU HA 1 17 PHE H 5.000 . 5.000 4.584 4.465 4.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 15 GLU HA 1 18 ASN HB3 5.000 . 5.000 4.322 4.036 4.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 15 GLU HA 1 18 ASN HB2 5.000 . 5.000 2.766 2.521 3.159 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 15 GLU HA 1 18 ASN QD 5.000 . 5.000 4.166 3.577 4.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 15 GLU HA 1 18 ASN H 5.000 . 5.000 3.624 3.512 3.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 15 GLU HA 1 45 LEU QD 5.000 . 5.000 3.452 3.292 3.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 15 GLU H 1 15 GLU QB 3.300 . 3.300 2.304 2.233 2.378 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 15 GLU QB 1 16 ILE H 5.000 . 5.000 2.226 2.161 2.292 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 15 GLU QB 1 45 LEU QD 5.000 . 5.000 1.639 1.599 1.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 15 GLU H 1 15 GLU QG 3.300 . 3.300 2.301 2.066 2.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 15 GLU QG 1 16 ILE QG 5.000 . 5.000 4.263 4.199 4.324 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 15 GLU QG 1 16 ILE H 5.000 . 5.000 3.914 3.828 3.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 15 GLU QG 1 45 LEU QD 5.000 . 5.000 2.670 2.556 2.832 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 15 GLU H 1 16 ILE HB 5.000 . 5.000 4.703 4.593 5.008 0.008 39 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 15 GLU H 1 16 ILE QG 5.000 . 5.000 4.069 3.812 4.125 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 15 GLU H 1 16 ILE H 5.000 . 5.000 2.744 2.699 2.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 15 GLU H 1 17 PHE QB 5.000 . 5.000 4.536 4.324 4.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 15 GLU H 1 45 LEU QD 5.000 . 5.000 3.682 3.608 3.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 16 ILE HA 1 16 ILE MG 3.300 . 3.300 2.452 2.377 2.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 16 ILE HA 1 17 PHE H 5.000 . 5.000 3.503 3.460 3.520 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 16 ILE HA 1 18 ASN H 5.000 . 5.000 3.824 3.758 3.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 16 ILE HA 1 19 LEU MD1 3.300 . 3.300 2.853 2.803 2.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 16 ILE HA 1 19 LEU MD2 5.000 . 5.000 3.847 3.680 4.182 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 16 ILE HA 1 19 LEU HG 5.000 . 5.000 2.579 2.351 2.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 16 ILE HA 1 19 LEU H 5.000 . 5.000 4.438 4.085 5.067 0.067 18 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 16 ILE HA 1 22 LEU MD1 5.000 . 5.000 3.144 3.040 3.247 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 16 ILE HA 1 45 LEU MD1 5.000 . 5.000 2.431 2.095 2.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 16 ILE HA 1 48 ALA MB 5.000 . 5.000 2.635 2.525 2.724 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 16 ILE H 1 16 ILE HB 3.300 . 3.300 2.323 2.264 2.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 16 ILE HB 1 17 PHE H 5.000 . 5.000 2.450 2.035 2.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 16 ILE HB 1 18 ASN H 5.000 . 5.000 4.692 4.458 4.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 16 ILE HB 1 31 ILE MD 5.000 . 5.000 2.841 2.423 3.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 16 ILE HB 1 45 LEU QD 5.000 . 5.000 3.591 3.468 3.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 16 ILE MD 1 16 ILE MG 3.300 . 3.300 1.884 1.536 1.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 16 ILE H 1 16 ILE MD 5.000 . 5.000 3.328 3.252 3.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 16 ILE MD 1 17 PHE H 5.000 . 5.000 4.431 4.382 4.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 16 ILE MD 1 22 LEU MD1 6.000 . 6.000 4.257 3.934 4.326 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 16 ILE MD 1 27 VAL HA 5.000 . 5.000 4.217 4.154 4.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 16 ILE MD 1 30 PHE HA 5.000 . 5.000 3.822 3.673 3.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 16 ILE MD 1 30 PHE HB3 5.000 . 5.000 1.887 1.786 1.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 16 ILE MD 1 30 PHE HB2 5.000 . 5.000 2.189 2.123 2.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 16 ILE MD 1 30 PHE QD 5.000 . 5.000 3.498 3.274 3.555 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 16 ILE MD 1 30 PHE H 5.000 . 5.000 4.302 4.131 4.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 16 ILE MD 1 31 ILE HA 5.000 . 5.000 3.680 3.478 4.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 16 ILE MD 1 31 ILE MD 5.000 . 5.000 3.096 2.569 3.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 16 ILE MD 1 34 LEU QD 5.000 . 5.000 2.348 2.041 3.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 16 ILE MD 1 44 LEU HA 5.000 . 5.000 3.881 3.770 3.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 16 ILE MD 1 44 LEU QB 5.000 . 5.000 2.208 2.138 2.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 16 ILE MD 1 44 LEU MD2 6.000 . 6.000 4.203 4.151 4.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 16 ILE MD 1 44 LEU H 5.000 . 5.000 4.311 4.271 4.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 16 ILE MD 1 45 LEU HA 3.300 . 3.300 2.753 2.279 2.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 16 ILE MD 1 45 LEU QB 5.000 . 5.000 3.903 3.734 3.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 16 ILE MD 1 45 LEU QD 5.000 . 5.000 2.215 1.969 2.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 16 ILE MD 1 45 LEU H 5.000 . 5.000 3.168 3.075 3.255 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 16 ILE MD 1 48 ALA MB 5.000 . 5.000 2.775 1.921 3.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 16 ILE QG 1 16 ILE MG 3.300 . 3.300 2.313 2.240 2.646 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 16 ILE H 1 16 ILE QG 5.000 . 5.000 1.935 1.805 1.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 16 ILE QG 1 45 LEU HA 5.000 . 5.000 2.015 1.840 3.212 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 16 ILE QG 1 45 LEU QD 5.000 . 5.000 1.716 1.639 1.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 16 ILE MG 1 17 PHE HA 5.000 . 5.000 3.801 3.703 3.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 16 ILE MG 1 17 PHE H 5.000 . 5.000 3.469 3.332 3.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 16 ILE MG 1 27 VAL MG2 5.000 . 5.000 2.931 2.756 3.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 16 ILE MG 1 30 PHE HA 5.000 . 5.000 4.377 4.335 4.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 16 ILE MG 1 30 PHE HB3 5.000 . 5.000 2.550 2.489 2.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 16 ILE MG 1 30 PHE QD 5.000 . 5.000 2.163 2.111 2.240 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 16 ILE MG 1 30 PHE QE 5.000 . 5.000 3.774 3.745 3.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 16 ILE MG 1 30 PHE H 5.000 . 5.000 3.733 3.587 3.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 16 ILE MG 1 31 ILE QG 5.000 . 5.000 3.584 3.041 3.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 16 ILE MG 1 31 ILE H 5.000 . 5.000 3.775 3.473 3.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 16 ILE MG 1 45 LEU HA 5.000 . 5.000 3.649 3.351 3.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 16 ILE MG 1 48 ALA H 5.000 . 5.000 4.194 4.162 4.224 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 16 ILE H 1 17 PHE QB 5.000 . 5.000 4.157 4.054 4.197 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 16 ILE H 1 18 ASN H 5.000 . 5.000 3.776 3.729 3.847 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 16 ILE H 1 45 LEU QD 5.000 . 5.000 2.618 2.497 2.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 17 PHE HA 1 18 ASN H 5.000 . 5.000 3.440 3.428 3.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 17 PHE HA 1 19 LEU H 5.000 . 5.000 3.371 3.255 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 17 PHE HA 1 27 VAL MG1 5.000 . 5.000 2.133 2.056 2.302 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 17 PHE H 1 17 PHE QB 3.300 . 3.300 2.077 2.050 2.115 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 17 PHE QB 1 18 ASN H 3.300 . 3.300 3.079 2.981 3.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 17 PHE QB 1 19 LEU H 5.000 . 5.000 4.371 4.285 4.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 17 PHE QB 1 27 VAL MG1 5.000 . 5.000 3.147 3.021 3.800 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 17 PHE QB 1 31 ILE MD 5.000 . 5.000 3.902 3.834 4.029 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 17 PHE QD 1 22 LEU MD1 5.000 . 5.000 3.938 3.898 3.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 17 PHE QD 1 27 VAL MG1 5.000 . 5.000 2.402 1.749 2.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 17 PHE QD 1 31 ILE MD 5.000 . 5.000 3.271 2.447 3.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 17 PHE QE 1 27 VAL MG1 3.300 . 3.300 2.636 1.915 2.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 17 PHE QE 1 31 ILE MD 5.000 . 5.000 3.267 2.430 3.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 17 PHE H 1 18 ASN H 3.300 . 3.300 2.660 2.615 2.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 17 PHE H 1 19 LEU H 5.000 . 5.000 4.479 4.294 4.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 17 PHE H 1 27 VAL MG1 5.000 . 5.000 3.030 2.782 3.722 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 17 PHE H 1 31 ILE MD 5.000 . 5.000 3.670 3.456 3.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 18 ASN HA 1 19 LEU H 3.300 . 3.300 3.026 2.759 3.144 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 18 ASN HB3 1 19 LEU H 5.000 . 5.000 4.321 4.219 4.431 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 18 ASN H 1 18 ASN HB2 3.300 . 3.300 2.275 2.182 2.374 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 18 ASN H 1 18 ASN QD 5.000 . 5.000 3.504 2.612 4.470 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 18 ASN H 1 19 LEU MD2 5.000 . 5.000 4.388 4.324 4.433 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 19 LEU HA 1 19 LEU MD2 3.300 . 3.300 1.800 1.785 1.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 19 LEU HA 1 20 PRO QD 5.000 . 5.000 1.835 1.806 1.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 19 LEU HA 1 20 PRO QG 5.000 . 5.000 3.754 3.702 3.