NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
637913 |
5zuh   |
36185 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5zuh
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 906
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 LYS 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 1 THR HA 1 2 ASP H . . 3.200 2.198 2.165 2.223 . 0 0 "[ . 1 . 2]" 1
2 1 1 THR HB 1 2 ASP H . . 4.000 3.350 2.902 3.852 . 0 0 "[ . 1 . 2]" 1
3 1 1 THR MG 1 2 ASP H . . 4.800 3.012 2.194 3.951 . 0 0 "[ . 1 . 2]" 1
4 1 2 ASP H 1 2 ASP HB3 . . 4.200 3.354 2.989 3.893 . 0 0 "[ . 1 . 2]" 1
5 1 2 ASP H 1 3 HIS H . . 5.200 4.343 4.291 4.400 . 0 0 "[ . 1 . 2]" 1
6 1 2 ASP HA 1 3 HIS H . . 3.200 2.173 2.151 2.196 . 0 0 "[ . 1 . 2]" 1
7 1 2 ASP HB2 1 3 HIS H . . 4.200 3.366 3.063 3.910 . 0 0 "[ . 1 . 2]" 1
8 1 3 HIS H 1 3 HIS HB3 . . 4.200 3.193 3.013 3.357 . 0 0 "[ . 1 . 2]" 1
9 1 3 HIS H 1 4 GLN H . . 5.200 4.344 4.306 4.404 . 0 0 "[ . 1 . 2]" 1
10 1 1 THR HB 1 3 HIS HB3 . . 5.800 5.184 4.819 5.733 . 0 0 "[ . 1 . 2]" 1
11 1 3 HIS HA 1 4 GLN H . . 3.200 2.167 2.150 2.184 . 0 0 "[ . 1 . 2]" 1
12 1 3 HIS HB2 1 4 GLN H . . 4.300 3.203 3.102 3.312 . 0 0 "[ . 1 . 2]" 1
13 1 4 GLN H 1 4 GLN HB3 . . 4.100 3.182 3.019 3.344 . 0 0 "[ . 1 . 2]" 1
14 1 4 GLN H 1 4 GLN HG2 . . 3.200 2.140 1.962 2.436 . 0 0 "[ . 1 . 2]" 1
15 1 2 ASP HB2 1 4 GLN HB3 . . 5.800 5.249 4.854 5.647 . 0 0 "[ . 1 . 2]" 1
16 1 4 GLN HG3 1 58 PHE HB2 . . 4.700 4.350 3.906 4.642 . 0 0 "[ . 1 . 2]" 1
17 1 4 GLN HA 1 84 LYS HD3 . . 4.800 4.541 4.275 4.753 . 0 0 "[ . 1 . 2]" 1
18 1 4 GLN HA 1 5 THR H . . 3.300 2.160 2.142 2.172 . 0 0 "[ . 1 . 2]" 1
19 1 4 GLN HB2 1 5 THR H . . 4.100 3.224 3.141 3.381 . 0 0 "[ . 1 . 2]" 1
20 1 4 GLN HG3 1 5 THR H . . 5.200 4.691 4.333 5.195 . 0 0 "[ . 1 . 2]" 1
21 1 4 GLN H 1 5 THR H . . 5.400 4.333 4.263 4.387 . 0 0 "[ . 1 . 2]" 1
22 1 5 THR H 1 5 THR HB . . 3.800 3.090 2.902 3.278 . 0 0 "[ . 1 . 2]" 1
23 1 5 THR H 1 6 VAL H . . 5.200 4.193 4.106 4.251 . 0 0 "[ . 1 . 2]" 1
24 1 5 THR H 1 84 LYS HD3 . . 4.000 3.924 3.807 4.000 . 0 0 "[ . 1 . 2]" 1
25 1 5 THR HA 1 57 VAL HA . . 4.100 3.254 3.082 3.370 . 0 0 "[ . 1 . 2]" 1
