NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
483579 |
1ysf   |
6478 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ysf
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 391
_Distance_constraint_stats_list.Viol_count 792
_Distance_constraint_stats_list.Viol_total 2265.455
_Distance_constraint_stats_list.Viol_max 0.929
_Distance_constraint_stats_list.Viol_rms 0.0573
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0120
_Distance_constraint_stats_list.Viol_average_violations_only 0.1300
_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 11 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 12 THR 10.410 0.629 22 4 "[ * 1 *. 2-+]"
1 13 GLY 2.583 0.354 21 0 "[ . 1 . 2 ]"
1 14 ILE 3.117 0.139 5 0 "[ . 1 . 2 ]"
1 15 VAL 6.696 0.247 1 0 "[ . 1 . 2 ]"
1 16 ARG 1.363 0.071 18 0 "[ . 1 . 2 ]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 18 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 21 LEU 14.358 0.508 8 1 "[ . + 1 . 2 ]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 23 ARG 14.358 0.508 8 1 "[ . + 1 . 2 ]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 26 ILE 8.529 0.411 11 0 "[ . 1 . 2 ]"
1 27 PRO 1.502 0.082 10 0 "[ . 1 . 2 ]"
1 28 ILE 2.952 0.114 17 0 "[ . 1 . 2 ]"
1 29 GLU 1.810 0.082 10 0 "[ . 1 . 2 ]"
1 30 LEU 4.190 0.152 17 0 "[ . 1 . 2 ]"
1 31 ARG 0.149 0.023 8 0 "[ . 1 . 2 ]"
1 32 ARG 4.951 0.152 17 0 "[ . 1 . 2 ]"
1 33 THR 0.720 0.028 3 0 "[ . 1 . 2 ]"
1 34 LEU 0.426 0.028 3 0 "[ . 1 . 2 ]"
1 35 GLY 2.467 0.123 11 0 "[ . 1 . 2 ]"
1 36 ILE 4.348 0.123 11 0 "[ . 1 . 2 ]"
1 37 ALA 1.881 0.097 22 0 "[ . 1 . 2 ]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 39 LYS 8.368 0.929 20 2 "[ . 1 - + ]"
1 40 ASP 6.146 0.929 20 2 "[ . 1 - + ]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 LEU 0.014 0.004 3 0 "[ . 1 . 2 ]"
1 43 GLU 5.391 0.128 22 0 "[ . 1 . 2 ]"
1 44 ILE 1.194 0.066 3 0 "[ . 1 . 2 ]"
1 45 TYR 3.651 0.148 11 0 "[ . 1 . 2 ]"
1 46 VAL 1.187 0.114 3 0 "[ . 1 . 2 ]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 ASP 2.177 0.117 15 0 "[ . 1 . 2 ]"
1 49 GLU 1.554 0.093 3 0 "[ . 1 . 2 ]"
1 50 LYS 1.554 0.093 3 0 "[ . 1 . 2 ]"
1 51 ILE 10.511 0.673 2 11 "[ + *****1 ** .* * 2 -]"
1 52 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 53 LEU 12.898 0.502 22 2 "[ . 1 . 2-+]"
1 54 LYS 17.076 0.502 22 2 "[ . 1 . 2-+]"
1 55 LYS 2.925 0.146 1 0 "[ . 1 . 2 ]"
1 56 TYR 7.015 0.146 1 0 "[ . 1 . 2 ]"
1 57 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 PRO 0.992 0.064 18 0 "[ . 1 . 2 ]"
1 59 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 11 SER 0.082 0.082 9 0 "[ . 1 . 2 ]"
2 12 THR 0.082 0.082 9 0 "[ . 1 . 2 ]"
2 15 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 17 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 18 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 19 ASP 1.715 0.098 12 0 "[ . 1 . 2 ]"
2 21 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 22 GLY 8.375 0.411 11 0 "[ . 1 . 2 ]"
2 23 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 24 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 25 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 26 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 30 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 41 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 42 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 43 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 49 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 50 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 51 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 53 LEU 10.511 0.673 2 11 "[ + *****1 ** .* * 2 -]"
2 56 TYR 3.005 0.247 1 0 "[ . 1 . 2 ]"
2 57 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 58 PRO 0.245 0.084 15 0 "[ . 1 . 2 ]"
2 59 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 SER H 1 12 THR H 3.200 3.200 8.200 4.550 4.412 4.696 . 0 0 "[ . 1 . 2 ]" 1
2 1 11 SER HA 1 12 THR H 0.000 . 2.700 2.355 2.202 2.442 . 0 0 "[ . 1 . 2 ]" 1
3 1 12 THR H 1 12 THR HA 2.700 2.700 7.700 2.868 2.838 2.912 . 0 0 "[ . 1 . 2 ]" 1
4 1 12 THR H 1 12 THR HB 0.000 . 3.200 3.580 3.520 3.829 0.629 22 4 "[ * 1 *. 2-+]" 1
5 1 12 THR H 1 12 THR MG 0.000 . 4.800 2.225 1.847 3.613 . 0 0 "[ . 1 . 2 ]" 1
6 1 12 THR H 1 13 GLY H 0.000 . 2.700 2.704 2.535 2.772 0.072 5 0 "[ . 1 . 2 ]" 1
7 1 12 THR HA 1 12 THR HB 0.000 . 2.700 2.500 2.446 2.684 . 0 0 "[ . 1 . 2 ]" 1
8 1 12 THR HA 1 13 GLY H 2.700 2.700 7.700 3.390 2.623 3.574 0.077 5 0 "[ . 1 . 2 ]" 1
9 1 12 THR HB 1 13 GLY H 2.700 2.700 4.000 3.858 3.645 4.354 0.354 21 0 "[ . 1 . 2 ]" 1