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 19 LEU HA 1 21 ASN H 5.000 . 5.000 3.938 3.764 4.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 19 LEU HA 1 52 ASN QD 5.000 . 5.000 4.424 4.016 4.520 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 19 LEU HB3 1 20 PRO QD 5.000 . 5.000 3.015 2.478 3.290 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 19 LEU HB3 1 21 ASN H 5.000 . 5.000 2.664 2.608 2.707 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 19 LEU HB3 1 22 LEU MD1 5.000 . 5.000 3.193 3.056 3.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 19 LEU HB3 1 22 LEU HG 5.000 . 5.000 2.187 2.065 2.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 19 LEU HB3 1 22 LEU H 5.000 . 5.000 2.992 2.871 3.128 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 19 LEU HB3 1 52 ASN QB 5.000 . 5.000 2.065 1.915 2.202 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 19 LEU HB3 1 52 ASN H 5.000 . 5.000 4.601 4.519 4.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 19 LEU HB2 1 22 LEU MD1 5.000 . 5.000 2.191 2.067 2.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 19 LEU HB2 1 52 ASN QB 5.000 . 5.000 3.339 3.048 3.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 19 LEU MD1 1 19 LEU MD2 2.700 . 2.700 1.919 1.894 1.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 19 LEU H 1 19 LEU MD1 5.000 . 5.000 4.089 3.994 4.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 19 LEU MD1 1 21 ASN H 5.000 . 5.000 4.313 4.233 4.359 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 19 LEU MD1 1 22 LEU MD1 3.300 . 3.300 1.888 1.840 1.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 19 LEU MD1 1 22 LEU HG 5.000 . 5.000 2.147 1.929 2.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 19 LEU MD1 1 22 LEU H 5.000 . 5.000 4.183 4.030 4.234 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 19 LEU MD1 1 48 ALA HA 5.000 . 5.000 3.139 3.073 3.224 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 19 LEU MD1 1 49 LYS HA 5.000 . 5.000 2.017 1.883 2.111 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 19 LEU MD1 1 49 LYS QE 5.000 . 5.000 3.542 3.162 3.759 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 19 LEU MD1 1 49 LYS QG 5.000 . 5.000 3.292 2.352 3.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 19 LEU MD1 1 49 LYS H 5.000 . 5.000 3.076 2.957 3.141 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 19 LEU MD1 1 50 LYS H 5.000 . 5.000 4.312 4.269 4.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 19 LEU MD1 1 51 LEU H 5.000 . 5.000 4.205 4.129 4.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 19 LEU MD1 1 52 ASN HA 5.000 . 5.000 3.777 3.627 3.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 19 LEU MD1 1 52 ASN H 5.000 . 5.000 2.919 2.800 3.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 19 LEU MD1 1 53 ASP H 5.000 . 5.000 4.233 4.182 4.292 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 19 LEU H 1 19 LEU MD2 5.000 . 5.000 3.486 3.384 3.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 19 LEU MD2 1 20 PRO HA 6.000 . 6.000 5.280 5.114 5.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 19 LEU MD2 1 20 PRO QD 5.000 . 5.000 2.322 1.996 2.487 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 19 LEU MD2 1 21 ASN H 5.000 . 5.000 4.192 4.022 4.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 19 LEU MD2 1 48 ALA MB 5.000 . 5.000 3.579 3.484 3.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 19 LEU MD2 1 49 LYS HA 3.300 . 3.300 2.869 2.815 2.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 19 LEU MD2 1 49 LYS QE 5.000 . 5.000 2.816 2.280 3.384 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 19 LEU MD2 1 49 LYS QG 5.000 . 5.000 3.153 2.093 3.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 19 LEU MD2 1 52 ASN QB 5.000 . 5.000 2.893 2.604 3.184 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 19 LEU MD2 1 52 ASN QD 5.000 . 5.000 3.302 2.988 3.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 19 LEU MD2 1 52 ASN H 6.000 . 6.000 4.787 4.568 4.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 19 LEU H 1 19 LEU HG 5.000 . 5.000 2.885 2.737 3.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 19 LEU HG 1 22 LEU MD1 5.000 . 5.000 2.736 2.646 3.075 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 19 LEU H 1 20 PRO HA 5.000 . 5.000 5.142 5.104 5.194 0.194 10 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 19 LEU H 1 20 PRO QD 5.000 . 5.000 4.262 4.196 4.343 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 19 LEU H 1 21 ASN H 5.000 . 5.000 5.038 4.987 5.097 0.097 36 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 19 LEU H 1 22 LEU MD1 5.000 . 5.000 3.437 3.300 3.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 19 LEU H 1 22 LEU HG 5.000 . 5.000 4.302 4.247 4.389 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 19 LEU H 1 22 LEU H 5.000 . 5.000 4.722 4.335 5.013 0.013 36 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 20 PRO HA 1 21 ASN H 5.000 . 5.000 3.415 3.294 3.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 20 PRO HA 1 22 LEU H 5.000 . 5.000 4.398 4.142 4.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 20 PRO QB 1 21 ASN H 5.000 . 5.000 3.654 3.368 3.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 20 PRO QD 1 21 ASN H 5.000 . 5.000 2.967 2.813 3.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 20 PRO QD 1 22 LEU H 5.000 . 5.000 4.509 4.419 4.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 20 PRO QD 1 52 ASN QD 5.000 . 5.000 2.412 2.217 2.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 20 PRO QG 1 21 ASN QD 5.000 . 5.000 3.573 2.858 3.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 20 PRO QG 1 21 ASN H 5.000 . 5.000 4.200 3.809 4.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 20 PRO QG 1 52 ASN QD 5.000 . 5.000 3.229 2.000 3.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 21 ASN HA 1 22 LEU H 5.000 . 5.000 3.345 3.200 3.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 21 ASN HA 1 52 ASN HA 5.000 . 5.000 4.757 4.587 4.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 21 ASN HA 1 55 GLN HB2 5.000 . 5.000 4.495 4.242 4.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 21 ASN HA 1 56 ALA HA 5.000 . 5.000 4.946 4.690 5.178 0.178 7 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 21 ASN H 1 21 ASN QB 3.300 . 3.300 2.701 2.567 2.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 21 ASN QB 1 22 LEU H 5.000 . 5.000 3.412 3.195 3.666 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 21 ASN QB 1 52 ASN HA 5.000 . 5.000 2.103 1.860 2.638 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 21 ASN QB 1 55 GLN HA 5.000 . 5.000 3.803 3.713 3.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 21 ASN QB 1 55 GLN HB3 5.000 . 5.000 1.926 1.867 2.078 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 21 ASN QB 1 55 GLN HB2 5.000 . 5.000 2.318 1.890 2.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 21 ASN QB 1 55 GLN QE 5.000 . 5.000 3.608 2.712 3.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 21 ASN QB 1 55 GLN QG 5.000 . 5.000 3.813 3.605 3.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 21 ASN QB 1 55 GLN H 5.000 . 5.000 3.467 3.324 3.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 21 ASN QB 1 56 ALA HA 5.000 . 5.000 3.168 3.028 3.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 21 ASN QB 1 56 ALA MB 5.000 . 5.000 3.445 3.014 3.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 21 ASN QB 1 56 ALA H 5.000 . 5.000 3.477 3.252 3.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 21 ASN H 1 21 ASN QD 5.000 . 5.000 3.513 2.886 4.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 21 ASN QD 1 52 ASN HA 5.000 . 5.000 3.542 3.258 4.224 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 21 ASN QD 1 52 ASN QB 5.000 . 5.000 3.628 3.290 4.054 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 21 ASN QD 1 52 ASN QD 5.000 . 5.000 2.018 1.426 3.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 21 ASN QD 1 53 ASP HA 5.000 . 5.000 3.574 3.222 4.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 21 ASN QD 1 55 GLN HB2 5.000 . 5.000 4.308 3.844 4.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 21 ASN QD 1 56 ALA HA 5.000 . 5.000 2.540 1.705 3.107 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 21 ASN QD 1 56 ALA MB 5.000 . 5.000 2.048 1.853 2.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 21 ASN QD 1 56 ALA H 5.000 . 5.000 3.565 3.385 4.332 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 21 ASN QD 1 57 PRO QD 5.000 . 5.000 2.910 2.610 3.336 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 21 ASN H 1 22 LEU HA 5.000 . 5.000 4.481 4.389 4.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 21 ASN H 1 22 LEU MD2 5.000 . 5.000 4.346 4.304 4.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 21 ASN H 1 22 LEU HG 5.000 . 5.000 3.504 3.382 3.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 21 ASN H 1 22 LEU H 2.700 . 2.700 1.975 1.824 2.176 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 21 ASN H 1 52 ASN HA 5.000 . 5.000 3.726 3.502 3.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 21 ASN H 1 52 ASN QB 5.000 . 5.000 3.233 2.310 3.626 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 21 ASN H 1 52 ASN QD 5.000 . 5.000 3.620 2.084 4.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 21 ASN H 1 55 GLN HB3 5.000 . 5.000 5.225 5.159 5.286 0.286 24 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 22 LEU HA 1 22 LEU MD2 3.300 . 3.300 1.989 1.816 2.065 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 22 LEU HA 1 23 ASN H 2.700 . 2.700 2.266 2.197 2.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 22 LEU HA 1 26 GLN HB3 5.000 . 5.000 4.203 4.061 4.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 22 LEU HA 1 26 GLN QG 5.000 . 5.000 4.557 4.382 4.619 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 22 LEU HA 1 27 VAL MG2 5.000 . 5.000 3.834 3.651 3.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 22 LEU HA 1 55 GLN QE 5.000 . 5.000 1.921 1.798 2.115 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 22 LEU HB3 1 23 ASN H 3.300 . 3.300 2.289 2.142 2.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 22 LEU HB3 1 26 GLN HB2 5.000 . 5.000 3.007 2.698 3.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 22 LEU HB2 1 22 LEU MD1 3.300 . 3.300 2.314 2.264 2.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 22 LEU MD1 1 22 LEU MD2 2.700 . 