26 1 5 THR MG 1 55 PHE HB3 . . 3.800 2.423 2.136 2.611 . 0 0 "[ . 1 . 2]" 1
27 1 3 HIS HB2 1 5 THR HG1 . . 5.200 4.284 3.475 4.801 . 0 0 "[ . 1 . 2]" 1
28 1 5 THR HA 1 6 VAL H . . 3.200 2.160 2.143 2.177 . 0 0 "[ . 1 . 2]" 1
29 1 5 THR HB 1 6 VAL H . . 5.000 3.952 3.694 4.257 . 0 0 "[ . 1 . 2]" 1
30 1 5 THR MG 1 6 VAL H . . 3.500 2.623 2.255 2.853 . 0 0 "[ . 1 . 2]" 1
31 1 6 VAL H 1 6 VAL HB . . 3.700 2.674 2.642 2.706 . 0 0 "[ . 1 . 2]" 1
32 1 6 VAL H 1 6 VAL MG2 . . 3.800 2.595 2.438 2.682 . 0 0 "[ . 1 . 2]" 1
33 1 6 VAL H 1 7 TYR H . . 5.400 4.506 4.483 4.523 . 0 0 "[ . 1 . 2]" 1
34 1 6 VAL H 1 56 VAL H . . 3.600 3.147 3.036 3.273 . 0 0 "[ . 1 . 2]" 1
35 1 6 VAL H 1 56 VAL MG2 . . 4.800 3.229 2.955 3.324 . 0 0 "[ . 1 . 2]" 1
36 1 6 VAL H 1 57 VAL HA . . 4.600 3.468 3.345 3.575 . 0 0 "[ . 1 . 2]" 1
37 1 6 VAL H 1 57 VAL MG2 . . 5.300 3.530 3.357 3.687 . 0 0 "[ . 1 . 2]" 1
38 1 4 GLN HB2 1 6 VAL MG2 . . 5.600 4.131 3.942 4.351 . 0 0 "[ . 1 . 2]" 1
39 1 6 VAL HB 1 56 VAL MG2 . . 3.400 1.935 1.908 1.995 . 0 0 "[ . 1 . 2]" 1
40 1 6 VAL HA 1 7 TYR H . . 3.300 2.257 2.248 2.267 . 0 0 "[ . 1 . 2]" 1
41 1 6 VAL HB 1 7 TYR H . . 4.600 3.788 3.755 3.818 . 0 0 "[ . 1 . 2]" 1
42 1 6 VAL MG1 1 7 TYR H . . 3.200 2.093 1.943 2.201 . 0 0 "[ . 1 . 2]" 1
43 1 6 VAL MG2 1 7 TYR H . . 5.400 3.957 3.936 3.971 . 0 0 "[ . 1 . 2]" 1
44 1 7 TYR H 1 7 TYR HB2 . . 3.600 2.693 2.645 2.712 . 0 0 "[ . 1 . 2]" 1
45 1 7 TYR H 1 82 GLU H . . 4.500 3.817 3.735 3.879 . 0 0 "[ . 1 . 2]" 1
46 1 7 TYR H 1 82 GLU HB2 . . 4.500 4.459 4.364 4.496 . 0 0 "[ . 1 . 2]" 1
47 1 7 TYR H 1 83 MET HA . . 4.600 4.582 4.548 4.598 . 0 0 "[ . 1 . 2]" 1
48 1 7 TYR HA 1 55 PHE HA . . 3.800 2.882 2.853 2.916 . 0 0 "[ . 1 . 2]" 1
49 1 7 TYR HA 1 55 PHE HD2 . . 3.800 3.226 2.839 3.593 . 0 0 "[ . 1 . 2]" 1
50 1 7 TYR HD1 1 55 PHE HE2 . . 2.800 2.033 2.002 2.201 . 0 0 "[ . 1 . 2]" 1
51 1 7 TYR HB2 1 82 GLU HB2 . . 3.500 2.780 2.639 2.917 . 0 0 "[ . 1 . 2]" 1
52 1 7 TYR HA 1 8 VAL H . . 3.200 2.154 2.144 2.164 . 0 0 "[ . 1 . 2]" 1
53 1 7 TYR HB3 1 8 VAL H . . 4.200 3.287 3.209 3.375 . 0 0 "[ . 1 . 2]" 1
54 1 7 TYR H 1 8 VAL H . . 5.400 4.407 4.376 4.432 . 0 0 "[ . 1 . 2]" 1
55 1 8 VAL H 1 8 VAL HB . . 3.700 2.775 2.750 2.802 . 0 0 "[ . 1 . 2]" 1