10 1 13 GLY H 1 14 ILE H 2.700 2.700 4.000 2.691 2.561 2.756 0.139 5 0 "[ . 1 . 2 ]" 1
11 1 13 GLY QA 1 14 ILE H 0.000 . 3.500 2.693 2.668 2.704 . 0 0 "[ . 1 . 2 ]" 1
12 1 14 ILE H 1 14 ILE HA 2.700 2.700 7.700 3.008 2.985 3.013 . 0 0 "[ . 1 . 2 ]" 1
13 1 14 ILE H 1 14 ILE HB 0.000 . 2.700 2.542 2.459 2.574 . 0 0 "[ . 1 . 2 ]" 1
14 1 14 ILE H 1 15 VAL H 3.200 3.200 8.200 4.469 4.435 4.535 . 0 0 "[ . 1 . 2 ]" 1
15 1 14 ILE HA 1 14 ILE MG 0.000 . 3.500 2.290 2.201 2.377 . 0 0 "[ . 1 . 2 ]" 1
16 1 14 ILE HA 1 15 VAL H 0.000 . 2.700 2.231 2.222 2.239 . 0 0 "[ . 1 . 2 ]" 1
17 1 14 ILE HA 1 15 VAL MG2 0.000 . 5.600 3.369 3.200 3.470 . 0 0 "[ . 1 . 2 ]" 1
18 1 14 ILE HB 1 15 VAL H 0.000 . 4.000 4.117 4.090 4.134 0.134 7 0 "[ . 1 . 2 ]" 1
19 1 14 ILE MG 1 15 VAL H 0.000 . 4.000 2.506 2.342 2.740 . 0 0 "[ . 1 . 2 ]" 1
20 1 15 VAL H 1 15 VAL HA 2.700 2.700 7.700 2.992 2.977 3.000 . 0 0 "[ . 1 . 2 ]" 1
21 1 15 VAL H 1 15 VAL HB 0.000 . 2.700 2.429 2.395 2.467 . 0 0 "[ . 1 . 2 ]" 1
22 1 15 VAL H 1 15 VAL MG2 0.000 . 3.500 2.556 2.390 2.634 . 0 0 "[ . 1 . 2 ]" 1
23 1 15 VAL HA 1 15 VAL MG1 0.000 . 3.500 2.432 2.394 2.459 . 0 0 "[ . 1 . 2 ]" 1
24 1 15 VAL HA 1 15 VAL MG2 0.000 . 3.500 2.385 2.369 2.399 . 0 0 "[ . 1 . 2 ]" 1
25 1 15 VAL HA 1 16 ARG H 0.000 . 2.700 2.254 2.244 2.261 . 0 0 "[ . 1 . 2 ]" 1
26 1 15 VAL HB 1 16 ARG H 0.000 . 4.000 4.062 4.042 4.071 0.071 18 0 "[ . 1 . 2 ]" 1
27 1 15 VAL MG1 1 16 ARG H 0.000 . 4.000 2.101 2.055 2.176 . 0 0 "[ . 1 . 2 ]" 1
28 1 15 VAL MG1 2 41 ALA MB 0.000 . 4.300 2.210 1.807 2.354 . 0 0 "[ . 1 . 2 ]" 1
29 1 15 VAL MG1 2 43 GLU HA 0.000 . 4.800 2.903 2.821 2.983 . 0 0 "[ . 1 . 2 ]" 1
30 1 15 VAL MG1 2 56 TYR HB2 0.000 . 4.800 2.450 2.320 2.598 . 0 0 "[ . 1 . 2 ]" 1
31 1 15 VAL MG1 2 56 TYR HB3 0.000 . 5.800 3.010 2.838 3.252 . 0 0 "[ . 1 . 2 ]" 1
32 1 15 VAL MG1 2 56 TYR HD1 0.000 . 4.000 4.125 3.989 4.247 0.247 1 0 "[ . 1 . 2 ]" 1
33 1 15 VAL MG1 2 56 TYR HE2 0.000 . 4.800 2.788 2.419 3.290 . 0 0 "[ . 1 . 2 ]" 1
34 1 15 VAL MG2 1 16 ARG H 0.000 . 4.800 3.932 3.907 3.950 . 0 0 "[ . 1 . 2 ]" 1
35 1 15 VAL MG2 2 43 GLU HA 0.000 . 4.000 1.821 1.802 1.843 . 0 0 "[ . 1 . 2 ]" 1
36 1 15 VAL MG2 2 43 GLU HB3 0.000 . 4.000 3.429 3.398 3.443 . 0 0 "[ . 1 . 2 ]" 1
37 1 15 VAL MG2 2 43 GLU QG 0.000 . 4.000 2.006 1.953 2.084 . 0 0 "[ . 1 . 2 ]" 1
38 1 15 VAL MG2 2 56 TYR HB2 0.000 . 5.800 2.935 2.669 3.124 . 0 0 "[ . 1 . 2 ]" 1
39 1 15 VAL MG2 2 56 TYR HB3 0.000 . 5.800 3.966 3.732 4.186 . 0 0 "[ . 1 . 2 ]" 1
40 1 15 VAL MG2 2 56 TYR HD1 0.000 . 4.000 3.171 2.798 3.416 . 0 0 "[ . 1 . 2 ]" 1
41 1 15 VAL MG2 2 56 TYR HE2 0.000 . 4.800 3.049 2.844 3.233 . 0 0 "[ . 1 . 2 ]" 1
42 1 16 ARG H 1 16 ARG HA 2.700 2.700 7.700 2.998 2.996 3.002 . 0 0 "[ . 1 . 2 ]" 1
43 1 16 ARG H 1 16 ARG HB2 0.000 . 4.000 3.027 2.951 3.068 . 0 0 "[ . 1 . 2 ]" 1
44 1 16 ARG H 1 16 ARG HB3 0.000 . 3.200 2.643 2.575 2.740 . 0 0 "[ . 1 . 2 ]" 1
45 1 16 ARG H 1 16 ARG QG 0.000 . 4.800 4.074 4.043 4.102 . 0 0 "[ . 1 . 2 ]" 1
46 1 16 ARG H 1 17 LYS H 3.200 3.200 8.200 4.488 4.476 4.514 . 0 0 "[ . 1 . 2 ]" 1
47 1 16 ARG H 2 42 LEU MD1 0.000 . 4.800 4.098 4.087 4.110 . 0 0 "[ . 1 . 2 ]" 1
48 1 16 ARG HA 1 17 LYS H 0.000 . 2.700 2.409 2.376 2.478 . 0 0 "[ . 1 . 2 ]" 1
49 1 17 LYS H 1 17 LYS HA 2.700 2.700 7.700 2.941 2.936 2.945 . 0 0 "[ . 1 . 2 ]" 1
50 1 17 LYS H 1 18 VAL H 3.200 3.200 8.200 4.641 4.630 4.646 . 0 0 "[ . 1 . 2 ]" 1
51 1 17 LYS HA 1 18 VAL H 0.000 . 2.700 2.283 2.255 2.301 . 0 0 "[ . 1 . 2 ]" 1
52 1 17 LYS QB 1 18 VAL H 0.000 . 4.000 3.154 2.909 3.635 . 0 0 "[ . 1 . 2 ]" 1
53 1 18 VAL H 1 18 VAL HA 2.700 2.700 7.700 2.941 2.938 2.945 . 0 0 "[ . 1 . 2 ]" 1
54 1 18 VAL H 1 18 VAL HB 0.000 . 3.200 2.586 2.528 2.614 . 0 0 "[ . 1 . 2 ]" 1
55 1 18 VAL H 1 18 VAL MG2 0.000 . 4.000 2.035 2.018 2.096 . 0 0 "[ . 1 . 2 ]" 1
56 1 18 VAL H 1 19 ASP H 3.200 3.200 8.200 4.573 4.556 4.588 . 0 0 "[ . 1 . 2 ]" 1
57 1 18 VAL H 2 41 ALA HA 0.000 . 4.000 3.772 3.650 3.860 . 0 0 "[ . 1 . 2 ]" 1
58 1 18 VAL H 2 42 LEU MD1 0.000 . 4.800 3.609 3.524 3.697 . 0 0 "[ . 1 . 2 ]" 1
59 1 18 VAL HA 1 19 ASP H 0.000 . 2.700 2.232 2.224 2.240 . 0 0 "[ . 1 . 2 ]" 1
60 1 18 VAL MG1 1 19 ASP H 0.000 . 4.800 2.719 2.567 2.873 . 0 0 "[ . 1 . 2 ]" 1
61 1 18 VAL MG1 1 22 GLY H 0.000 . 4.800 3.029 2.947 3.176 . 0 0 "[ . 1 . 2 ]" 1
62 1 18 VAL MG2 2 42 LEU MD1 0.000 . 3.800 1.734 1.718 1.764 . 0 0 "[ . 1 . 2 ]" 1
63 1 18 VAL MG2 2 42 LEU HG 0.000 . 4.000 1.886 1.775 1.986 . 0 0 "[ . 1 . 2 ]" 1
64 1 19 ASP H 1 19 ASP HA 2.700 2.700 7.700 2.940 2.937 2.945 . 0 0 "[ . 1 . 2 ]" 1