2.700 2.010 1.987 2.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 22 LEU H 1 22 LEU MD1 5.000 . 5.000 3.833 3.749 4.123 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 22 LEU MD1 1 27 VAL HA 5.000 . 5.000 2.534 2.265 2.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 22 LEU MD1 1 48 ALA MB 5.000 . 5.000 2.230 2.090 2.349 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 22 LEU MD1 1 52 ASN QB 5.000 . 5.000 3.472 3.339 3.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 22 LEU H 1 22 LEU MD2 5.000 . 5.000 3.385 3.258 3.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 22 LEU MD2 1 23 ASN H 5.000 . 5.000 2.769 2.444 2.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 22 LEU MD2 1 26 GLN HB2 5.000 . 5.000 2.214 2.099 2.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 22 LEU MD2 1 26 GLN QE 5.000 . 5.000 2.308 1.649 3.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 22 LEU MD2 1 26 GLN H 5.000 . 5.000 4.361 4.276 4.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 22 LEU MD2 1 30 PHE QD 5.000 . 5.000 3.288 3.062 3.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 22 LEU MD2 1 30 PHE QE 5.000 . 5.000 2.196 2.010 2.358 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 22 LEU MD2 1 48 ALA HA 5.000 . 5.000 2.869 2.601 3.045 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 22 LEU MD2 1 48 ALA MB 5.000 . 5.000 3.191 3.015 3.384 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 22 LEU MD2 1 51 LEU HA 5.000 . 5.000 4.177 4.074 4.269 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 22 LEU MD2 1 52 ASN HA 3.300 . 3.300 2.598 2.348 2.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 22 LEU MD2 1 52 ASN QB 5.000 . 5.000 2.786 2.556 3.030 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 22 LEU MD2 1 52 ASN H 3.300 . 3.300 2.798 2.752 2.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 22 LEU MD2 1 55 GLN QE 5.000 . 5.000 2.355 1.780 2.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 22 LEU H 1 22 LEU HG 5.000 . 5.000 2.504 2.315 3.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 22 LEU HG 1 52 ASN QB 5.000 . 5.000 2.505 2.131 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 22 LEU H 1 23 ASN H 5.000 . 5.000 4.551 4.517 4.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 22 LEU H 1 27 VAL MG2 5.000 . 5.000 4.380 4.185 4.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 22 LEU H 1 52 ASN HA 5.000 . 5.000 3.882 3.632 4.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 22 LEU H 1 52 ASN QB 5.000 . 5.000 3.615 2.890 4.011 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 23 ASN HA 1 24 GLY H 5.000 . 5.000 2.347 2.295 2.408 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 23 ASN HA 1 25 VAL H 5.000 . 5.000 4.075 3.856 4.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 23 ASN HA 1 26 GLN H 5.000 . 5.000 4.710 4.510 4.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 23 ASN HA 1 27 VAL MG2 5.000 . 5.000 3.895 3.433 4.070 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 23 ASN QB 1 24 GLY H 5.000 . 5.000 3.003 2.515 3.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 23 ASN QB 1 25 VAL H 5.000 . 5.000 2.826 2.398 3.389 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 23 ASN H 1 23 ASN QD 5.000 . 5.000 3.843 1.970 4.490 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 23 ASN QD 1 25 VAL HB 5.000 . 5.000 2.827 1.815 3.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 23 ASN QD 1 25 VAL H 5.000 . 5.000 3.239 1.593 4.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 23 ASN QD 1 26 GLN QG 5.000 . 5.000 3.026 1.746 4.014 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
366 1 23 ASN QD 1 26 GLN H 5.000 . 5.000 3.353 1.870 4.408 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 23 ASN H 1 25 VAL HB 5.000 . 5.000 5.047 4.887 5.105 0.105 10 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 23 ASN H 1 25 VAL H 5.000 . 5.000 4.408 4.245 4.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 23 ASN H 1 26 GLN HA 5.000 . 5.000 5.003 4.854 5.087 0.087 14 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 23 ASN H 1 26 GLN HB3 5.000 . 5.000 3.767 3.580 3.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 23 ASN H 1 26 GLN HB2 3.300 . 3.300 2.133 1.959 2.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 23 ASN H 1 26 GLN QG 5.000 . 5.000 3.501 3.079 3.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 23 ASN H 1 26 GLN H 5.000 . 5.000 3.200 3.111 3.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 23 ASN H 1 27 VAL MG2 5.000 . 5.000 3.115 2.679 3.270 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
375 1 23 ASN H 1 27 VAL H 5.000 . 5.000 3.314 3.134 3.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 23 ASN H 1 55 GLN QE 5.000 . 5.000 2.545 1.845 3.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 24 GLY QA 1 25 VAL H 5.000 . 5.000 2.839 2.804 2.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 24 GLY QA 1 27 VAL HB 5.000 . 5.000 2.826 2.711 2.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 24 GLY QA 1 27 VAL MG2 5.000 . 5.000 3.037 2.770 3.238 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
380 1 24 GLY QA 1 27 VAL H 5.000 . 5.000 3.703 3.605 3.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
381 1 24 GLY H 1 25 VAL H 5.000 . 5.000 2.858 2.716 3.062 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 24 GLY H 1 27 VAL HB 5.000 . 5.000 5.135 5.061 5.164 0.164 24 0 "[ . 1 . 2 . 3 . 4]" 1
383 1 24 GLY H 1 27 VAL MG2 5.000 . 5.000 4.121 3.772 4.197 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
384 1 25 VAL HA 1 25 VAL MG1 2.700 . 2.700 2.307 2.288 2.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
385 1 25 VAL HA 1 25 VAL MG2 2.700 . 2.700 2.296 2.287 2.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
386 1 25 VAL HA 1 26 GLN H 5.000 . 5.000 3.587 3.568 3.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 25 VAL HA 1 28 LYS QB 5.000 . 5.000 2.831 2.559 3.107 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 25 VAL HA 1 28 LYS H 5.000 . 5.000 3.933 3.790 4.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 25 VAL HA 1 29 ALA H 5.000 . 5.000 4.271 4.161 4.470 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 25 VAL H 1 25 VAL HB 2.700 . 2.700 2.458 2.404 2.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 25 VAL HB 1 26 GLN HA 5.000 . 5.000 4.311 4.259 4.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 25 VAL HB 1 26 GLN QG 5.000 . 5.000 3.046 2.801 3.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 25 VAL HB 1 26 GLN H 3.300 . 3.300 2.444 2.348 2.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 25 VAL HB 1 27 VAL H 5.000 . 5.000 4.958 4.813 5.021 0.021 11 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 25 VAL MG1 1 26 GLN HA 5.000 . 5.000 3.417 3.358 3.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 25 VAL MG1 1 26 GLN QG 5.000 . 5.000 3.186 2.769 3.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 25 VAL H 1 25 VAL MG2 2.700 . 2.700 2.202 2.174 2.227 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 25 VAL MG2 1 26 GLN H 5.000 . 5.000 3.807 3.748 3.871 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 25 VAL H 1 26 GLN HB3 6.000 . 6.000 6.103 6.061 6.129 0.129 1 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 25 VAL H 1 26 GLN QG 5.000 . 5.000 4.304 4.085 4.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 25 VAL H 1 26 GLN H 2.700 . 2.700 2.638 2.599 2.676 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 25 VAL H 1 27 VAL H 5.000 . 5.000 4.056 3.927 4.142 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
403 1 26 GLN HA 1 26 GLN QE 5.000 . 5.000 4.280 4.055 4.638 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 26 GLN HA 1 27 VAL H 5.000 . 5.000 3.550 3.528 3.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 26 GLN HA 1 29 ALA MB 3.300 . 3.300 2.243 2.111 2.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 26 GLN HA 1 29 ALA H 5.000 . 5.000 3.333 3.189 3.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 26 GLN HA 1 30 PHE QD 5.000 . 5.000 4.562 4.521 4.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
408 1 26 GLN HA 1 30 PHE H 5.000 . 5.000 4.336 4.159 4.465 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
409 1 26 GLN HB3 1 27 VAL H 5.000 . 5.000 3.512 3.351 3.757 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 26 GLN H 1 26 GLN HB2 2.700 . 2.700 2.362 2.295 2.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 26 GLN HB2 1 27 VAL H 5.000 . 5.000 2.537 2.408 2.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 26 GLN H 1 26 GLN QE 5.000 . 5.000 4.242 2.913 4.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
413 1 26 GLN QE 1 51 LEU QD 5.000 . 5.000 2.138 1.784 3.317 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 26 GLN QE 1 51 LEU HG 5.000 . 5.000 3.474 2.820 4.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
415 1 26 GLN QE 1 55 GLN QE 5.000 . 5.000 1.866 1.518 2.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 26 GLN H 1 26 GLN QG 5.000 . 5.000 2.195 1.999 2.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 26 GLN QG 1 27 VAL H 5.000 . 5.000 4.048 3.931 4.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
418 1 26 GLN QG 1 29 ALA MB 5.000 . 5.000 3.833 3.791 3.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
419 1 26 GLN H 1 27 VAL H 2.700 . 2.700 2.662 2.623 2.704 0.004 27 0 "[ . 1 . 2 . 3 . 4]" 1
420 1 26 GLN H 1 28 LYS H 5.000 . 5.000 4.233 4.164 4.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
421 1 27 VAL HA 1 27 VAL MG2 3.300 . 3.300 2.342 2.288 2.613 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
422 1 27 VAL HA 1 28 LYS H 5.000 . 5.000 3.534 3.513 3.557 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
423 1 27 VAL HA 1 29 ALA H 5.000 . 5.000 4.151 4.100 4.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
424 1 27 VAL HA 1 30 PHE HB3 5.000 . 5.000 4.592 4.468 4.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
425 1 27 VAL HA 1 30 PHE HB2 5.000 . 5.000 2.934 2.801 3.148 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
426 1 27 VAL HA 1 30 PHE QD 5.000 . 5.000 2.204 2.127 2.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
427 1 27 VAL HA 1 30 PHE H 5.000 . 5.000 3.337 3.264 3.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