56 1 8 VAL H 1 8 VAL MG2 . . 4.300 2.764 2.643 2.848 . 0 0 "[ . 1 . 2]" 1
57 1 8 VAL H 1 53 SER HB3 . . 5.600 3.859 3.580 4.223 . 0 0 "[ . 1 . 2]" 1
58 1 8 VAL H 1 54 VAL HB . . 5.000 4.935 4.822 4.999 . 0 0 "[ . 1 . 2]" 1
59 1 8 VAL H 1 54 VAL MG2 . . 3.300 2.664 2.510 2.840 . 0 0 "[ . 1 . 2]" 1
60 1 8 VAL H 1 54 VAL H . . 3.800 3.277 3.177 3.419 . 0 0 "[ . 1 . 2]" 1
61 1 8 VAL H 1 55 PHE HA . . 3.800 3.709 3.610 3.787 . 0 0 "[ . 1 . 2]" 1
62 1 6 VAL HB 1 8 VAL MG2 . . 5.000 3.562 3.418 3.612 . 0 0 "[ . 1 . 2]" 1
63 1 6 VAL MG1 1 8 VAL MG2 . . 3.800 2.485 2.388 2.615 . 0 0 "[ . 1 . 2]" 1
64 1 8 VAL HB 1 54 VAL MG2 . . 3.200 2.101 2.000 2.320 . 0 0 "[ . 1 . 2]" 1
65 1 8 VAL HA 1 81 ALA HA . . 3.200 2.248 2.155 2.329 . 0 0 "[ . 1 . 2]" 1
66 1 8 VAL HA 1 81 ALA MB . . 3.600 3.305 3.183 3.410 . 0 0 "[ . 1 . 2]" 1
67 1 8 VAL HA 1 9 LYS H . . 3.200 2.253 2.236 2.268 . 0 0 "[ . 1 . 2]" 1
68 1 8 VAL HB 1 9 LYS H . . 4.800 3.802 3.755 3.891 . 0 0 "[ . 1 . 2]" 1
69 1 8 VAL MG1 1 9 LYS H . . 3.800 2.021 1.926 2.112 . 0 0 "[ . 1 . 2]" 1
70 1 8 VAL MG2 1 9 LYS H . . 5.300 3.952 3.910 3.972 . 0 0 "[ . 1 . 2]" 1
71 1 8 VAL H 1 9 LYS H . . 5.400 4.437 4.403 4.459 . 0 0 "[ . 1 . 2]" 1
72 1 9 LYS H 1 9 LYS HB2 . . 4.400 3.578 3.577 3.579 . 0 0 "[ . 1 . 2]" 1
73 1 9 LYS H 1 9 LYS HB3 . . 3.600 2.712 2.712 2.713 . 0 0 "[ . 1 . 2]" 1
74 1 9 LYS H 1 9 LYS HG2 . . 3.200 2.312 2.089 2.474 . 0 0 "[ . 1 . 2]" 1
75 1 9 LYS H 1 9 LYS HE2 . . 5.800 4.811 4.284 5.439 . 0 0 "[ . 1 . 2]" 1
76 1 9 LYS H 1 9 LYS HD2 . . 5.300 4.525 4.399 4.569 . 0 0 "[ . 1 . 2]" 1
77 1 9 LYS H 1 80 THR H . . 4.600 3.721 3.645 3.781 . 0 0 "[ . 1 . 2]" 1
78 1 9 LYS H 1 80 THR HB . . 3.800 3.395 3.262 3.528 . 0 0 "[ . 1 . 2]" 1
79 1 9 LYS H 1 81 ALA HA . . 4.500 3.383 3.248 3.486 . 0 0 "[ . 1 . 2]" 1
80 1 9 LYS H 1 81 ALA H . . 6.000 5.043 4.987 5.080 . 0 0 "[ . 1 . 2]" 1
81 1 9 LYS HA 1 53 SER HB3 . . 5.200 4.003 3.487 4.908 . 0 0 "[ . 1 . 2]" 1
82 1 9 LYS HB3 1 80 THR HB . . 2.800 2.476 2.309 2.725 . 0 0 "[ . 1 . 2]" 1
83 1 9 LYS HG2 1 80 THR HB . . 3.200 2.088 2.026 2.182 . 0 0 "[ . 1 . 2]" 1
84 1 9 LYS HG3 1 79 LEU MD1 . . 3.800 2.955 2.828 3.046 . 0 0 "[ . 1 . 2]" 1