65 1 19 ASP H 1 19 ASP HB2 0.000 . 4.000 3.542 3.535 3.547 . 0 0 "[ . 1 . 2 ]" 1
66 1 19 ASP H 1 19 ASP HB3 0.000 . 3.200 2.252 2.238 2.262 . 0 0 "[ . 1 . 2 ]" 1
67 1 19 ASP H 1 20 GLU H 3.200 3.200 8.200 4.532 4.526 4.549 . 0 0 "[ . 1 . 2 ]" 1
68 1 19 ASP HA 1 20 GLU H 0.000 . 2.700 2.661 2.642 2.667 . 0 0 "[ . 1 . 2 ]" 1
69 1 19 ASP HB2 1 20 GLU H 0.000 . 2.700 2.524 2.503 2.567 . 0 0 "[ . 1 . 2 ]" 1
70 1 19 ASP HB3 1 20 GLU H 0.000 . 4.000 3.844 3.827 3.882 . 0 0 "[ . 1 . 2 ]" 1
71 1 20 GLU H 1 20 GLU HA 2.700 2.700 7.700 2.786 2.774 2.797 . 0 0 "[ . 1 . 2 ]" 1
72 1 20 GLU H 1 21 LEU H 0.000 . 3.200 2.959 2.927 3.003 . 0 0 "[ . 1 . 2 ]" 1
73 1 20 GLU HA 1 21 LEU H 3.200 3.200 8.200 3.578 3.573 3.585 . 0 0 "[ . 1 . 2 ]" 1
74 1 20 GLU QB 1 21 LEU H 0.000 . 4.800 2.514 2.476 2.543 . 0 0 "[ . 1 . 2 ]" 1
75 1 21 LEU H 1 21 LEU HA 2.700 2.700 7.700 2.917 2.894 2.925 . 0 0 "[ . 1 . 2 ]" 1
76 1 21 LEU H 1 21 LEU QB 0.000 . 3.200 2.174 2.058 2.184 . 0 0 "[ . 1 . 2 ]" 1
77 1 21 LEU H 1 22 GLY H 0.000 . 2.700 2.632 2.622 2.644 . 0 0 "[ . 1 . 2 ]" 1
78 1 21 LEU H 1 23 ARG QD 0.000 . 4.800 4.994 4.885 5.119 0.319 19 0 "[ . 1 . 2 ]" 1
79 1 21 LEU HA 1 22 GLY H 2.700 2.700 7.700 3.397 3.376 3.456 . 0 0 "[ . 1 . 2 ]" 1
80 1 21 LEU QB 1 23 ARG H 0.000 . 3.200 3.658 3.454 3.708 0.508 8 1 "[ . + 1 . 2 ]" 1
81 1 21 LEU QD 1 23 ARG H 0.000 . 5.500 4.626 4.468 4.667 . 0 0 "[ . 1 . 2 ]" 1
82 1 22 GLY H 1 22 GLY HA2 0.000 . 2.700 2.379 2.378 2.383 . 0 0 "[ . 1 . 2 ]" 1
83 1 22 GLY H 1 22 GLY HA3 2.700 2.700 7.700 2.935 2.933 2.942 . 0 0 "[ . 1 . 2 ]" 1
84 1 22 GLY H 1 23 ARG H 0.000 . 2.700 2.500 2.450 2.511 . 0 0 "[ . 1 . 2 ]" 1
85 1 22 GLY HA2 1 23 ARG H 2.700 2.700 7.700 2.787 2.775 2.790 . 0 0 "[ . 1 . 2 ]" 1
86 1 22 GLY HA3 1 23 ARG H 3.200 3.200 8.200 3.575 3.572 3.578 . 0 0 "[ . 1 . 2 ]" 1
87 1 23 ARG H 1 23 ARG HA 2.700 2.700 7.700 2.996 2.994 2.998 . 0 0 "[ . 1 . 2 ]" 1
88 1 23 ARG H 1 23 ARG HB2 0.000 . 3.200 2.376 2.358 2.405 . 0 0 "[ . 1 . 2 ]" 1
89 1 23 ARG H 1 23 ARG HB3 0.000 . 4.000 3.633 3.621 3.649 . 0 0 "[ . 1 . 2 ]" 1
90 1 23 ARG H 1 23 ARG HE 0.000 . 4.000 3.369 3.338 3.391 . 0 0 "[ . 1 . 2 ]" 1
91 1 23 ARG H 1 24 VAL H 3.200 3.200 8.200 4.548 4.540 4.553 . 0 0 "[ . 1 . 2 ]" 1
92 1 23 ARG HA 1 23 ARG HB3 0.000 . 2.700 2.525 2.515 2.530 . 0 0 "[ . 1 . 2 ]" 1
93 1 23 ARG HA 1 24 VAL H 0.000 . 2.700 2.342 2.335 2.350 . 0 0 "[ . 1 . 2 ]" 1
94 1 23 ARG HA 2 25 VAL HA 0.000 . 2.700 2.258 2.222 2.337 . 0 0 "[ . 1 . 2 ]" 1
95 1 23 ARG HA 2 25 VAL MG1 0.000 . 4.800 3.402 3.279 3.554 . 0 0 "[ . 1 . 2 ]" 1
96 1 23 ARG HB2 1 24 VAL H 0.000 . 5.000 3.949 3.926 3.971 . 0 0 "[ . 1 . 2 ]" 1
97 1 23 ARG HB3 1 24 VAL H 0.000 . 4.000 2.858 2.815 2.880 . 0 0 "[ . 1 . 2 ]" 1
98 1 24 VAL H 1 24 VAL HA 2.700 2.700 7.700 3.003 3.002 3.004 . 0 0 "[ . 1 . 2 ]" 1
99 1 24 VAL H 1 24 VAL HB 3.200 3.200 8.200 3.740 3.733 3.747 . 0 0 "[ . 1 . 2 ]" 1
100 1 24 VAL H 1 24 VAL MG1 0.000 . 3.500 2.663 2.575 2.749 . 0 0 "[ . 1 . 2 ]" 1
101 1 24 VAL H 1 24 VAL MG2 0.000 . 3.500 1.999 1.846 2.138 . 0 0 "[ . 1 . 2 ]" 1
102 1 24 VAL H 1 25 VAL H 3.200 3.200 8.200 4.505 4.494 4.510 . 0 0 "[ . 1 . 2 ]" 1
103 1 24 VAL H 2 25 VAL HA 0.000 . 4.000 3.530 3.469 3.622 . 0 0 "[ . 1 . 2 ]" 1
104 1 24 VAL HA 1 25 VAL H 0.000 . 2.700 2.331 2.304 2.345 . 0 0 "[ . 1 . 2 ]" 1
105 1 24 VAL MG2 2 24 VAL MG2 0.000 . 3.800 1.799 1.740 1.928 . 0 0 "[ . 1 . 2 ]" 1
106 1 25 VAL H 1 25 VAL HA 2.700 2.700 7.700 2.991 2.989 2.994 . 0 0 "[ . 1 . 2 ]" 1
107 1 25 VAL H 1 25 VAL HB 0.000 . 2.700 2.507 2.476 2.539 . 0 0 "[ . 1 . 2 ]" 1
108 1 25 VAL H 1 25 VAL MG2 0.000 . 3.500 2.402 2.332 2.460 . 0 0 "[ . 1 . 2 ]" 1
109 1 25 VAL H 1 26 ILE H 3.200 3.200 8.200 4.508 4.497 4.517 . 0 0 "[ . 1 . 2 ]" 1
110 1 25 VAL HA 1 25 VAL MG1 0.000 . 3.500 2.296 2.222 2.349 . 0 0 "[ . 1 . 2 ]" 1
111 1 25 VAL HA 1 25 VAL MG2 0.000 . 3.500 2.342 2.318 2.376 . 0 0 "[ . 1 . 2 ]" 1
112 1 25 VAL HA 1 26 ILE H 0.000 . 2.700 2.223 2.218 2.227 . 0 0 "[ . 1 . 2 ]" 1
113 1 25 VAL HA 2 23 ARG HB3 0.000 . 4.000 3.233 3.168 3.339 . 0 0 "[ . 1 . 2 ]" 1
114 1 25 VAL MG1 1 26 ILE H 0.000 . 4.000 2.467 2.370 2.677 . 0 0 "[ . 1 . 2 ]" 1
115 1 25 VAL MG1 2 21 LEU HG 0.000 . 4.000 2.084 1.897 2.811 . 0 0 "[ . 1 . 2 ]" 1
116 1 26 ILE H 1 26 ILE HA 2.700 2.700 7.700 2.956 2.949 2.962 . 0 0 "[ . 1 . 2 ]" 1
117 1 26 ILE H 1 26 ILE HB 0.000 . 3.200 2.089 2.070 2.112 . 0 0 "[ . 1 . 2 ]" 1
118 1 26 ILE H 1 26 ILE HG12 0.000 . 4.000 3.560 2.861 4.040 0.040 6 0 "[ . 1 . 2 ]" 1
119 1 26 ILE H 1 26 ILE HG13 0.000 . 4.000 3.743 2.798 4.011 0.011 11 0 "[ . 1 . 2 ]" 1