428 1 27 VAL HA 1 31 ILE H 5.000 . 5.000 4.036 3.932 4.182 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
429 1 27 VAL H 1 27 VAL HB 2.700 . 2.700 2.596 2.547 2.713 0.013 36 0 "[ . 1 . 2 . 3 . 4]" 1
430 1 27 VAL HB 1 28 LYS H 5.000 . 5.000 2.306 2.089 2.391 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
431 1 27 VAL MG1 1 27 VAL MG2 2.700 . 2.700 1.880 1.874 1.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
432 1 27 VAL MG1 1 28 LYS HA 5.000 . 5.000 3.699 3.633 3.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
433 1 27 VAL MG1 1 28 LYS H 5.000 . 5.000 3.392 3.331 3.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
434 1 27 VAL MG1 1 31 ILE QG 5.000 . 5.000 2.617 2.247 3.080 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
435 1 27 VAL MG1 1 31 ILE H 5.000 . 5.000 3.682 3.548 3.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 27 VAL H 1 27 VAL MG2 2.700 . 2.700 2.173 1.718 2.238 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 27 VAL MG2 1 28 LYS H 5.000 . 5.000 3.652 3.423 3.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 27 VAL H 1 28 LYS H 3.300 . 3.300 2.718 2.632 2.800 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 27 VAL H 1 29 ALA H 5.000 . 5.000 3.885 3.806 3.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 28 LYS HA 1 28 LYS QD 5.000 . 5.000 3.068 1.999 4.125 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 28 LYS HA 1 28 LYS QE 5.000 . 5.000 4.187 2.542 4.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
442 1 28 LYS HA 1 29 ALA H 5.000 . 5.000 3.508 3.492 3.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 28 LYS HA 1 30 PHE H 5.000 . 5.000 4.308 4.239 4.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 28 LYS HA 1 31 ILE HB 5.000 . 5.000 2.221 2.081 2.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 28 LYS HA 1 31 ILE MD 5.000 . 5.000 3.125 2.279 3.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 28 LYS HA 1 31 ILE QG 5.000 . 5.000 2.909 1.910 4.258 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
447 1 28 LYS HA 1 31 ILE MG 5.000 . 5.000 3.640 3.544 3.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 28 LYS HA 1 31 ILE H 5.000 . 5.000 3.182 2.962 3.488 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 28 LYS HA 1 32 ASP H 5.000 . 5.000 3.678 3.609 3.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 28 LYS H 1 28 LYS QB 2.700 . 2.700 2.288 2.237 2.412 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 28 LYS QB 1 29 ALA HA 5.000 . 5.000 4.068 3.895 4.237 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 28 LYS QB 1 29 ALA H 5.000 . 5.000 2.718 2.668 2.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
453 1 28 LYS H 1 28 LYS QD 5.000 . 5.000 4.155 3.683 4.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
454 1 28 LYS H 1 28 LYS QG 5.000 . 5.000 3.475 2.271 4.060 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 28 LYS H 1 29 ALA MB 5.000 . 5.000 4.229 4.190 4.262 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
456 1 28 LYS H 1 29 ALA H 2.700 . 2.700 2.675 2.628 2.706 0.006 13 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 28 LYS H 1 30 PHE H 5.000 . 5.000 4.206 4.158 4.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
458 1 28 LYS H 1 31 ILE MD 5.000 . 5.000 4.079 3.469 4.557 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 29 ALA HA 1 30 PHE H 5.000 . 5.000 3.559 3.548 3.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 29 ALA HA 1 32 ASP QB 5.000 . 5.000 2.381 2.245 2.555 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 29 ALA HA 1 32 ASP H 5.000 . 5.000 3.334 3.281 3.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
462 1 29 ALA H 1 29 ALA MB 2.700 . 2.700 2.026 2.009 2.071 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 29 ALA MB 1 30 PHE HA 5.000 . 5.000 3.684 3.656 3.752 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
464 1 29 ALA MB 1 30 PHE QD 5.000 . 5.000 3.605 3.567 3.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 29 ALA MB 1 30 PHE QE 5.000 . 5.000 3.745 3.713 3.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 29 ALA MB 1 30 PHE H 5.000 . 5.000 2.609 2.535 2.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
467 1 29 ALA MB 1 32 ASP QB 5.000 . 5.000 3.766 3.663 3.830 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 29 ALA MB 1 32 ASP H 5.000 . 5.000 4.380 4.365 4.408 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 29 ALA H 1 30 PHE HA 5.000 . 5.000 5.206 5.179 5.244 0.244 30 0 "[ . 1 . 2 . 3 . 4]" 1
470 1 29 ALA H 1 30 PHE H 2.700 . 2.700 2.630 2.590 2.676 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 29 ALA H 1 31 ILE H 5.000 . 5.000 3.860 3.731 4.041 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 29 ALA H 1 32 ASP H 5.000 . 5.000 4.278 4.231 4.320 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
473 1 30 PHE HA 1 30 PHE QD 2.700 . 2.700 2.033 1.954 2.141 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 30 PHE HA 1 31 ILE H 5.000 . 5.000 3.498 3.470 3.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 30 PHE HA 1 32 ASP H 5.000 . 5.000 4.038 3.914 4.146 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 30 PHE HA 1 33 SER QB 3.300 . 3.300 2.751 2.421 3.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 30 PHE HA 1 33 SER H 5.000 . 5.000 3.145 2.877 3.362 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 30 PHE HA 1 34 LEU H 5.000 . 5.000 4.342 4.050 4.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 30 PHE HA 1 44 LEU MD1 5.000 . 5.000 3.943 3.742 4.171 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 30 PHE HA 1 44 LEU MD2 5.000 . 5.000 3.336 3.185 3.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 30 PHE H 1 30 PHE HB3 3.300 . 3.300 3.525 3.519 3.537 0.237 36 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 30 PHE HB3 1 31 ILE H 5.000 . 5.000 3.764 3.647 3.861 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
483 1 30 PHE HB3 1 48 ALA MB 5.000 . 5.000 3.289 3.092 3.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 30 PHE H 1 30 PHE HB2 2.700 . 2.700 2.408 2.354 2.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 30 PHE HB2 1 31 ILE H 3.300 . 3.300 2.709 2.597 2.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 30 PHE HB2 1 32 ASP H 5.000 . 5.000 4.854 4.770 4.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 30 PHE H 1 30 PHE QD 5.000 . 5.000 3.034 2.900 3.112 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
488 1 30 PHE QD 1 44 LEU HA 5.000 . 5.000 3.226 2.927 3.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
489 1 30 PHE QD 1 44 LEU QB 5.000 . 5.000 3.327 3.058 3.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
490 1 30 PHE QD 1 44 LEU MD2 5.000 . 5.000 3.143 2.854 3.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
491 1 30 PHE QD 1 47 GLU QB 5.000 . 5.000 2.862 2.733 2.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
492 1 30 PHE QD 1 47 GLU QG 5.000 . 5.000 3.979 3.883 4.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
493 1 30 PHE QD 1 48 ALA HA 5.000 . 5.000 3.220 3.073 3.421 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
494 1 30 PHE QD 1 48 ALA MB 5.000 . 5.000 2.900 2.741 3.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
495 1 30 PHE QD 1 48 ALA H 5.000 . 5.000 4.310 4.209 4.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
496 1 30 PHE QD 1 51 LEU QB 5.000 . 5.000 4.105 4.057 4.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
497 1 30 PHE QE 1 47 GLU QB 5.000 . 5.000 1.970 1.863 2.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
498 1 30 PHE QE 1 47 GLU QG 5.000 . 5.000 3.555 3.350 3.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
499 1 30 PHE QE 1 48 ALA HA 5.000 . 5.000 2.516 2.352 2.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
500 1 30 PHE QE 1 48 ALA MB 5.000 . 5.000 3.511 3.421 3.638 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
501 1 30 PHE QE 1 51 LEU QB 5.000 . 5.000 2.187 2.066 2.390 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
502 1 30 PHE QE 1 51 LEU QD 5.000 . 5.000 2.834 1.961 2.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
503 1 30 PHE H 1 31 ILE HA 5.000 . 5.000 5.067 5.047 5.091 0.091 40 0 "[ . 1 . 2 . 3 . 4]" 1
504 1 30 PHE H 1 31 ILE HB 5.000 . 5.000 4.683 4.416 4.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
505 1 30 PHE H 1 31 ILE MD 5.000 . 5.000 3.978 3.742 4.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
506 1 30 PHE H 1 31 ILE QG 5.000 . 5.000 4.226 4.086 4.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
507 1 30 PHE H 1 31 ILE H 3.300 . 3.300 2.408 2.389 2.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
508 1 30 PHE H 1 32 ASP H 5.000 . 5.000 3.660 3.582 3.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
509 1 31 ILE HA 1 32 ASP H 5.000 . 5.000 3.516 3.500 3.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
510 1 31 ILE HA 1 34 LEU QB 5.000 . 5.000 2.254 1.914 2.923 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
511 1 31 ILE HA 1 34 LEU HG 5.000 . 5.000 3.863 3.260 4.854 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
512 1 31 ILE HA 1 34 LEU H 5.000 . 5.000 3.172 2.765 3.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
513 1 31 ILE HA 1 35 ARG H 5.000 . 5.000 4.639 4.260 5.055 0.055 13 0 "[ . 1 . 2 . 3 . 4]" 1
514 1 31 ILE H 1 31 ILE HB 3.300 . 3.300 2.571 2.324 2.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
515 1 31 ILE HB 1 32 ASP H 5.000 . 5.000 2.836 2.754 2.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
516 1 31 ILE MD 1 31 ILE MG 3.300 . 3.300 2.344 2.326 2.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
517 1 31 ILE H 1 31 ILE MD 5.000 . 5.000 2.544 2.259 2.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
518 1 31 ILE MD 1 32 ASP H 5.000 . 5.000 4.262 4.170 4.374 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
519 1 31 ILE H 1 31 ILE QG 5.000 . 5.000 2.421 2.357 2.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
520 1 31 ILE QG 1 32 ASP H 5.000 . 5.000 4.091 3.961 4.238 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
521 1 31 ILE MG 1 32 ASP HA 5.000 . 5.000 3.795 3.580 3.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
522 1 31 ILE MG 1 32 ASP H 5.000 . 5.000 3.721 3.536 3.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
523 1 31 ILE MG 1 35 ARG QD 5.000 . 5.000 3.330 2.699 3.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
524 1 31 ILE H 1 32 ASP H 3.300 . 3.300 2.476 2.436 2.501 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