85 1 10 PRO HA 1 11 VAL H . . 3.500 2.386 2.358 2.431 . 0 0 "[ . 1 . 2]" 1
86 1 10 PRO HB2 1 11 VAL H . . 3.500 2.652 2.538 2.724 . 0 0 "[ . 1 . 2]" 1
87 1 10 PRO HG2 1 11 VAL H . . 5.200 4.451 4.364 4.505 . 0 0 "[ . 1 . 2]" 1
88 1 11 VAL H 1 11 VAL MG2 . . 3.300 2.006 1.933 2.046 . 0 0 "[ . 1 . 2]" 1
89 1 11 VAL H 1 11 VAL MG1 . . 4.300 3.026 2.994 3.046 . 0 0 "[ . 1 . 2]" 1
90 1 12 PRO HA 1 14 THR H . . 5.100 4.079 4.056 4.104 . 0 0 "[ . 1 . 2]" 1
91 1 12 PRO HB2 1 14 THR H . . 3.200 2.263 2.245 2.285 . 0 0 "[ . 1 . 2]" 1
92 1 12 PRO HG2 1 14 THR H . . 4.300 3.410 3.359 3.464 . 0 0 "[ . 1 . 2]" 1
93 1 13 PRO HA 1 14 THR H . . 4.400 3.459 3.448 3.470 . 0 0 "[ . 1 . 2]" 1
94 1 13 PRO HB2 1 14 THR H . . 4.600 3.599 3.561 3.634 . 0 0 "[ . 1 . 2]" 1
95 1 13 PRO HG2 1 14 THR H . . 3.800 2.730 2.675 2.783 . 0 0 "[ . 1 . 2]" 1
96 1 13 PRO HD2 1 14 THR H . . 3.700 2.708 2.692 2.725 . 0 0 "[ . 1 . 2]" 1
97 1 14 THR H 1 14 THR HB . . 4.000 3.000 2.514 3.583 . 0 0 "[ . 1 . 2]" 1
98 1 14 THR H 1 15 ALA H . . 3.400 2.387 2.341 2.445 . 0 0 "[ . 1 . 2]" 1
99 1 14 THR HA 1 16 THR MG . . 5.300 4.311 4.001 4.870 . 0 0 "[ . 1 . 2]" 1
100 1 12 PRO HB2 1 15 ALA H . . 4.100 3.020 2.966 3.083 . 0 0 "[ . 1 . 2]" 1
101 1 12 PRO HG2 1 15 ALA H . . 3.200 2.136 2.069 2.214 . 0 0 "[ . 1 . 2]" 1
102 1 13 PRO HD2 1 15 ALA H . . 4.800 4.523 4.474 4.604 . 0 0 "[ . 1 . 2]" 1
103 1 14 THR HA 1 15 ALA H . . 4.600 3.527 3.513 3.551 . 0 0 "[ . 1 . 2]" 1
104 1 14 THR HB 1 15 ALA H . . 3.600 2.905 2.616 3.531 . 0 0 "[ . 1 . 2]" 1
105 1 14 THR MG 1 15 ALA H . . 5.500 3.959 3.532 4.239 . 0 0 "[ . 1 . 2]" 1
106 1 15 ALA H 1 15 ALA MB . . 3.500 2.197 2.146 2.238 . 0 0 "[ . 1 . 2]" 1
107 1 15 ALA HA 1 19 GLN HB3 . . 3.900 3.607 3.449 3.862 . 0 0 "[ . 1 . 2]" 1
108 1 11 VAL HB 1 15 ALA MB . . 3.300 2.254 2.184 2.406 . 0 0 "[ . 1 . 2]" 1
109 1 14 THR HB 1 16 THR H . . 6.200 5.424 5.058 5.811 . 0 0 "[ . 1 . 2]" 1
110 1 15 ALA HA 1 16 THR H . . 3.100 2.152 2.145 2.165 . 0 0 "[ . 1 . 2]" 1
111 1 15 ALA MB 1 16 THR H . . 4.600 3.364 3.329 3.419 . 0 0 "[ . 1 . 2]" 1
112 1 15 ALA H 1 16 THR H . . 5.400 4.397 4.352 4.430 . 0 0 "[ . 1 . 2]" 1
113 1 16 THR H 1 16 THR MG . . 3.800 2.733 2.144 3.406 . 0 0 "[ . 1 . 2]" 1