120 1 26 ILE H 1 27 PRO HD2 3.200 3.200 8.200 4.786 4.769 4.801 . 0 0 "[ . 1 . 2 ]" 1
121 1 26 ILE H 1 27 PRO HD3 3.200 3.200 8.200 4.949 4.905 4.989 . 0 0 "[ . 1 . 2 ]" 1
122 1 26 ILE H 2 22 GLY QA 0.000 . 4.000 4.381 4.341 4.411 0.411 11 0 "[ . 1 . 2 ]" 1
123 1 26 ILE H 2 23 ARG HA 0.000 . 4.000 2.898 2.839 2.966 . 0 0 "[ . 1 . 2 ]" 1
124 1 26 ILE HA 1 26 ILE MG 0.000 . 3.500 2.600 2.559 2.628 . 0 0 "[ . 1 . 2 ]" 1
125 1 26 ILE MD 1 27 PRO QD 0.000 . 6.600 3.125 1.839 4.415 . 0 0 "[ . 1 . 2 ]" 1
126 1 26 ILE MG 1 27 PRO QD 0.000 . 4.300 2.277 2.165 2.419 . 0 0 "[ . 1 . 2 ]" 1
127 1 26 ILE MG 1 31 ARG H 0.000 . 4.800 2.722 2.657 2.787 . 0 0 "[ . 1 . 2 ]" 1
128 1 26 ILE MG 1 31 ARG HD2 0.000 . 4.800 4.334 4.277 4.388 . 0 0 "[ . 1 . 2 ]" 1
129 1 26 ILE MG 2 51 ILE MD 0.000 . 4.300 2.797 2.501 2.984 . 0 0 "[ . 1 . 2 ]" 1
130 1 27 PRO HA 1 28 ILE H 0.000 . 2.700 2.275 2.267 2.282 . 0 0 "[ . 1 . 2 ]" 1
131 1 27 PRO HA 1 29 GLU H 0.000 . 4.000 4.068 4.051 4.082 0.082 10 0 "[ . 1 . 2 ]" 1
132 1 27 PRO HB2 1 30 LEU H 0.000 . 3.200 2.913 2.868 2.996 . 0 0 "[ . 1 . 2 ]" 1
133 1 27 PRO HB3 1 28 ILE H 0.000 . 4.000 3.759 3.726 3.798 . 0 0 "[ . 1 . 2 ]" 1
134 1 27 PRO HB3 1 30 LEU H 0.000 . 5.000 4.566 4.529 4.643 . 0 0 "[ . 1 . 2 ]" 1
135 1 28 ILE H 1 28 ILE HA 2.700 2.700 7.700 2.820 2.815 2.823 . 0 0 "[ . 1 . 2 ]" 1
136 1 28 ILE H 1 28 ILE HB 0.000 . 2.700 2.235 2.203 2.257 . 0 0 "[ . 1 . 2 ]" 1
137 1 28 ILE H 1 28 ILE MG 0.000 . 3.500 2.282 2.228 2.364 . 0 0 "[ . 1 . 2 ]" 1
138 1 28 ILE H 1 29 GLU H 2.700 2.700 4.000 2.801 2.792 2.820 . 0 0 "[ . 1 . 2 ]" 1
139 1 28 ILE HA 1 28 ILE HB 0.000 . 2.700 2.560 2.547 2.577 . 0 0 "[ . 1 . 2 ]" 1
140 1 28 ILE HA 1 28 ILE MD 0.000 . 4.000 2.317 2.062 2.749 . 0 0 "[ . 1 . 2 ]" 1
141 1 28 ILE HA 1 28 ILE QG 0.000 . 3.500 2.610 2.323 2.774 . 0 0 "[ . 1 . 2 ]" 1
142 1 28 ILE HA 1 29 GLU H 3.200 3.200 8.200 3.536 3.533 3.538 . 0 0 "[ . 1 . 2 ]" 1
143 1 28 ILE HA 1 30 LEU H 0.000 . 4.000 4.053 4.037 4.064 0.064 14 0 "[ . 1 . 2 ]" 1
144 1 28 ILE HA 1 31 ARG H 0.000 . 4.000 2.949 2.876 2.995 . 0 0 "[ . 1 . 2 ]" 1
145 1 28 ILE HA 1 31 ARG HB2 0.000 . 3.200 2.387 2.327 2.423 . 0 0 "[ . 1 . 2 ]" 1
146 1 28 ILE HA 1 31 ARG HB3 0.000 . 4.000 3.689 3.568 3.758 . 0 0 "[ . 1 . 2 ]" 1
147 1 28 ILE HA 1 31 ARG QG 0.000 . 4.800 2.067 1.863 2.205 . 0 0 "[ . 1 . 2 ]" 1
148 1 28 ILE HA 1 32 ARG H 0.000 . 4.000 4.081 4.064 4.114 0.114 17 0 "[ . 1 . 2 ]" 1
149 1 28 ILE MD 1 32 ARG H 0.000 . 4.800 3.610 2.882 4.008 . 0 0 "[ . 1 . 2 ]" 1
150 1 28 ILE MG 1 29 GLU HA 0.000 . 4.800 3.020 2.951 3.097 . 0 0 "[ . 1 . 2 ]" 1
151 1 29 GLU H 1 29 GLU HA 2.700 2.700 7.700 2.844 2.841 2.848 . 0 0 "[ . 1 . 2 ]" 1
152 1 29 GLU H 1 30 LEU H 0.000 . 2.700 2.707 2.694 2.717 0.017 11 0 "[ . 1 . 2 ]" 1
153 1 29 GLU H 1 31 ARG H 0.000 . 4.000 3.984 3.921 4.023 0.023 8 0 "[ . 1 . 2 ]" 1
154 1 29 GLU HA 1 30 LEU H 3.200 3.200 8.200 3.539 3.536 3.541 . 0 0 "[ . 1 . 2 ]" 1
155 1 29 GLU HA 1 32 ARG H 0.000 . 4.000 3.865 3.779 3.939 . 0 0 "[ . 1 . 2 ]" 1
156 1 29 GLU HA 1 32 ARG QB 0.000 . 4.000 3.361 3.300 3.474 . 0 0 "[ . 1 . 2 ]" 1
157 1 29 GLU QB 1 30 LEU H 0.000 . 4.000 2.602 2.541 3.399 . 0 0 "[ . 1 . 2 ]" 1
158 1 29 GLU QG 1 30 LEU H 0.000 . 4.800 3.745 1.921 4.013 . 0 0 "[ . 1 . 2 ]" 1
159 1 30 LEU H 1 30 LEU HA 2.700 2.700 7.700 2.934 2.929 2.938 . 0 0 "[ . 1 . 2 ]" 1
160 1 30 LEU H 1 30 LEU HB2 0.000 . 2.700 2.310 2.291 2.333 . 0 0 "[ . 1 . 2 ]" 1
161 1 30 LEU H 1 30 LEU HB3 0.000 . 4.000 3.547 3.539 3.552 . 0 0 "[ . 1 . 2 ]" 1
162 1 30 LEU H 1 31 ARG H 0.000 . 2.700 2.392 2.370 2.422 . 0 0 "[ . 1 . 2 ]" 1
163 1 30 LEU H 1 32 ARG H 0.000 . 4.000 4.130 4.115 4.152 0.152 17 0 "[ . 1 . 2 ]" 1
164 1 30 LEU HA 1 31 ARG H 3.200 3.200 8.200 3.534 3.523 3.545 . 0 0 "[ . 1 . 2 ]" 1
165 1 30 LEU HA 1 33 THR H 0.000 . 4.000 3.290 3.188 3.399 . 0 0 "[ . 1 . 2 ]" 1
166 1 30 LEU HB2 1 31 ARG H 0.000 . 4.000 2.824 2.784 2.870 . 0 0 "[ . 1 . 2 ]" 1
167 1 30 LEU HB3 1 31 ARG H 0.000 . 4.000 3.819 3.768 3.860 . 0 0 "[ . 1 . 2 ]" 1
168 1 31 ARG H 1 31 ARG HA 2.700 2.700 7.700 2.869 2.866 2.871 . 0 0 "[ . 1 . 2 ]" 1
169 1 31 ARG H 1 31 ARG HB2 0.000 . 3.200 2.462 2.434 2.489 . 0 0 "[ . 1 . 2 ]" 1
170 1 31 ARG H 1 31 ARG HB3 0.000 . 4.000 3.561 3.558 3.563 . 0 0 "[ . 1 . 2 ]" 1
171 1 31 ARG H 1 32 ARG H 0.000 . 2.700 2.691 2.679 2.699 . 0 0 "[ . 1 . 2 ]" 1
172 1 31 ARG HA 1 31 ARG HB3 0.000 . 2.700 2.497 2.485 2.509 . 0 0 "[ . 1 . 2 ]" 1
173 1 31 ARG HA 1 32 ARG H 3.200 3.200 8.200 3.560 3.555 3.563 . 0 0 "[ . 1 . 2 ]" 1
174 1 31 ARG HA 1 34 LEU H 0.000 . 4.000 3.946 3.917 3.992 . 0 0 "[ . 1 . 2 ]" 1