525 1 31 ILE H 1 33 SER H 5.000 . 5.000 3.985 3.860 4.138 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
526 1 32 ASP HA 1 33 SER H 5.000 . 5.000 3.514 3.482 3.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
527 1 32 ASP HA 1 34 LEU H 5.000 . 5.000 4.100 4.035 4.229 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
528 1 32 ASP HA 1 35 ARG QB 5.000 . 5.000 3.678 3.139 4.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
529 1 32 ASP HA 1 35 ARG QD 5.000 . 5.000 2.517 1.986 4.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
530 1 32 ASP HA 1 35 ARG QG 5.000 . 5.000 3.485 2.297 4.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
531 1 32 ASP HA 1 35 ARG H 5.000 . 5.000 3.650 3.422 3.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
532 1 32 ASP HA 1 36 ASP H 5.000 . 5.000 4.657 4.369 5.042 0.042 17 0 "[ . 1 . 2 . 3 . 4]" 1
533 1 32 ASP QB 1 33 SER H 5.000 . 5.000 2.617 2.472 2.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
534 1 32 ASP H 1 33 SER H 3.300 . 3.300 2.541 2.494 2.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
535 1 32 ASP H 1 34 LEU H 5.000 . 5.000 3.862 3.790 4.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
536 1 33 SER HA 1 34 LEU H 5.000 . 5.000 3.501 3.473 3.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
537 1 33 SER HA 1 36 ASP QB 5.000 . 5.000 2.346 2.139 2.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
538 1 33 SER HA 1 36 ASP H 5.000 . 5.000 3.250 3.093 3.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
539 1 33 SER HA 1 37 ASP H 5.000 . 5.000 4.126 3.852 4.520 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
540 1 33 SER HA 1 44 LEU MD1 5.000 . 5.000 3.784 3.650 3.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
541 1 33 SER QB 1 34 LEU H 5.000 . 5.000 2.826 2.709 3.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
542 1 33 SER QB 1 44 LEU MD1 5.000 . 5.000 2.113 1.949 2.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
543 1 33 SER QB 1 44 LEU MD2 5.000 . 5.000 1.911 1.765 2.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
544 1 33 SER H 1 34 LEU H 5.000 . 5.000 2.538 2.395 2.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
545 1 34 LEU HA 1 34 LEU QD 3.300 . 3.300 1.905 1.809 2.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
546 1 34 LEU HA 1 35 ARG H 5.000 . 5.000 3.532 3.502 3.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
547 1 34 LEU HA 1 36 ASP H 5.000 . 5.000 4.434 4.311 4.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
548 1 34 LEU HA 1 38 PRO HA 5.000 . 5.000 2.975 2.336 3.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
549 1 34 LEU HA 1 44 LEU MD1 5.000 . 5.000 2.096 1.974 2.304 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
550 1 34 LEU HA 1 44 LEU MD2 5.000 . 5.000 4.311 4.222 4.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
551 1 34 LEU QB 1 34 LEU QD 2.700 . 2.700 1.923 1.843 1.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
552 1 34 LEU QB 1 34 LEU HG 2.700 . 2.700 2.193 2.154 2.362 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
553 1 34 LEU QB 1 35 ARG H 5.000 . 5.000 2.476 2.203 2.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
554 1 34 LEU H 1 34 LEU QD 3.300 . 3.300 2.498 2.086 2.734 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
555 1 34 LEU QD 1 35 ARG H 5.000 . 5.000 3.804 3.748 3.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
556 1 34 LEU QD 1 38 PRO HA 5.000 . 5.000 2.049 1.830 2.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
557 1 34 LEU QD 1 38 PRO QB 5.000 . 5.000 3.004 2.431 3.368 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
558 1 34 LEU QD 1 41 SER QB 5.000 . 5.000 1.900 1.795 2.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
559 1 34 LEU QD 1 41 SER H 5.000 . 5.000 2.889 2.670 3.072 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
560 1 34 LEU H 1 34 LEU HG 5.000 . 5.000 4.377 4.196 4.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
561 1 34 LEU H 1 35 ARG H 5.000 . 5.000 2.746 2.640 2.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
562 1 34 LEU H 1 36 ASP H 5.000 . 5.000 4.018 3.881 4.168 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
563 1 34 LEU H 1 37 ASP H 5.000 . 5.000 4.635 4.496 4.815 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
564 1 34 LEU H 1 44 LEU MD1 5.000 . 5.000 2.604 2.481 2.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
565 1 34 LEU H 1 44 LEU MD2 5.000 . 5.000 4.269 4.219 4.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
566 1 35 ARG HA 1 35 ARG QD 5.000 . 5.000 3.982 2.257 4.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
567 1 35 ARG HA 1 36 ASP H 5.000 . 5.000 3.509 3.472 3.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
568 1 35 ARG HA 1 38 PRO QG 5.000 . 5.000 3.726 3.151 4.414 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
569 1 35 ARG QB 1 36 ASP H 5.000 . 5.000 2.731 2.296 3.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
570 1 35 ARG H 1 35 ARG QD 5.000 . 5.000 3.034 1.917 3.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
571 1 35 ARG QD 1 36 ASP H 5.000 . 5.000 4.375 3.957 4.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
572 1 35 ARG H 1 35 ARG HE 5.000 . 5.000 4.396 2.001 5.029 0.029 19 0 "[ . 1 . 2 . 3 . 4]" 1
573 1 35 ARG HE 1 36 ASP H 5.000 . 5.000 4.917 3.270 5.102 0.102 38 0 "[ . 1 . 2 . 3 . 4]" 1
574 1 35 ARG H 1 35 ARG QG 5.000 . 5.000 2.185 1.723 3.241 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
575 1 35 ARG H 1 36 ASP QB 5.000 . 5.000 4.484 4.330 4.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
576 1 35 ARG H 1 36 ASP H 3.300 . 3.300 2.579 2.495 2.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
577 1 35 ARG H 1 37 ASP H 5.000 . 5.000 3.932 3.815 4.057 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
578 1 36 ASP HA 1 36 ASP QB 2.700 . 2.700 2.379 2.358 2.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
579 1 36 ASP HA 1 37 ASP H 3.300 . 3.300 3.457 3.430 3.475 0.175 11 0 "[ . 1 . 2 . 3 . 4]" 1
580 1 36 ASP H 1 36 ASP QB 2.700 . 2.700 2.364 2.245 2.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
581 1 36 ASP QB 1 37 ASP H 3.300 . 3.300 2.692 2.547 2.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
582 1 36 ASP H 1 37 ASP HA 5.000 . 5.000 5.096 5.049 5.136 0.136 9 0 "[ . 1 . 2 . 3 . 4]" 1
583 1 36 ASP H 1 37 ASP H 2.700 . 2.700 2.527 2.471 2.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
584 1 37 ASP HA 1 38 PRO QB 5.000 . 5.000 4.692 4.672 4.714 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
585 1 37 ASP HA 1 38 PRO QD 3.300 . 3.300 1.874 1.795 1.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
586 1 37 ASP HA 1 38 PRO QG 5.000 . 5.000 3.782 3.682 3.871 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
587 1 37 ASP HA 1 39 SER H 5.000 . 5.000 3.542 3.348 3.741 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
588 1 37 ASP HA 1 40 GLN H 5.000 . 5.000 4.457 4.280 4.638 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
589 1 37 ASP HB3 1 40 GLN QG 5.000 . 5.000 2.109 2.003 2.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
590 1 37 ASP HB3 1 40 GLN H 5.000 . 5.000 3.365 3.043 3.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
591 1 37 ASP H 1 37 ASP HB2 3.300 . 3.300 3.324 3.256 3.353 0.053 32 0 "[ . 1 . 2 . 3 . 4]" 1
592 1 37 ASP HB2 1 38 PRO QD 5.000 . 5.000 4.134 4.064 4.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
593 1 37 ASP HB2 1 39 SER H 5.000 . 5.000 5.035 4.817 5.135 0.135 14 0 "[ . 1 . 2 . 3 . 4]" 1
594 1 37 ASP H 1 38 PRO QD 5.000 . 5.000 3.372 3.161 3.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
595 1 37 ASP H 1 38 PRO QG 5.000 . 5.000 4.541 4.452 4.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
596 1 38 PRO HA 1 39 SER H 5.000 . 5.000 3.476 3.405 3.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
597 1 38 PRO HA 1 40 GLN H 5.000 . 5.000 3.775 3.552 4.114 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
598 1 38 PRO HA 1 41 SER H 5.000 . 5.000 3.568 3.298 3.830 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
599 1 38 PRO HA 1 44 LEU MD1 5.000 . 5.000 3.715 3.305 4.233 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
600 1 38 PRO QB 1 39 SER HA 5.000 . 5.000 3.960 3.907 4.045 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
601 1 38 PRO QB 1 39 SER H 5.000 . 5.000 3.181 2.989 3.387 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
602 1 38 PRO QD 1 39 SER H 5.000 . 5.000 2.345 2.110 2.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
603 1 38 PRO QG 1 39 SER H 5.000 . 5.000 3.697 3.546 3.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
604 1 39 SER HA 1 39 SER QB 2.700 . 2.700 2.325 2.183 2.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
605 1 39 SER HA 1 41 SER H 5.000 . 5.000 3.713 3.575 3.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
606 1 39 SER H 1 40 GLN HA 5.000 . 5.000 5.106 5.048 5.189 0.189 39 0 "[ . 1 . 2 . 3 . 4]" 1
607 1 39 SER H 1 40 GLN QG 5.000 . 5.000 3.746 3.372 4.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
608 1 39 SER H 1 40 GLN H 2.700 . 2.700 2.467 2.415 2.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
609 1 39 SER H 1 41 SER H 5.000 . 5.000 4.128 4.039 4.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
610 1 40 GLN HA 1 40 GLN QE 5.000 . 5.000 3.426 2.704 4.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
611 1 40 GLN HA 1 41 SER H 3.300 . 3.300 3.311 3.090 3.394 0.094 29 0 "[ . 1 . 2 . 3 . 4]" 1
612 1 40 GLN HA 1 42 ALA MB 5.000 . 5.000 4.222 4.034 4.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
613 1 40 GLN HA 1 42 ALA H 5.000 . 5.000 3.734 3.446 3.838 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
614 1 40 GLN HA 1 43 ASN QB 3.300 . 3.300 2.868 2.670 3.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
615 1 40 GLN HA 1 43 ASN QD 5.000 . 5.000 4.294 4.097 4.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
616 1 40 GLN HA 1 43 ASN H 5.000 . 5.000 3.130 3.028 3.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
617 1 40 GLN HA 1 44 LEU MD1 5.000 . 5.000 4.422 4.357 4.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
618 1 40 GLN HA 1 44 LEU HG 5.000 . 5.000 4.079 3.878 4.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
619 1 40 GLN HA 1 44 LEU H 5.000 . 5.000 4.341 4.113 4.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