114 1 16 THR H 1 17 LEU H . . 5.500 4.547 4.513 4.566 . 0 0 "[ . 1 . 2]" 1
115 1 16 THR HA 1 17 LEU H . . 4.000 2.518 2.478 2.578 . 0 0 "[ . 1 . 2]" 1
116 1 16 THR HB 1 17 LEU H . . 3.600 2.197 2.009 2.430 . 0 0 "[ . 1 . 2]" 1
117 1 16 THR MG 1 17 LEU H . . 4.600 3.339 2.465 3.751 . 0 0 "[ . 1 . 2]" 1
118 1 17 LEU H 1 17 LEU HB2 . . 3.200 2.285 2.090 2.713 . 0 0 "[ . 1 . 2]" 1
119 1 17 LEU H 1 17 LEU HB3 . . 3.800 2.804 2.337 3.094 . 0 0 "[ . 1 . 2]" 1
120 1 17 LEU H 1 17 LEU HG . . 5.200 4.259 3.996 4.484 . 0 0 "[ . 1 . 2]" 1
121 1 17 LEU H 1 17 LEU MD1 . . 5.100 4.014 3.699 4.331 . 0 0 "[ . 1 . 2]" 1
122 1 17 LEU H 1 18 GLU H . . 3.700 2.602 2.561 2.693 . 0 0 "[ . 1 . 2]" 1
123 1 17 LEU H 1 20 LEU H . . 5.600 4.764 4.709 4.854 . 0 0 "[ . 1 . 2]" 1
124 1 17 LEU HA 1 20 LEU HB2 . . 4.100 2.780 2.558 3.042 . 0 0 "[ . 1 . 2]" 1
125 1 16 THR HA 1 18 GLU H . . 5.500 4.583 4.507 4.685 . 0 0 "[ . 1 . 2]" 1
126 1 16 THR HB 1 18 GLU H . . 3.800 2.817 2.491 3.159 . 0 0 "[ . 1 . 2]" 1
127 1 16 THR H 1 18 GLU H . . 5.800 5.347 5.248 5.552 . 0 0 "[ . 1 . 2]" 1
128 1 17 LEU HA 1 18 GLU H . . 4.500 3.543 3.535 3.555 . 0 0 "[ . 1 . 2]" 1
129 1 17 LEU HB3 1 18 GLU H . . 3.600 2.589 2.471 2.750 . 0 0 "[ . 1 . 2]" 1
130 1 17 LEU MD2 1 18 GLU H . . 4.800 3.655 2.715 4.214 . 0 0 "[ . 1 . 2]" 1
131 1 18 GLU H 1 18 GLU HB2 . . 3.400 2.337 2.095 2.632 . 0 0 "[ . 1 . 2]" 1
132 1 18 GLU H 1 18 GLU HB3 . . 3.600 2.749 2.424 3.109 . 0 0 "[ . 1 . 2]" 1
133 1 18 GLU H 1 18 GLU HG3 . . 5.400 4.306 4.008 4.492 . 0 0 "[ . 1 . 2]" 1
134 1 18 GLU H 1 19 GLN H . . 3.600 2.667 2.629 2.707 . 0 0 "[ . 1 . 2]" 1
135 1 18 GLU H 1 20 LEU H . . 5.200 4.276 4.158 4.381 . 0 0 "[ . 1 . 2]" 1
136 1 18 GLU HA 1 21 THR HB . . 4.200 3.130 2.889 3.335 . 0 0 "[ . 1 . 2]" 1
137 1 16 THR HB 1 19 GLN H . . 4.700 3.382 2.799 3.864 . 0 0 "[ . 1 . 2]" 1
138 1 16 THR H 1 19 GLN H . . 4.500 3.934 3.816 4.074 . 0 0 "[ . 1 . 2]" 1
139 1 17 LEU HA 1 19 GLN H . . 5.500 4.410 4.311 4.483 . 0 0 "[ . 1 . 2]" 1
140 1 17 LEU H 1 19 GLN H . . 5.000 4.065 3.935 4.155 . 0 0 "[ . 1 . 2]" 1
141 1 18 GLU HA 1 19 GLN H . . 4.500 3.532 3.518 3.538 . 0 0 "[ . 1 . 2]" 1