175 1 31 ARG HA 1 34 LEU QB 0.000 . 3.500 3.188 3.177 3.203 . 0 0 "[ . 1 . 2 ]" 1
176 1 31 ARG HB2 1 32 ARG H 0.000 . 3.200 2.399 2.373 2.427 . 0 0 "[ . 1 . 2 ]" 1
177 1 31 ARG HB3 1 32 ARG H 0.000 . 4.000 3.541 3.526 3.554 . 0 0 "[ . 1 . 2 ]" 1
178 1 31 ARG HD3 2 21 LEU QD 0.000 . 5.800 4.045 4.037 4.054 . 0 0 "[ . 1 . 2 ]" 1
179 1 32 ARG H 1 32 ARG HA 2.700 2.700 7.700 2.897 2.894 2.901 . 0 0 "[ . 1 . 2 ]" 1
180 1 32 ARG H 1 32 ARG QB 0.000 . 3.500 2.249 2.170 2.340 . 0 0 "[ . 1 . 2 ]" 1
181 1 32 ARG H 1 33 THR H 0.000 . 2.700 2.713 2.697 2.725 0.025 7 0 "[ . 1 . 2 ]" 1
182 1 32 ARG HA 1 33 THR H 3.200 3.200 8.200 3.587 3.585 3.589 . 0 0 "[ . 1 . 2 ]" 1
183 1 32 ARG HA 1 35 GLY H 0.000 . 4.000 3.659 3.601 3.691 . 0 0 "[ . 1 . 2 ]" 1
184 1 32 ARG QB 1 33 THR H 0.000 . 3.500 2.289 2.245 2.351 . 0 0 "[ . 1 . 2 ]" 1
185 1 32 ARG QG 1 33 THR H 0.000 . 4.800 3.713 3.388 4.016 . 0 0 "[ . 1 . 2 ]" 1
186 1 33 THR H 1 33 THR HA 2.700 2.700 7.700 2.854 2.851 2.858 . 0 0 "[ . 1 . 2 ]" 1
187 1 33 THR H 1 33 THR HB 0.000 . 3.200 2.491 2.476 2.497 . 0 0 "[ . 1 . 2 ]" 1
188 1 33 THR H 1 33 THR MG 0.000 . 4.800 3.697 3.696 3.700 . 0 0 "[ . 1 . 2 ]" 1
189 1 33 THR H 1 34 LEU H 0.000 . 2.700 2.719 2.709 2.728 0.028 3 0 "[ . 1 . 2 ]" 1
190 1 33 THR HA 1 33 THR MG 0.000 . 3.500 2.317 2.236 2.404 . 0 0 "[ . 1 . 2 ]" 1
191 1 33 THR HA 1 34 LEU H 3.200 3.200 8.200 3.536 3.533 3.538 . 0 0 "[ . 1 . 2 ]" 1
192 1 33 THR MG 1 34 LEU H 0.000 . 4.800 3.699 3.651 3.736 . 0 0 "[ . 1 . 2 ]" 1
193 1 34 LEU H 1 34 LEU HA 2.700 2.700 7.700 2.944 2.942 2.946 . 0 0 "[ . 1 . 2 ]" 1
194 1 34 LEU H 1 34 LEU HB2 0.000 . 2.700 2.481 2.448 2.503 . 0 0 "[ . 1 . 2 ]" 1
195 1 34 LEU H 1 34 LEU HB3 0.000 . 2.700 2.503 2.481 2.536 . 0 0 "[ . 1 . 2 ]" 1
196 1 34 LEU H 1 35 GLY H 0.000 . 2.700 2.482 2.471 2.491 . 0 0 "[ . 1 . 2 ]" 1
197 1 34 LEU HA 1 35 GLY H 3.200 3.200 8.200 3.370 3.365 3.374 . 0 0 "[ . 1 . 2 ]" 1
198 1 34 LEU QB 1 35 GLY H 0.000 . 4.000 3.245 3.239 3.255 . 0 0 "[ . 1 . 2 ]" 1
199 1 34 LEU MD1 2 49 GLU HA 0.000 . 4.000 3.370 3.348 3.388 . 0 0 "[ . 1 . 2 ]" 1
200 1 34 LEU MD2 2 51 ILE QG 0.000 . 4.500 2.791 2.492 3.329 . 0 0 "[ . 1 . 2 ]" 1
201 1 35 GLY H 1 35 GLY HA2 0.000 . 2.700 2.344 2.342 2.345 . 0 0 "[ . 1 . 2 ]" 1
202 1 35 GLY H 1 35 GLY HA3 2.700 2.700 7.700 2.868 2.863 2.873 . 0 0 "[ . 1 . 2 ]" 1
203 1 35 GLY H 1 36 ILE H 0.000 . 2.700 2.683 2.654 2.706 0.006 22 0 "[ . 1 . 2 ]" 1
204 1 35 GLY HA2 1 36 ILE H 0.000 . 2.700 2.812 2.795 2.823 0.123 11 0 "[ . 1 . 2 ]" 1
205 1 35 GLY HA3 1 36 ILE H 2.700 2.700 7.700 3.548 3.541 3.556 . 0 0 "[ . 1 . 2 ]" 1
206 1 36 ILE H 1 36 ILE HA 2.700 2.700 7.700 2.999 2.998 3.001 . 0 0 "[ . 1 . 2 ]" 1
207 1 36 ILE H 1 36 ILE HB 0.000 . 2.700 2.501 2.489 2.512 . 0 0 "[ . 1 . 2 ]" 1
208 1 36 ILE HA 1 36 ILE MG 0.000 . 3.500 2.344 2.254 2.424 . 0 0 "[ . 1 . 2 ]" 1
209 1 36 ILE HA 1 37 ALA H 0.000 . 2.700 2.209 2.198 2.213 . 0 0 "[ . 1 . 2 ]" 1
210 1 36 ILE HB 1 37 ALA H 0.000 . 4.000 4.085 4.076 4.097 0.097 22 0 "[ . 1 . 2 ]" 1
211 1 36 ILE MD 1 41 ALA H 0.000 . 5.800 4.887 4.880 4.896 . 0 0 "[ . 1 . 2 ]" 1
212 1 36 ILE MD 1 56 TYR H 0.000 . 4.800 3.975 3.764 4.015 . 0 0 "[ . 1 . 2 ]" 1
213 1 37 ALA H 1 37 ALA HA 2.700 2.700 7.700 2.987 2.984 2.988 . 0 0 "[ . 1 . 2 ]" 1
214 1 37 ALA H 1 37 ALA MB 0.000 . 3.500 2.535 2.522 2.554 . 0 0 "[ . 1 . 2 ]" 1
215 1 37 ALA H 1 38 GLU H 3.200 3.200 8.200 4.458 4.452 4.462 . 0 0 "[ . 1 . 2 ]" 1
216 1 37 ALA H 1 40 ASP QB 0.000 . 3.200 2.408 2.373 2.431 . 0 0 "[ . 1 . 2 ]" 1
217 1 37 ALA H 2 18 VAL MG2 0.000 . 4.800 4.036 4.029 4.043 . 0 0 "[ . 1 . 2 ]" 1
218 1 37 ALA HA 1 38 GLU H 0.000 . 2.700 2.458 2.449 2.475 . 0 0 "[ . 1 . 2 ]" 1
219 1 37 ALA MB 1 38 GLU H 0.000 . 3.500 2.621 2.595 2.637 . 0 0 "[ . 1 . 2 ]" 1
220 1 37 ALA MB 1 40 ASP H 0.000 . 4.800 4.055 4.048 4.063 . 0 0 "[ . 1 . 2 ]" 1
221 1 37 ALA MB 1 40 ASP QB 0.000 . 4.000 3.670 3.650 3.694 . 0 0 "[ . 1 . 2 ]" 1
222 1 38 GLU H 1 38 GLU HA 2.700 2.700 7.700 2.809 2.805 2.811 . 0 0 "[ . 1 . 2 ]" 1
223 1 38 GLU H 1 38 GLU HB2 0.000 . 2.700 2.321 2.288 2.342 . 0 0 "[ . 1 . 2 ]" 1
224 1 38 GLU H 1 38 GLU HB3 0.000 . 2.700 2.558 2.536 2.596 . 0 0 "[ . 1 . 2 ]" 1
225 1 38 GLU H 1 39 LYS H 3.200 3.200 8.200 4.675 4.671 4.681 . 0 0 "[ . 1 . 2 ]" 1
226 1 38 GLU HA 1 39 LYS H 0.000 . 2.700 2.271 2.264 2.300 . 0 0 "[ . 1 . 2 ]" 1
227 1 38 GLU HA 1 40 ASP H 0.000 . 4.000 3.396 3.380 3.412 . 0 0 "[ . 1 . 2 ]" 1
228 1 39 LYS H 1 39 LYS HA 0.000 . 2.700 2.360 2.331 2.364 . 0 0 "[ . 1 . 2 ]" 1
229 1 39 LYS H 1 39 LYS HB2 0.000 . 3.200 3.165 3.134 3.376 0.176 15 0 "[ . 1 . 2 ]" 1