620 1 40 GLN QB 1 41 SER H 5.000 . 5.000 3.419 3.212 4.051 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
621 1 40 GLN QB 1 43 ASN QB 5.000 . 5.000 2.205 1.926 2.512 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
622 1 40 GLN QB 1 43 ASN QD 5.000 . 5.000 3.452 2.762 3.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
623 1 40 GLN QB 1 43 ASN H 5.000 . 5.000 3.629 3.300 3.846 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
624 1 40 GLN QB 1 44 LEU MD1 5.000 . 5.000 2.497 2.222 3.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
625 1 40 GLN QB 1 44 LEU HG 5.000 . 5.000 2.552 2.285 3.757 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
626 1 40 GLN QB 1 44 LEU H 5.000 . 5.000 3.449 3.253 4.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
627 1 40 GLN H 1 40 GLN QE 5.000 . 5.000 3.753 3.148 4.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
628 1 40 GLN H 1 40 GLN QG 5.000 . 5.000 2.191 1.880 2.608 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
629 1 40 GLN QG 1 44 LEU MD1 5.000 . 5.000 3.619 1.968 3.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
630 1 40 GLN H 1 41 SER H 2.700 . 2.700 2.580 2.468 2.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
631 1 40 GLN H 1 42 ALA H 5.000 . 5.000 5.066 5.031 5.112 0.112 31 0 "[ . 1 . 2 . 3 . 4]" 1
632 1 41 SER HA 1 41 SER QB 2.700 . 2.700 2.187 2.156 2.240 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
633 1 41 SER HA 1 42 ALA H 5.000 . 5.000 3.561 3.536 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
634 1 41 SER HA 1 43 ASN H 5.000 . 5.000 4.295 4.178 4.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
635 1 41 SER HA 1 44 LEU QB 5.000 . 5.000 2.504 2.327 2.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
636 1 41 SER HA 1 44 LEU MD2 5.000 . 5.000 4.255 4.153 4.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
637 1 41 SER HA 1 44 LEU H 5.000 . 5.000 3.427 3.329 3.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
638 1 41 SER QB 1 42 ALA H 5.000 . 5.000 3.208 2.633 3.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
639 1 41 SER H 1 42 ALA H 3.300 . 3.300 3.088 2.951 3.123 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
640 1 41 SER H 1 43 ASN H 5.000 . 5.000 4.272 4.200 4.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
641 1 41 SER H 1 44 LEU MD1 5.000 . 5.000 3.125 3.007 3.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
642 1 42 ALA H 1 42 ALA HA 2.700 . 2.700 2.831 2.813 2.845 0.145 3 0 "[ . 1 . 2 . 3 . 4]" 1
643 1 42 ALA HA 1 43 ASN H 5.000 . 5.000 3.492 3.468 3.509 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
644 1 42 ALA HA 1 44 LEU H 5.000 . 5.000 4.334 4.188 4.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
645 1 42 ALA HA 1 45 LEU QB 5.000 . 5.000 2.082 1.972 2.160 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
646 1 42 ALA HA 1 45 LEU QD 3.300 . 3.300 2.499 2.453 2.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
647 1 42 ALA HA 1 45 LEU H 5.000 . 5.000 3.337 3.230 3.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
648 1 42 ALA HA 1 46 ALA H 5.000 . 5.000 4.084 3.997 4.161 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
649 1 42 ALA H 1 42 ALA MB 2.700 . 2.700 2.203 2.189 2.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
650 1 42 ALA MB 1 43 ASN HA 5.000 . 5.000 3.861 3.838 3.873 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
651 1 42 ALA MB 1 43 ASN QB 5.000 . 5.000 3.750 3.737 3.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
652 1 42 ALA MB 1 43 ASN H 3.300 . 3.300 2.632 2.596 2.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
653 1 42 ALA MB 1 45 LEU QD 6.000 . 6.000 3.804 3.774 3.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
654 1 42 ALA H 1 43 ASN HA 5.000 . 5.000 5.164 5.127 5.212 0.212 5 0 "[ . 1 . 2 . 3 . 4]" 1
655 1 42 ALA H 1 43 ASN QB 5.000 . 5.000 4.252 4.178 4.321 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
656 1 42 ALA H 1 43 ASN H 2.700 . 2.700 2.532 2.491 2.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
657 1 42 ALA H 1 45 LEU QB 5.000 . 5.000 4.310 4.191 4.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
658 1 43 ASN HA 1 43 ASN QB 2.700 . 2.700 2.422 2.376 2.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
659 1 43 ASN H 1 43 ASN HA 2.700 . 2.700 2.828 2.825 2.831 0.131 4 0 "[ . 1 . 2 . 3 . 4]" 1
660 1 43 ASN HA 1 44 LEU H 5.000 . 5.000 3.461 3.429 3.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
661 1 43 ASN HA 1 45 LEU H 5.000 . 5.000 4.084 4.057 4.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
662 1 43 ASN HA 1 46 ALA MB 3.300 . 3.300 1.998 1.985 2.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
663 1 43 ASN HA 1 46 ALA H 3.300 . 3.300 2.949 2.928 2.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
664 1 43 ASN HA 1 47 GLU QG 5.000 . 5.000 4.107 3.997 4.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
665 1 43 ASN HA 1 47 GLU H 5.000 . 5.000 3.864 3.820 3.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
666 1 43 ASN H 1 43 ASN QB 2.700 . 2.700 2.204 2.167 2.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
667 1 43 ASN QB 1 44 LEU HA 5.000 . 5.000 3.982 3.941 4.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
668 1 43 ASN QB 1 44 LEU MD2 5.000 . 5.000 2.712 2.623 2.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
669 1 43 ASN QB 1 44 LEU HG 5.000 . 5.000 2.972 2.813 3.051 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
670 1 43 ASN QB 1 44 LEU H 3.300 . 3.300 2.539 2.503 2.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
671 1 43 ASN QB 1 46 ALA MB 5.000 . 5.000 3.767 3.734 3.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
672 1 43 ASN QB 1 46 ALA H 5.000 . 5.000 4.504 4.489 4.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
673 1 43 ASN QB 1 47 GLU QG 5.000 . 5.000 3.988 3.967 4.026 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
674 1 43 ASN H 1 43 ASN QD 5.000 . 5.000 4.523 4.491 4.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
675 1 43 ASN H 1 44 LEU QB 5.000 . 5.000 4.437 4.352 4.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
676 1 43 ASN H 1 44 LEU MD2 5.000 . 5.000 4.333 4.289 4.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
677 1 43 ASN H 1 44 LEU HG 5.000 . 5.000 3.496 3.344 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
678 1 43 ASN H 1 44 LEU H 2.700 . 2.700 2.398 2.348 2.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
679 1 43 ASN H 1 45 LEU QD 6.000 . 6.000 4.621 4.583 4.644 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
680 1 44 LEU HA 1 44 LEU MD2 2.700 . 2.700 2.001 1.968 2.024 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
681 1 44 LEU HA 1 45 LEU H 3.300 . 3.300 3.428 3.413 3.441 0.141 18 0 "[ . 1 . 2 . 3 . 4]" 1
682 1 44 LEU HA 1 46 ALA H 5.000 . 5.000 4.179 4.130 4.227 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
683 1 44 LEU HA 1 47 GLU QB 3.300 . 3.300 2.257 2.201 2.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
684 1 44 LEU HA 1 47 GLU QG 5.000 . 5.000 3.008 2.955 3.100 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
685 1 44 LEU HA 1 47 GLU H 5.000 . 5.000 3.198 3.145 3.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
686 1 44 LEU HA 1 48 ALA H 5.000 . 5.000 3.901 3.851 3.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
687 1 44 LEU QB 1 44 LEU MD1 2.700 . 2.700 2.142 2.132 2.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
688 1 44 LEU H 1 44 LEU QB 3.300 . 3.300 2.492 2.464 2.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
689 1 44 LEU QB 1 45 LEU H 5.000 . 5.000 2.566 2.546 2.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
690 1 44 LEU QB 1 46 ALA H 5.000 . 5.000 4.570 4.536 4.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
691 1 44 LEU MD1 1 44 LEU MD2 2.700 . 2.700 1.936 1.907 1.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
692 1 44 LEU H 1 44 LEU MD1 5.000 . 5.000 3.402 3.292 3.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
693 1 44 LEU MD2 1 45 LEU H 5.000 . 5.000 4.220 4.198 4.252 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
694 1 44 LEU MD2 1 46 ALA H 6.000 . 6.000 5.056 5.039 5.083 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
695 1 44 LEU MD2 1 47 GLU QB 5.000 . 5.000 3.402 3.345 3.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
696 1 44 LEU MD2 1 47 GLU QG 5.000 . 5.000 3.121 3.029 3.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
697 1 44 LEU MD2 1 47 GLU H 5.000 . 5.000 4.369 4.338 4.416 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
698 1 44 LEU H 1 44 LEU HG 3.300 . 3.300 1.774 1.689 1.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
699 1 44 LEU H 1 45 LEU H 2.700 . 2.700 2.328 2.261 2.368 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
700 1 44 LEU H 1 46 ALA MB 5.000 . 5.000 4.272 4.241 4.297 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
701 1 44 LEU H 1 46 ALA H 5.000 . 5.000 3.639 3.580 3.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
702 1 44 LEU H 1 47 GLU QB 5.000 . 5.000 4.594 4.535 4.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
703 1 44 LEU H 1 47 GLU QG 5.000 . 5.000 4.500 4.458 4.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
704 1 44 LEU H 1 47 GLU H 5.000 . 5.000 4.362 4.320 4.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
705 1 45 LEU HA 1 45 LEU QD 2.700 . 2.700 1.819 1.784 1.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
706 1 45 LEU HA 1 45 LEU MD2 2.700 . 2.700 2.364 2.295 2.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
707 1 45 LEU HA 1 46 ALA H 5.000 . 5.000 3.481 3.476 3.487 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
708 1 45 LEU HA 1 47 GLU H 5.000 . 5.000 4.551 4.509 4.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
709 1 45 LEU HA 1 48 ALA MB 3.300 . 3.300 2.276 2.196 2.318 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
710 1 45 LEU HA 1 48 ALA H 5.000 . 5.000 3.370 3.282 3.434 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
711 1 45 LEU QB 1 45 LEU QD 2.700 . 2.700 1.938 1.926 1.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
712 1 45 LEU QB 1 45 LEU MD2 2.700 . 2.700 2.047 2.024 2.071 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
713 1 45 LEU QB 1 45 LEU HG 2.700 . 2.700 2.149 2.143 2.160 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
714 1 45 LEU H 1 45 LEU QB 3.300 . 3.300 1.992 1.964 2.098 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