142 1 18 GLU HB3 1 19 GLN H . . 3.600 2.649 2.576 2.775 . 0 0 "[ . 1 . 2]" 1
143 1 18 GLU HG2 1 19 GLN H . . 5.100 4.259 3.621 4.788 . 0 0 "[ . 1 . 2]" 1
144 1 19 GLN H 1 19 GLN HB2 . . 3.400 2.334 2.070 2.694 . 0 0 "[ . 1 . 2]" 1
145 1 19 GLN H 1 19 GLN HB3 . . 3.700 2.792 2.376 3.307 . 0 0 "[ . 1 . 2]" 1
146 1 19 GLN H 1 19 GLN HG3 . . 5.400 4.291 3.635 4.518 . 0 0 "[ . 1 . 2]" 1
147 1 19 GLN H 1 20 LEU H . . 3.600 2.673 2.618 2.723 . 0 0 "[ . 1 . 2]" 1
148 1 19 GLN H 1 21 THR H . . 5.400 4.311 4.219 4.443 . 0 0 "[ . 1 . 2]" 1
149 1 19 GLN HA 1 22 GLU HB3 . . 3.800 2.859 2.596 3.257 . 0 0 "[ . 1 . 2]" 1
150 1 15 ALA MB 1 20 LEU H . . 5.000 4.359 4.216 4.521 . 0 0 "[ . 1 . 2]" 1
151 1 16 THR HA 1 20 LEU H . . 5.800 5.119 4.967 5.252 . 0 0 "[ . 1 . 2]" 1
152 1 16 THR HB 1 20 LEU H . . 6.200 5.012 4.571 5.489 . 0 0 "[ . 1 . 2]" 1
153 1 17 LEU HA 1 20 LEU H . . 4.600 3.583 3.466 3.692 . 0 0 "[ . 1 . 2]" 1
154 1 18 GLU HA 1 20 LEU H . . 5.600 4.650 4.477 4.784 . 0 0 "[ . 1 . 2]" 1
155 1 19 GLN HA 1 20 LEU H . . 4.500 3.552 3.536 3.561 . 0 0 "[ . 1 . 2]" 1
156 1 19 GLN HB3 1 20 LEU H . . 3.500 2.537 2.368 2.842 . 0 0 "[ . 1 . 2]" 1
157 1 19 GLN HG2 1 20 LEU H . . 5.100 4.280 3.521 5.024 . 0 0 "[ . 1 . 2]" 1
158 1 20 LEU H 1 20 LEU HB2 . . 3.100 2.075 2.041 2.153 . 0 0 "[ . 1 . 2]" 1
159 1 20 LEU H 1 20 LEU HG . . 4.800 3.388 2.997 3.879 . 0 0 "[ . 1 . 2]" 1
160 1 20 LEU H 1 20 LEU MD1 . . 5.800 3.812 3.454 4.113 . 0 0 "[ . 1 . 2]" 1
161 1 20 LEU H 1 20 LEU MD2 . . 5.600 4.155 4.007 4.292 . 0 0 "[ . 1 . 2]" 1
162 1 20 LEU H 1 21 THR H . . 3.800 2.822 2.735 2.883 . 0 0 "[ . 1 . 2]" 1
163 1 20 LEU H 1 22 GLU H . . 5.300 4.197 4.082 4.328 . 0 0 "[ . 1 . 2]" 1
164 1 11 VAL HB 1 20 LEU HG . . 4.400 4.290 3.963 4.396 . 0 0 "[ . 1 . 2]" 1
165 1 11 VAL MG2 1 20 LEU MD1 . . 3.500 2.320 2.105 2.542 . 0 0 "[ . 1 . 2]" 1
166 1 15 ALA MB 1 20 LEU HA . . 5.000 4.477 4.121 4.628 . 0 0 "[ . 1 . 2]" 1
167 1 20 LEU HA 1 23 PHE HB2 . . 3.900 3.096 2.946 3.316 . 0 0 "[ . 1 . 2]" 1
168 1 17 LEU HA 1 21 THR H . . 4.800 3.924 3.771 4.019 . 0 0 "[ . 1 . 2]" 1
169 1 17 LEU HG 1 21 THR H . . 5.600 4.845 4.080 5.542 . 0 0 "[ . 1 . 2]" 1
170 1 18 GLU HA 1 21 THR H . . 4.800 3.815 3.707 3.933 . 0 0 "[ . 1 . 2]" 1