230 1 39 LYS H 1 39 LYS HB3 0.000 . 4.000 3.765 3.730 4.079 0.079 15 0 "[ . 1 . 2 ]" 1
231 1 39 LYS H 1 40 ASP H 0.000 . 3.200 2.803 2.785 2.893 . 0 0 "[ . 1 . 2 ]" 1
232 1 39 LYS H 2 18 VAL MG2 0.000 . 4.800 4.046 4.036 4.057 . 0 0 "[ . 1 . 2 ]" 1
233 1 39 LYS H 2 19 ASP HA 0.000 . 4.000 4.078 4.059 4.098 0.098 12 0 "[ . 1 . 2 ]" 1
234 1 39 LYS HA 1 40 ASP H 2.700 2.700 7.700 3.381 3.365 3.387 . 0 0 "[ . 1 . 2 ]" 1
235 1 39 LYS HB2 1 40 ASP H 0.000 . 5.000 4.113 3.486 4.181 . 0 0 "[ . 1 . 2 ]" 1
236 1 39 LYS HB3 1 40 ASP H 0.000 . 3.200 3.479 3.407 4.129 0.929 20 2 "[ . 1 - + ]" 1
237 1 40 ASP H 1 40 ASP QB 0.000 . 3.200 2.192 2.186 2.199 . 0 0 "[ . 1 . 2 ]" 1
238 1 40 ASP H 1 41 ALA H 3.200 3.200 8.200 4.639 4.631 4.643 . 0 0 "[ . 1 . 2 ]" 1
239 1 40 ASP H 2 18 VAL MG1 0.000 . 4.800 3.942 3.604 4.004 . 0 0 "[ . 1 . 2 ]" 1
240 1 40 ASP HA 1 41 ALA H 0.000 . 2.700 2.465 2.450 2.488 . 0 0 "[ . 1 . 2 ]" 1
241 1 40 ASP QB 1 41 ALA H 0.000 . 2.700 2.518 2.468 2.550 . 0 0 "[ . 1 . 2 ]" 1
242 1 41 ALA H 1 41 ALA HA 2.700 2.700 7.700 2.984 2.979 2.989 . 0 0 "[ . 1 . 2 ]" 1
243 1 41 ALA H 1 41 ALA MB 0.000 . 3.500 2.233 2.189 2.283 . 0 0 "[ . 1 . 2 ]" 1
244 1 41 ALA H 1 42 LEU H 3.200 3.200 8.200 4.509 4.490 4.522 . 0 0 "[ . 1 . 2 ]" 1
245 1 41 ALA H 2 18 VAL MG2 0.000 . 5.800 3.804 3.707 3.884 . 0 0 "[ . 1 . 2 ]" 1
246 1 41 ALA HA 1 42 LEU H 0.000 . 2.700 2.204 2.201 2.209 . 0 0 "[ . 1 . 2 ]" 1
247 1 41 ALA MB 1 42 LEU H 0.000 . 4.000 3.195 3.158 3.221 . 0 0 "[ . 1 . 2 ]" 1
248 1 41 ALA MB 1 56 TYR HD2 0.000 . 3.500 1.701 1.697 1.709 . 0 0 "[ . 1 . 2 ]" 1
249 1 41 ALA MB 1 56 TYR HE2 0.000 . 4.000 3.359 3.334 3.382 . 0 0 "[ . 1 . 2 ]" 1
250 1 42 LEU H 1 42 LEU HA 2.700 2.700 7.700 3.001 2.999 3.003 . 0 0 "[ . 1 . 2 ]" 1
251 1 42 LEU H 1 42 LEU HB2 0.000 . 3.200 2.572 2.562 2.583 . 0 0 "[ . 1 . 2 ]" 1
252 1 42 LEU H 1 42 LEU HB3 0.000 . 4.000 3.683 3.675 3.689 . 0 0 "[ . 1 . 2 ]" 1
253 1 42 LEU H 1 43 GLU H 3.200 3.200 8.200 4.530 4.511 4.537 . 0 0 "[ . 1 . 2 ]" 1
254 1 42 LEU H 2 15 VAL MG1 0.000 . 4.800 2.704 2.459 2.811 . 0 0 "[ . 1 . 2 ]" 1
255 1 42 LEU H 2 17 LYS HA 0.000 . 4.000 3.519 3.401 3.802 . 0 0 "[ . 1 . 2 ]" 1
256 1 42 LEU HA 1 43 GLU H 0.000 . 2.700 2.301 2.283 2.316 . 0 0 "[ . 1 . 2 ]" 1
257 1 42 LEU HA 1 56 TYR H 0.000 . 3.200 3.092 2.913 3.204 0.004 3 0 "[ . 1 . 2 ]" 1
258 1 42 LEU HB2 1 43 GLU H 0.000 . 4.000 3.950 3.922 3.988 . 0 0 "[ . 1 . 2 ]" 1
259 1 42 LEU HB3 1 43 GLU H 0.000 . 4.000 3.187 3.146 3.237 . 0 0 "[ . 1 . 2 ]" 1
260 1 43 GLU H 1 43 GLU HA 2.700 2.700 7.700 2.999 2.996 3.000 . 0 0 "[ . 1 . 2 ]" 1
261 1 43 GLU H 1 43 GLU HB2 0.000 . 4.000 2.864 2.801 2.907 . 0 0 "[ . 1 . 2 ]" 1
262 1 43 GLU H 1 43 GLU HB3 0.000 . 3.200 2.537 2.510 2.571 . 0 0 "[ . 1 . 2 ]" 1
263 1 43 GLU H 1 44 ILE H 3.200 3.200 8.200 4.472 4.451 4.491 . 0 0 "[ . 1 . 2 ]" 1
264 1 43 GLU H 1 54 LYS H 0.000 . 3.200 3.293 3.247 3.328 0.128 22 0 "[ . 1 . 2 ]" 1
265 1 43 GLU H 1 55 LYS HA 0.000 . 5.000 3.906 3.835 4.017 . 0 0 "[ . 1 . 2 ]" 1
266 1 43 GLU H 1 56 TYR H 0.000 . 5.000 3.838 3.794 3.905 . 0 0 "[ . 1 . 2 ]" 1
267 1 43 GLU H 1 56 TYR HB2 2.700 2.700 5.000 2.659 2.635 2.697 0.065 19 0 "[ . 1 . 2 ]" 1
268 1 43 GLU H 1 56 TYR HB3 2.700 2.700 7.700 4.220 4.159 4.327 . 0 0 "[ . 1 . 2 ]" 1
269 1 43 GLU HA 1 44 ILE H 0.000 . 2.700 2.221 2.213 2.231 . 0 0 "[ . 1 . 2 ]" 1
270 1 43 GLU HA 1 56 TYR HD1 0.000 . 5.000 4.710 4.393 4.973 . 0 0 "[ . 1 . 2 ]" 1
271 1 43 GLU HB2 1 44 ILE H 0.000 . 5.000 4.244 4.222 4.276 . 0 0 "[ . 1 . 2 ]" 1
272 1 43 GLU HB2 1 56 TYR HD1 0.000 . 3.200 2.390 2.134 2.670 . 0 0 "[ . 1 . 2 ]" 1
273 1 43 GLU HB2 1 56 TYR HE1 0.000 . 4.000 4.057 4.039 4.078 0.078 8 0 "[ . 1 . 2 ]" 1
274 1 43 GLU HB3 1 44 ILE H 0.000 . 4.000 4.054 4.042 4.066 0.066 3 0 "[ . 1 . 2 ]" 1
275 1 43 GLU HB3 1 45 TYR HE1 0.000 . 3.200 2.421 2.212 2.654 . 0 0 "[ . 1 . 2 ]" 1
276 1 43 GLU HB3 1 56 TYR HD1 0.000 . 4.000 3.643 3.482 3.919 . 0 0 "[ . 1 . 2 ]" 1
277 1 43 GLU QG 1 45 TYR HD1 0.000 . 4.000 2.949 2.880 3.208 . 0 0 "[ . 1 . 2 ]" 1
278 1 43 GLU QG 1 45 TYR HE1 0.000 . 3.500 2.046 1.877 2.486 . 0 0 "[ . 1 . 2 ]" 1
279 1 44 ILE H 1 44 ILE HA 2.700 2.700 7.700 2.975 2.971 2.981 . 0 0 "[ . 1 . 2 ]" 1
280 1 44 ILE H 1 44 ILE HB 0.000 . 2.700 2.433 2.419 2.475 . 0 0 "[ . 1 . 2 ]" 1
281 1 44 ILE H 1 45 TYR H 3.200 3.200 8.200 4.476 4.463 4.493 . 0 0 "[ . 1 . 2 ]" 1
282 1 44 ILE H 2 15 VAL HA 0.000 . 4.000 2.808 2.677 2.908 . 0 0 "[ . 1 . 2 ]" 1
283 1 44 ILE HA 1 45 TYR H 0.000 . 2.700 2.175 2.166 2.191 . 0 0 "[ . 1 . 2 ]" 1