715 1 45 LEU QB 1 46 ALA H 5.000 . 5.000 2.439 2.380 2.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
716 1 45 LEU QB 1 48 ALA MB 5.000 . 5.000 3.881 3.821 3.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
717 1 45 LEU H 1 45 LEU QD 3.300 . 3.300 2.538 2.487 2.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
718 1 45 LEU QD 1 46 ALA HA 6.000 . 6.000 4.537 4.501 4.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
719 1 45 LEU QD 1 46 ALA H 5.000 . 5.000 3.708 3.691 3.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
720 1 45 LEU QD 1 49 LYS QE 3.300 . 3.300 2.054 1.929 2.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
721 1 45 LEU MD1 1 49 LYS QE 5.000 . 5.000 2.058 1.933 2.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
722 1 45 LEU H 1 45 LEU MD2 3.300 . 3.300 2.570 2.518 2.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
723 1 45 LEU H 1 45 LEU HG 5.000 . 5.000 4.277 4.242 4.317 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
724 1 45 LEU H 1 46 ALA H 2.700 . 2.700 2.424 2.393 2.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
725 1 46 ALA H 1 46 ALA HA 2.700 . 2.700 2.798 2.788 2.802 0.102 26 0 "[ . 1 . 2 . 3 . 4]" 1
726 1 46 ALA HA 1 47 GLU H 5.000 . 5.000 3.492 3.482 3.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
727 1 46 ALA HA 1 48 ALA H 5.000 . 5.000 4.094 4.047 4.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
728 1 46 ALA HA 1 49 LYS QB 5.000 . 5.000 2.804 2.642 3.025 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
729 1 46 ALA HA 1 49 LYS QG 5.000 . 5.000 3.112 2.244 4.349 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
730 1 46 ALA HA 1 49 LYS H 5.000 . 5.000 3.320 3.237 3.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
731 1 46 ALA HA 1 50 LYS H 5.000 . 5.000 4.113 3.968 4.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
732 1 46 ALA H 1 46 ALA MB 2.700 . 2.700 2.097 2.082 2.120 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
733 1 46 ALA MB 1 47 GLU QB 5.000 . 5.000 3.879 3.855 3.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
734 1 46 ALA MB 1 47 GLU QG 5.000 . 5.000 2.938 2.831 3.025 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
735 1 46 ALA MB 1 47 GLU H 2.700 . 2.700 2.274 2.260 2.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
736 1 46 ALA H 1 47 GLU QB 5.000 . 5.000 4.261 4.197 4.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
737 1 46 ALA H 1 47 GLU QG 5.000 . 5.000 4.375 4.331 4.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
738 1 46 ALA H 1 47 GLU H 2.700 . 2.700 2.608 2.578 2.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
739 1 46 ALA H 1 48 ALA MB 5.000 . 5.000 4.285 4.237 4.317 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
740 1 46 ALA H 1 48 ALA H 5.000 . 5.000 3.646 3.611 3.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
741 1 47 GLU HA 1 47 GLU QG 3.300 . 3.300 2.866 2.716 2.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
742 1 47 GLU H 1 47 GLU HA 2.700 . 2.700 2.802 2.794 2.814 0.114 20 0 "[ . 1 . 2 . 3 . 4]" 1
743 1 47 GLU HA 1 48 ALA H 3.300 . 3.300 3.445 3.438 3.459 0.159 9 0 "[ . 1 . 2 . 3 . 4]" 1
744 1 47 GLU HA 1 49 LYS H 5.000 . 5.000 4.459 4.407 4.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
745 1 47 GLU HA 1 50 LYS QB 2.700 . 2.700 2.177 2.139 2.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
746 1 47 GLU HA 1 50 LYS QD 3.300 . 3.300 2.335 2.008 3.031 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
747 1 47 GLU HA 1 50 LYS QE 5.000 . 5.000 3.407 2.569 4.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
748 1 47 GLU HA 1 50 LYS QG 5.000 . 5.000 3.606 3.169 4.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
749 1 47 GLU HA 1 50 LYS H 5.000 . 5.000 3.333 3.287 3.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
750 1 47 GLU HA 1 51 LEU H 5.000 . 5.000 4.057 3.958 4.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
751 1 47 GLU H 1 47 GLU QB 2.700 . 2.700 2.140 2.111 2.161 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
752 1 47 GLU QB 1 48 ALA HA 5.000 . 5.000 3.881 3.852 3.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
753 1 47 GLU QB 1 48 ALA MB 5.000 . 5.000 3.731 3.688 3.769 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
754 1 47 GLU QB 1 48 ALA H 3.300 . 3.300 2.570 2.508 2.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
755 1 47 GLU QB 1 49 LYS H 5.000 . 5.000 4.676 4.646 4.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
756 1 47 GLU QB 1 50 LYS H 5.000 . 5.000 4.646 4.616 4.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
757 1 47 GLU H 1 47 GLU QG 2.700 . 2.700 2.344 2.302 2.384 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
758 1 47 GLU QG 1 48 ALA H 5.000 . 5.000 4.120 4.096 4.136 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
759 1 47 GLU H 1 48 ALA HA 5.000 . 5.000 5.077 5.060 5.098 0.098 27 0 "[ . 1 . 2 . 3 . 4]" 1
760 1 47 GLU H 1 48 ALA MB 5.000 . 5.000 4.072 4.029 4.094 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
761 1 47 GLU H 1 48 ALA H 2.700 . 2.700 2.422 2.409 2.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
762 1 47 GLU H 1 50 LYS QB 5.000 . 5.000 4.478 4.281 4.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
763 1 48 ALA HA 1 49 LYS H 5.000 . 5.000 3.541 3.501 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
764 1 48 ALA HA 1 50 LYS H 5.000 . 5.000 4.148 4.088 4.238 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
765 1 48 ALA HA 1 51 LEU QB 3.300 . 3.300 2.465 2.300 2.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
766 1 48 ALA HA 1 51 LEU QD 5.000 . 5.000 3.788 3.752 3.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
767 1 48 ALA HA 1 51 LEU HG 5.000 . 5.000 4.502 4.019 4.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
768 1 48 ALA HA 1 51 LEU H 5.000 . 5.000 3.127 3.094 3.222 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
769 1 48 ALA HA 1 52 ASN H 5.000 . 5.000 3.744 3.664 3.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
770 1 48 ALA H 1 48 ALA MB 2.700 . 2.700 2.164 2.092 2.214 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
771 1 48 ALA MB 1 49 LYS HA 5.000 . 5.000 3.716 3.622 3.800 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
772 1 48 ALA MB 1 49 LYS QG 5.000 . 5.000 3.444 3.144 3.846 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
773 1 48 ALA MB 1 49 LYS H 5.000 . 5.000 2.371 2.273 2.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
774 1 48 ALA MB 1 50 LYS H 5.000 . 5.000 4.187 4.120 4.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
775 1 48 ALA MB 1 51 LEU H 5.000 . 5.000 4.318 4.263 4.345 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
776 1 48 ALA MB 1 52 ASN H 5.000 . 5.000 4.274 4.225 4.303 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
777 1 48 ALA H 1 49 LYS H 2.700 . 2.700 2.539 2.483 2.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
778 1 48 ALA H 1 50 LYS H 5.000 . 5.000 3.678 3.580 3.744 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
779 1 49 LYS HA 1 49 LYS QB 2.700 . 2.700 2.393 2.350 2.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
780 1 49 LYS HA 1 49 LYS QD 5.000 . 5.000 2.741 1.972 3.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
781 1 49 LYS HA 1 49 LYS QE 5.000 . 5.000 4.146 3.959 4.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
782 1 49 LYS HA 1 50 LYS H 5.000 . 5.000 3.481 3.464 3.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
783 1 49 LYS HA 1 51 LEU H 5.000 . 5.000 4.376 4.215 4.488 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
784 1 49 LYS HA 1 52 ASN QB 5.000 . 5.000 2.398 2.192 2.795 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
785 1 49 LYS HA 1 52 ASN QD 5.000 . 5.000 3.806 2.602 4.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
786 1 49 LYS HA 1 52 ASN H 5.000 . 5.000 3.423 3.202 3.549 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
787 1 49 LYS HA 1 53 ASP H 5.000 . 5.000 3.617 3.483 3.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
788 1 49 LYS H 1 49 LYS QB 2.700 . 2.700 2.419 2.157 2.555 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
789 1 49 LYS QB 1 50 LYS H 2.700 . 2.700 2.522 2.445 2.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
790 1 49 LYS H 1 49 LYS QD 2.700 . 2.700 2.541 2.385 2.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
791 1 49 LYS H 1 49 LYS QE 5.000 . 5.000 3.864 3.592 4.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
792 1 49 LYS H 1 49 LYS QG 5.000 . 5.000 2.522 2.272 3.361 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
793 1 49 LYS H 1 50 LYS H 2.700 . 2.700 2.453 2.410 2.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
794 1 49 LYS H 1 52 ASN QB 5.000 . 5.000 4.485 4.420 4.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
795 1 50 LYS HA 1 50 LYS QD 5.000 . 5.000 4.007 3.653 4.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
796 1 50 LYS HA 1 50 LYS QE 5.000 . 5.000 4.323 3.698 4.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
797 1 50 LYS HA 1 51 LEU H 3.300 . 3.300 3.523 3.477 3.540 0.240 13 0 "[ . 1 . 2 . 3 . 4]" 1
798 1 50 LYS HA 1 52 ASN H 5.000 . 5.000 4.573 4.490 4.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
799 1 50 LYS HA 1 53 ASP QB 5.000 . 5.000 2.503 2.371 2.721 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
800 1 50 LYS HA 1 53 ASP H 5.000 . 5.000 3.559 3.458 3.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
801 1 50 LYS QB 1 50 LYS QD 2.700 . 2.700 2.165 1.981 2.249 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
802 1 50 LYS H 1 50 LYS QB 2.700 . 2.700 2.259 2.121 2.320 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
803 1 50 LYS QB 1 51 LEU H 3.300 . 3.300 2.595 2.458 2.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
804 1 50 LYS H 1 50 LYS QD 5.000 . 5.000 3.866 3.065 4.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
805 1 50 LYS H 1 50 LYS QE 5.000 . 5.000 4.467 3.926 4.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
806 1 50 LYS H 1 50 LYS QG 5.000 . 5.000 2.899 2.384 3.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
807 1 50 LYS H 1 51 LEU H 3.300 . 3.300 2.594 2.471 2.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
808 1 50 LYS H 1 52 ASN H 5.000 . 5.000 4.005 3.954 4.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
809 1 50 LYS H 1 53 ASP QB 5.000 . 5.000 4.547 4.485 4.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