284 1 44 ILE HA 1 45 TYR HD1 0.000 . 4.000 2.974 2.886 3.035 . 0 0 "[ . 1 . 2 ]" 1
285 1 44 ILE HA 1 54 LYS H 0.000 . 4.000 3.868 3.737 3.965 . 0 0 "[ . 1 . 2 ]" 1
286 1 44 ILE MG 2 30 LEU MD1 0.000 . 4.500 3.131 3.095 3.145 . 0 0 "[ . 1 . 2 ]" 1
287 1 45 TYR H 1 45 TYR HA 2.700 2.700 7.700 2.996 2.993 2.998 . 0 0 "[ . 1 . 2 ]" 1
288 1 45 TYR H 1 46 VAL H 3.200 3.200 8.200 4.537 4.524 4.550 . 0 0 "[ . 1 . 2 ]" 1
289 1 45 TYR H 1 52 ILE H 0.000 . 4.000 3.260 3.050 3.427 . 0 0 "[ . 1 . 2 ]" 1
290 1 45 TYR HA 1 46 VAL H 0.000 . 2.700 2.390 2.371 2.415 . 0 0 "[ . 1 . 2 ]" 1
291 1 45 TYR QB 1 46 VAL H 0.000 . 3.500 2.738 2.658 2.806 . 0 0 "[ . 1 . 2 ]" 1
292 1 45 TYR HB2 1 45 TYR HD1 0.000 . 2.700 2.704 2.645 2.759 0.059 4 0 "[ . 1 . 2 ]" 1
293 1 45 TYR HB3 1 45 TYR HD2 0.000 . 2.700 2.286 2.281 2.291 . 0 0 "[ . 1 . 2 ]" 1
294 1 45 TYR HD2 1 46 VAL H 0.000 . 4.000 4.054 4.019 4.114 0.114 3 0 "[ . 1 . 2 ]" 1
295 1 45 TYR HD2 1 52 ILE HB 0.000 . 5.000 4.104 4.053 4.164 . 0 0 "[ . 1 . 2 ]" 1
296 1 45 TYR HD2 1 52 ILE MG 0.000 . 5.000 3.666 3.532 3.875 . 0 0 "[ . 1 . 2 ]" 1
297 1 45 TYR HE1 1 54 LYS QB 0.000 . 5.800 4.478 3.984 4.657 . 0 0 "[ . 1 . 2 ]" 1
298 1 45 TYR HE1 1 54 LYS QD 0.000 . 5.800 2.641 2.170 3.128 . 0 0 "[ . 1 . 2 ]" 1
299 1 45 TYR HE1 1 54 LYS HG2 0.000 . 3.200 2.651 2.251 2.942 . 0 0 "[ . 1 . 2 ]" 1
300 1 45 TYR HE1 1 54 LYS HG3 0.000 . 3.200 3.297 3.223 3.348 0.148 11 0 "[ . 1 . 2 ]" 1
301 1 45 TYR HE2 1 52 ILE MG 0.000 . 5.800 4.933 4.914 4.949 . 0 0 "[ . 1 . 2 ]" 1
302 1 46 VAL H 1 46 VAL HA 2.700 2.700 7.700 2.992 2.989 2.996 . 0 0 "[ . 1 . 2 ]" 1
303 1 46 VAL H 1 46 VAL HB 0.000 . 3.200 2.628 2.593 2.662 . 0 0 "[ . 1 . 2 ]" 1
304 1 46 VAL H 1 47 ASP H 3.200 3.200 8.200 4.230 4.143 4.298 . 0 0 "[ . 1 . 2 ]" 1
305 1 46 VAL HA 1 47 ASP H 0.000 . 2.700 2.208 2.196 2.215 . 0 0 "[ . 1 . 2 ]" 1
306 1 46 VAL HA 1 52 ILE H 0.000 . 4.000 3.190 3.039 3.431 . 0 0 "[ . 1 . 2 ]" 1
307 1 46 VAL MG1 1 47 ASP H 0.000 . 4.000 2.840 2.710 2.961 . 0 0 "[ . 1 . 2 ]" 1
308 1 46 VAL MG1 1 47 ASP HA 0.000 . 4.000 3.354 3.346 3.360 . 0 0 "[ . 1 . 2 ]" 1
309 1 46 VAL MG2 1 51 ILE HA 0.000 . 4.000 3.361 3.350 3.379 . 0 0 "[ . 1 . 2 ]" 1
310 1 46 VAL MG2 2 30 LEU MD1 0.000 . 4.800 1.934 1.665 2.625 . 0 0 "[ . 1 . 2 ]" 1
311 1 46 VAL MG2 2 30 LEU MD2 0.000 . 4.800 2.155 1.932 2.634 . 0 0 "[ . 1 . 2 ]" 1
312 1 47 ASP H 1 47 ASP HA 2.700 2.700 7.700 2.970 2.965 2.975 . 0 0 "[ . 1 . 2 ]" 1
313 1 47 ASP H 1 48 ASP H 3.200 3.200 8.200 4.354 4.221 4.432 . 0 0 "[ . 1 . 2 ]" 1
314 1 47 ASP H 1 50 LYS H 0.000 . 4.000 3.221 3.035 3.408 . 0 0 "[ . 1 . 2 ]" 1
315 1 47 ASP H 1 51 ILE HA 0.000 . 4.000 3.631 3.355 3.833 . 0 0 "[ . 1 . 2 ]" 1
316 1 47 ASP HA 1 48 ASP H 0.000 . 2.700 2.303 2.226 2.409 . 0 0 "[ . 1 . 2 ]" 1
317 1 47 ASP QB 1 48 ASP H 0.000 . 4.000 3.006 2.662 3.366 . 0 0 "[ . 1 . 2 ]" 1
318 1 48 ASP H 1 48 ASP HA 0.000 . 2.700 2.378 2.370 2.383 . 0 0 "[ . 1 . 2 ]" 1
319 1 48 ASP H 1 48 ASP HB2 0.000 . 3.200 2.862 2.813 2.926 . 0 0 "[ . 1 . 2 ]" 1
320 1 48 ASP H 1 48 ASP HB3 0.000 . 3.200 3.299 3.287 3.317 0.117 15 0 "[ . 1 . 2 ]" 1
321 1 48 ASP HA 1 49 GLU H 2.700 2.700 7.700 2.842 2.776 2.912 . 0 0 "[ . 1 . 2 ]" 1
322 1 49 GLU H 1 49 GLU HA 0.000 . 2.700 2.362 2.359 2.365 . 0 0 "[ . 1 . 2 ]" 1
323 1 49 GLU H 1 50 LYS H 0.000 . 2.700 2.771 2.754 2.793 0.093 3 0 "[ . 1 . 2 ]" 1
324 1 49 GLU HA 1 50 LYS H 2.700 2.700 7.700 3.184 3.142 3.215 . 0 0 "[ . 1 . 2 ]" 1
325 1 50 LYS H 1 50 LYS HA 2.700 2.700 7.700 2.995 2.989 2.999 . 0 0 "[ . 1 . 2 ]" 1
326 1 50 LYS H 1 51 ILE H 3.200 3.200 8.200 4.508 4.469 4.542 . 0 0 "[ . 1 . 2 ]" 1
327 1 50 LYS HA 1 51 ILE H 0.000 . 2.700 2.356 2.294 2.456 . 0 0 "[ . 1 . 2 ]" 1
328 1 51 ILE H 1 51 ILE HA 2.700 2.700 7.700 2.975 2.963 2.984 . 0 0 "[ . 1 . 2 ]" 1
329 1 51 ILE H 1 51 ILE HB 0.000 . 3.200 2.421 2.406 2.436 . 0 0 "[ . 1 . 2 ]" 1
330 1 51 ILE H 1 51 ILE MD 0.000 . 4.000 3.366 3.352 3.371 . 0 0 "[ . 1 . 2 ]" 1
331 1 51 ILE H 1 52 ILE H 3.200 3.200 8.200 4.520 4.495 4.553 . 0 0 "[ . 1 . 2 ]" 1
332 1 51 ILE H 2 53 LEU H 0.000 . 2.700 3.178 2.966 3.373 0.673 2 11 "[ + *****1 ** .* * 2 -]" 1
333 1 51 ILE HA 1 52 ILE H 0.000 . 2.700 2.215 2.202 2.230 . 0 0 "[ . 1 . 2 ]" 1
334 1 51 ILE MG 2 26 ILE MD 0.000 . 5.500 2.620 1.732 3.486 . 0 0 "[ . 1 . 2 ]" 1
335 1 52 ILE H 1 52 ILE HA 2.700 2.700 7.700 2.998 2.993 3.001 . 0 0 "[ . 1 . 2 ]" 1
336 1 52 ILE H 1 52 ILE HB 0.000 . 3.200 2.403 2.323 2.474 . 0 0 "[ . 1 . 2 ]" 1
337 1 52 ILE H 1 52 ILE MD 0.000 . 4.000 3.363 3.250 3.415 . 0 0 "[ . 1 . 2 ]" 1
338 1 52 ILE H 1 53 LEU H 3.200 3.200 8.200 4.340 4.310 4.365 . 0 0 "[ . 1 . 2 ]" 1
339 1 52 ILE HA 1 53 LEU H 0.000 . 2.700 2.220 2.208 2.229 . 0 0 "[ . 1 . 2 ]" 1
340 1 52 ILE MG 1 53 LEU H 0.000 . 4.000 2.811 2.733 2.908 . 0 0 "[ . 1 . 2 ]" 1
341 1 52 ILE MG 2 50 LYS QB 0.000 . 4.000 2.806 2.312 3.002 . 0 0 "[ . 1 . 2 ]" 1
342 1 52 ILE MG 2 50 LYS QD 0.000 . 4.000 2.451 1.773 2.973 . 0 0 "[ . 1 . 2 ]" 1
343 1 52 ILE MG 2 50 LYS QE 0.000 . 4.800 3.248 2.099 3.606 . 0 0 "[ . 1 . 2 ]" 1
344 1 53 LEU H 1 53 LEU HA 2.700 2.700 7.700 3.002 2.993 3.008 . 0 0 "[ . 1 . 2 ]" 1
345 1 53 LEU H 1 53 LEU HB2 0.000 . 3.200 2.508 2.464 2.570 . 0 0 "[ . 1 . 2 ]" 1
346 1 53 LEU H 1 53 LEU HB3 0.000 . 4.000 3.696 3.655 3.739 . 0 0 "[ . 1 . 2 ]" 1
347 1 53 LEU H 1 54 LYS H 3.200 3.200 8.200 4.465 4.431 4.503 . 0 0 "[ . 1 . 2 ]" 1
348 1 53 LEU HA 1 54 LYS H 0.000 . 2.700 2.221 2.210 2.229 . 0 0 "[ . 1 . 2 ]" 1
349 1 53 LEU HB2 1 54 LYS H 0.000 . 4.000 4.132 4.108 4.153 0.153 11 0 "[ . 1 . 2 ]" 1
350 1 53 LEU HB3 1 54 LYS H 0.000 . 5.000 3.301 3.262 3.340 . 0 0 "[ . 1 . 2 ]" 1
351 1 53 LEU MD1 2 51 ILE HB 0.000 . 4.000 2.492 2.381 2.627 . 0 0 "[ . 1 . 2 ]" 1
352 1 53 LEU MD1 2 51 ILE MG 0.000 . 4.700 2.848 2.650 3.042 . 0 0 "[ . 1 . 2 ]" 1
353 1 53 LEU MD2 2 51 ILE MD 0.000 . 4.700 3.177 2.873 3.275 . 0 0 "[ . 1 . 2 ]" 1
354 1 53 LEU HG 1 54 LYS H 0.000 . 4.000 4.454 4.410 4.502 0.502 22 2 "[ . 1 . 2-+]" 1
355 1 54 LYS H 1 54 LYS HA 2.700 2.700 7.700 2.989 2.984 2.992 . 0 0 "[ . 1 . 2 ]" 1
356 1 54 LYS H 1 55 LYS H 3.200 3.200 8.200 4.468 4.463 4.473 . 0 0 "[ . 1 . 2 ]" 1
357 1 54 LYS HA 1 55 LYS H 0.000 . 2.700 2.427 2.388 2.456 . 0 0 "[ . 1 . 2 ]" 1
358 1 54 LYS QB 1 55 LYS H 0.000 . 4.800 2.643 2.585 2.735 . 0 0 "[ . 1 . 2 ]" 1
359 1 54 LYS QG 1 55 LYS H 0.000 . 4.800 3.519 3.319 3.729 . 0 0 "[ . 1 . 2 ]" 1
360 1 55 LYS H 1 55 LYS HA 2.700 2.700 7.700 2.846 2.840 2.854 . 0 0 "[ . 1 . 2 ]" 1
361 1 55 LYS H 1 55 LYS HB2 0.000 . 2.700 2.390 2.380 2.417 . 0 0 "[ . 1 . 2 ]" 1
362 1 55 LYS H 1 55 LYS HB3 0.000 . 2.700 2.491 2.458 2.506 . 0 0 "[ . 1 . 2 ]" 1
363 1 55 LYS H 1 56 TYR H 3.200 3.200 8.200 4.668 4.664 4.674 . 0 0 "[ . 1 . 2 ]" 1
364 1 55 LYS HA 1 56 TYR H 0.000 . 2.700 2.279 2.272 2.297 . 0 0 "[ . 1 . 2 ]" 1
365 1 55 LYS HB2 1 56 TYR H 0.000 . 4.000 4.133 4.119 4.146 0.146 1 0 "[ . 1 . 2 ]" 1
366 1 55 LYS HB3 1 56 TYR H 0.000 . 4.000 3.958 3.928 3.989 . 0 0 "[ . 1 . 2 ]" 1
367 1 56 TYR H 1 56 TYR HA 2.700 2.700 7.700 2.979 2.973 2.985 . 0 0 "[ . 1 . 2 ]" 1
368 1 56 TYR H 1 56 TYR HB2 0.000 . 2.700 2.742 2.705 2.766 0.066 21 0 "[ . 1 . 2 ]" 1
369 1 56 TYR H 1 56 TYR HB3 0.000 . 2.700 2.393 2.365 2.420 . 0 0 "[ . 1 . 2 ]" 1
370 1 56 TYR H 1 57 LYS H 3.200 3.200 8.200 4.424 4.332 4.501 . 0 0 "[ . 1 . 2 ]" 1
371 1 56 TYR H 1 58 PRO HD2 2.700 2.700 7.700 6.941 6.724 7.239 . 0 0 "[ . 1 . 2 ]" 1
372 1 56 TYR H 1 58 PRO HD3 2.700 2.700 7.700 5.804 5.661 5.923 . 0 0 "[ . 1 . 2 ]" 1
373 1 56 TYR HA 1 56 TYR HD1 0.000 . 2.700 1.890 1.854 1.987 . 0 0 "[ . 1 . 2 ]" 1
374 1 56 TYR HA 1 57 LYS H 0.000 . 2.700 2.195 2.188 2.208 . 0 0 "[ . 1 . 2 ]" 1
375 1 56 TYR HD2 2 15 VAL MG1 0.000 . 4.000 2.190 1.990 2.434 . 0 0 "[ . 1 . 2 ]" 1
376 1 56 TYR HD2 2 15 VAL MG2 0.000 . 4.000 3.336 3.272 3.351 . 0 0 "[ . 1 . 2 ]" 1
377 1 56 TYR HE1 1 58 PRO HA 0.000 . 4.000 4.045 4.028 4.064 0.064 18 0 "[ . 1 . 2 ]" 1
378 1 56 TYR HE2 2 15 VAL MG1 0.000 . 4.800 2.779 2.404 3.265 . 0 0 "[ . 1 . 2 ]" 1
379 1 56 TYR HE2 2 15 VAL MG2 0.000 . 4.800 3.348 3.195 3.520 . 0 0 "[ . 1 . 2 ]" 1
380 1 57 LYS H 1 57 LYS HA 2.700 2.700 7.700 2.990 2.985 2.993 . 0 0 "[ . 1 . 2 ]" 1
381 1 58 PRO HA 1 59 ASN H 0.000 . 2.700 2.286 2.275 2.321 . 0 0 "[ . 1 . 2 ]" 1
382 1 59 ASN H 1 59 ASN HA 2.700 2.700 7.700 2.902 2.754 3.002 . 0 0 "[ . 1 . 2 ]" 1
383 2 11 SER H 2 12 THR H 3.200 3.200 8.200 4.220 3.118 4.695 0.082 9 0 "[ . 1 . 2 ]" 1
384 2 56 TYR H 2 57 LYS H 3.200 3.200 8.200 4.397 4.331 4.472 . 0 0 "[ . 1 . 2 ]" 1
385 2 56 TYR H 2 58 PRO HD2 2.700 2.700 7.700 5.980 5.344 6.819 . 0 0 "[ . 1 . 2 ]" 1
386 2 56 TYR H 2 58 PRO HD3 2.700 2.700 7.700 5.502 4.772 6.901 . 0 0 "[ . 1 . 2 ]" 1
387 2 56 TYR HA 2 57 LYS H 0.000 . 2.700 2.215 2.208 2.228 . 0 0 "[ . 1 . 2 ]" 1
388 2 56 TYR HE1 2 58 PRO HA 0.000 . 4.000 3.413 2.906 4.084 0.084 15 0 "[ . 1 . 2 ]" 1
389 2 57 LYS H 2 57 LYS HA 2.700 2.700 7.700 2.997 2.973 3.003 . 0 0 "[ . 1 . 2 ]" 1
390 2 58 PRO HA 2 59 ASN H 0.000 . 2.700 2.289 2.268 2.350 . 0 0 "[ . 1 . 2 ]" 1
391 2 59 ASN H 2 59 ASN HA 2.700 2.700 7.700 2.947 2.806 3.003 . 0 0 "[ . 1 . 2 ]" 1
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