810 1 51 LEU HA 1 52 ASN H 5.000 . 5.000 3.524 3.510 3.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
811 1 51 LEU HA 1 54 ALA MB 5.000 . 5.000 2.380 2.230 2.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
812 1 51 LEU HA 1 54 ALA H 5.000 . 5.000 3.367 3.172 3.642 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
813 1 51 LEU QB 1 52 ASN H 3.300 . 3.300 2.709 2.351 2.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
814 1 51 LEU H 1 51 LEU QD 5.000 . 5.000 2.781 2.514 3.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
815 1 51 LEU QD 1 54 ALA MB 5.000 . 5.000 2.604 2.396 2.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
816 1 51 LEU QD 1 55 GLN QE 5.000 . 5.000 3.057 1.842 3.340 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
817 1 51 LEU QD 1 55 GLN QG 5.000 . 5.000 2.921 2.136 3.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
818 1 51 LEU H 1 51 LEU HG 5.000 . 5.000 4.238 3.497 4.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
819 1 51 LEU H 1 52 ASN H 2.700 . 2.700 2.517 2.483 2.566 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
820 1 52 ASN HA 1 53 ASP H 5.000 . 5.000 3.536 3.513 3.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
821 1 52 ASN HA 1 54 ALA H 5.000 . 5.000 4.297 4.157 4.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
822 1 52 ASN HA 1 55 GLN HB2 3.300 . 3.300 2.428 2.191 2.642 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
823 1 52 ASN HA 1 55 GLN QE 5.000 . 5.000 3.216 2.298 3.649 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
824 1 52 ASN HA 1 55 GLN H 5.000 . 5.000 3.166 3.045 3.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
825 1 52 ASN H 1 52 ASN QB 3.300 . 3.300 2.136 1.962 2.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
826 1 52 ASN QB 1 53 ASP H 5.000 . 5.000 2.586 2.366 3.103 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
827 1 52 ASN QB 1 55 GLN H 5.000 . 5.000 4.660 4.634 4.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
828 1 52 ASN H 1 52 ASN QD 5.000 . 5.000 4.371 3.908 4.613 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
829 1 52 ASN QD 1 53 ASP HA 5.000 . 5.000 3.159 2.969 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
830 1 52 ASN QD 1 53 ASP H 5.000 . 5.000 3.261 2.802 3.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
831 1 52 ASN H 1 53 ASP QB 5.000 . 5.000 4.419 4.308 4.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
832 1 52 ASN H 1 53 ASP H 3.300 . 3.300 2.640 2.565 2.736 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
833 1 53 ASP H 1 53 ASP HA 2.700 . 2.700 2.798 2.789 2.804 0.104 22 0 "[ . 1 . 2 . 3 . 4]" 1
834 1 53 ASP HA 1 54 ALA H 3.300 . 3.300 3.469 3.462 3.475 0.175 24 0 "[ . 1 . 2 . 3 . 4]" 1
835 1 53 ASP HA 1 56 ALA MB 3.300 . 3.300 2.169 2.094 2.250 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
836 1 53 ASP HA 1 56 ALA H 5.000 . 5.000 3.308 3.171 3.412 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
837 1 53 ASP H 1 53 ASP QB 2.700 . 2.700 2.285 2.242 2.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
838 1 53 ASP QB 1 54 ALA HA 5.000 . 5.000 4.043 3.916 4.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
839 1 53 ASP QB 1 54 ALA H 3.300 . 3.300 2.542 2.450 2.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
840 1 53 ASP H 1 54 ALA MB 5.000 . 5.000 4.215 4.203 4.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
841 1 53 ASP H 1 54 ALA H 2.700 . 2.700 2.573 2.542 2.622 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
842 1 53 ASP H 1 56 ALA MB 5.000 . 5.000 4.177 4.088 4.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
843 1 53 ASP H 1 56 ALA H 5.000 . 5.000 4.616 4.504 4.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
844 1 54 ALA H 1 54 ALA HA 2.700 . 2.700 2.829 2.818 2.838 0.138 4 0 "[ . 1 . 2 . 3 . 4]" 1
845 1 54 ALA HA 1 55 GLN H 5.000 . 5.000 3.518 3.487 3.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
846 1 54 ALA HA 1 56 ALA H 5.000 . 5.000 3.784 3.725 3.873 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
847 1 54 ALA H 1 54 ALA MB 2.700 . 2.700 2.201 2.135 2.232 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
848 1 54 ALA MB 1 55 GLN HA 5.000 . 5.000 3.936 3.845 3.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
849 1 54 ALA MB 1 55 GLN QG 5.000 . 5.000 3.267 2.997 3.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
850 1 54 ALA MB 1 55 GLN H 5.000 . 5.000 2.669 2.621 2.750 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
851 1 54 ALA MB 1 56 ALA H 5.000 . 5.000 4.201 4.176 4.232 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
852 1 54 ALA H 1 55 GLN HB3 6.000 . 6.000 5.983 5.913 6.033 0.033 27 0 "[ . 1 . 2 . 3 . 4]" 1
853 1 54 ALA H 1 55 GLN H 2.700 . 2.700 2.500 2.449 2.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
854 1 54 ALA H 1 56 ALA H 5.000 . 5.000 3.716 3.663 3.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
855 1 55 GLN HA 1 55 GLN QE 5.000 . 5.000 4.527 4.314 4.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
856 1 55 GLN HA 1 56 ALA H 5.000 . 5.000 3.265 3.207 3.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
857 1 55 GLN HB2 1 56 ALA H 5.000 . 5.000 3.638 3.459 3.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
858 1 55 GLN H 1 55 GLN QE 5.000 . 5.000 4.027 3.424 4.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
859 1 55 GLN H 1 55 GLN QG 5.000 . 5.000 2.997 2.698 3.182 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
860 1 55 GLN QG 1 56 ALA H 5.000 . 5.000 4.488 4.377 4.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
861 1 55 GLN H 1 56 ALA HA 5.000 . 5.000 4.847 4.756 4.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
862 1 55 GLN H 1 56 ALA MB 5.000 . 5.000 3.916 3.864 3.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
863 1 55 GLN H 1 56 ALA H 2.700 . 2.700 2.381 2.335 2.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
864 1 56 ALA HA 1 57 PRO QB 5.000 . 5.000 4.718 4.686 4.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
865 1 56 ALA HA 1 57 PRO QD 2.700 . 2.700 1.953 1.903 1.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
866 1 56 ALA HA 1 57 PRO QG 5.000 . 5.000 3.774 3.576 3.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
867 1 56 ALA H 1 56 ALA MB 2.700 . 2.700 2.265 2.224 2.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
868 1 56 ALA MB 1 57 PRO QD 5.000 . 5.000 2.135 1.994 2.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
869 1 56 ALA MB 1 57 PRO QG 5.000 . 5.000 3.747 3.632 3.795 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
870 1 56 ALA H 1 57 PRO QD 5.000 . 5.000 4.352 4.335 4.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
871 1 57 PRO HA 1 58 LYS H 2.700 . 2.700 2.425 2.176 3.014 0.314 2 0 "[ . 1 . 2 . 3 . 4]" 1
872 1 57 PRO QB 1 58 LYS H 5.000 . 5.000 3.065 2.697 3.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
873 1 57 PRO QG 1 58 LYS H 5.000 . 5.000 4.558 4.321 4.673 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
874 1 58 LYS HA 1 58 LYS QD 5.000 . 5.000 3.511 2.030 4.196 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
875 1 58 LYS H 1 58 LYS QD 5.000 . 5.000 4.129 2.495 4.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 18
_Distance_constraint_stats_list.Viol_count 296
_Distance_constraint_stats_list.Viol_total 6888.406
_Distance_constraint_stats_list.Viol_max 3.180
_Distance_constraint_stats_list.Viol_rms 0.7194
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2392
_Distance_constraint_stats_list.Viol_average_violations_only 0.5818
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 23 ASN 136.327 3.180 24 23 "[ ***.* 1 *.*** ** *+**- ** * ** ***4]"
1 24 GLY 0.246 0.072 36 0 "[ . 1 . 2 . 3 . 4]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 26 GLN 136.327 3.180 24 23 "[ ***.* 1 *.*** ** *+**- ** * ** ***4]"
1 28 LYS 11.284 0.174 38 0 "[ . 1 . 2 . 3 . 4]"
1 29 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 30 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 31 ILE 15.321 0.594 13 3 "[ .- 1 + . 2 . 3 .* 4]"
1 32 ASP 11.038 0.174 38 0 "[ . 1 . 2 . 3 . 4]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 35 ARG 15.321 0.594 13 3 "[ .- 1 + . 2 . 3 .* 4]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 43 ASN 9.278 0.206 19 0 "[ . 1 . 2 . 3 . 4]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 47 GLU 9.278 0.206 19 0 "[ . 1 . 2 . 3 . 4]"
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 23 ASN OD1 1 26 GLN H 2.000 . 2.400 3.762 1.683 5.443 3.043 24 23 "[ ***.* 1 *.*** ** *+**- ** * ** ***4]" 2
2 1 23 ASN OD1 1 26 GLN N 2.800 2.600 3.200 4.701 2.635 6.380 3.180 24 23 "[ ***.* 1 *.*** ** *+**- ** * ** ***4]" 2
3 1 24 GLY O 1 28 LYS H 2.000 . 2.400 2.216 2.062 2.424 0.024 36 0 "[ . 1 . 2 . 3 . 4]" 2
4 1 24 GLY O 1 28 LYS N 2.800 2.600 3.200 3.092 2.951 3.272 0.072 36 0 "[ . 1 . 2 . 3 . 4]" 2
5 1 25 VAL O 1 29 ALA H 2.000 . 2.400 2.140 1.971 2.297 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
6 1 25 VAL O 1 29 ALA N 2.800 2.600 3.200 2.921 2.762 3.087 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
7 1 26 GLN O 1 30 PHE H 2.000 . 2.400 2.115 2.021 2.265 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
8 1 26 GLN O 1 30 PHE N 2.800 2.600 3.200 2.980 2.888 3.121 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
9 1 28 LYS O 1 32 ASP H 2.000 . 2.400 1.662 1.626 1.731 0.174 38 0 "[ . 1 . 2 . 3 . 4]" 2
10 1 28 LYS O 1 32 ASP N 2.800 2.600 3.200 2.462 2.432 2.532 0.168 15 0 "[ . 1 . 2 . 3 . 4]" 2
11 1 30 PHE O 1 34 LEU H 2.000 . 2.400 2.159 1.957 2.361 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
12 1 30 PHE O 1 34 LEU N 2.800 2.600 3.200 2.955 2.806 3.155 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
13 1 31 ILE O 1 35 ARG H 2.000 . 2.400 2.530 2.176 2.919 0.519 13 1 "[ . 1 + . 2 . 3 . 4]" 2
14 1 31 ILE O 1 35 ARG N 2.800 2.600 3.200 3.432 3.099 3.794 0.594 13 3 "[ .- 1 + . 2 . 3 .* 4]" 2
15 1 42 ALA O 1 46 ALA H 2.000 . 2.400 1.917 1.836 1.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
16 1 42 ALA O 1 46 ALA N 2.800 2.600 3.200 2.720 2.651 2.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
17 1 43 ASN O 1 47 GLU H 2.000 . 2.400 1.621 1.594 1.670 0.206 19 0 "[ . 1 . 2 . 3 . 4]" 2
18 1 43 ASN O 1 47 GLU N 2.800 2.600 3.200 2.547 2.526 2.585 0.074 19 0 "[ . 1 . 2 . 3 . 4]" 2
stop_
save_
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