171 1 18 GLU H 1 21 THR H . . 5.800 4.896 4.839 4.980 . 0 0 "[ . 1 . 2]" 1
172 1 19 GLN HA 1 21 THR H . . 5.800 4.733 4.636 4.911 . 0 0 "[ . 1 . 2]" 1
173 1 20 LEU HA 1 21 THR H . . 4.500 3.562 3.557 3.568 . 0 0 "[ . 1 . 2]" 1
174 1 20 LEU HB3 1 21 THR H . . 3.400 2.744 2.435 2.926 . 0 0 "[ . 1 . 2]" 1
175 1 20 LEU MD1 1 21 THR H . . 5.600 4.416 4.287 4.502 . 0 0 "[ . 1 . 2]" 1
176 1 20 LEU MD2 1 21 THR H . . 5.400 4.305 3.911 4.513 . 0 0 "[ . 1 . 2]" 1
177 1 21 THR H 1 21 THR HB . . 3.700 2.674 2.548 2.801 . 0 0 "[ . 1 . 2]" 1
178 1 21 THR H 1 24 PHE H . . 5.800 4.791 4.750 4.862 . 0 0 "[ . 1 . 2]" 1
179 1 17 LEU MD2 1 21 THR HG1 . . 3.300 2.513 2.004 3.110 . 0 0 "[ . 1 . 2]" 1
180 1 18 GLU HA 1 22 GLU H . . 4.800 3.950 3.825 4.019 . 0 0 "[ . 1 . 2]" 1
181 1 18 GLU HG3 1 22 GLU H . . 5.500 4.906 4.169 5.493 . 0 0 "[ . 1 . 2]" 1
182 1 19 GLN HA 1 22 GLU H . . 4.800 3.646 3.542 3.758 . 0 0 "[ . 1 . 2]" 1
183 1 19 GLN H 1 22 GLU H . . 5.600 4.705 4.654 4.795 . 0 0 "[ . 1 . 2]" 1
184 1 20 LEU HA 1 22 GLU H . . 5.800 4.579 4.469 4.753 . 0 0 "[ . 1 . 2]" 1
185 1 21 THR HA 1 22 GLU H . . 4.500 3.549 3.539 3.563 . 0 0 "[ . 1 . 2]" 1
186 1 21 THR HB 1 22 GLU H . . 3.300 2.516 2.374 2.602 . 0 0 "[ . 1 . 2]" 1
187 1 21 THR MG 1 22 GLU H . . 4.600 3.569 3.315 3.804 . 0 0 "[ . 1 . 2]" 1
188 1 21 THR H 1 22 GLU H . . 3.800 2.759 2.693 2.836 . 0 0 "[ . 1 . 2]" 1
189 1 22 GLU H 1 22 GLU HB2 . . 3.600 2.396 2.151 2.557 . 0 0 "[ . 1 . 2]" 1
190 1 22 GLU H 1 22 GLU HB3 . . 3.400 2.666 2.492 2.983 . 0 0 "[ . 1 . 2]" 1
191 1 22 GLU H 1 22 GLU HG3 . . 5.500 4.367 4.068 4.531 . 0 0 "[ . 1 . 2]" 1
192 1 22 GLU H 1 23 PHE H . . 3.800 2.904 2.822 2.959 . 0 0 "[ . 1 . 2]" 1
193 1 22 GLU H 1 25 SER H . . 5.800 4.926 4.873 4.987 . 0 0 "[ . 1 . 2]" 1
194 1 18 GLU HG2 1 22 GLU HB2 . . 4.800 4.029 3.398 4.708 . 0 0 "[ . 1 . 2]" 1
195 1 22 GLU HA 1 25 SER HB2 . . 4.200 3.361 3.013 4.125 . 0 0 "[ . 1 . 2]" 1
196 1 19 GLN HA 1 23 PHE H . . 4.800 3.992 3.835 4.068 . 0 0 "[ . 1 . 2]" 1
197 1 19 GLN HG3 1 23 PHE H . . 5.700 4.726 4.094 5.679 . 0 0 "[ . 1 . 2]" 1
198 1 20 LEU HA 1 23 PHE H . . 4.800 3.844 3.761 3.949 . 0 0 "[ . 1 . 2]" 1
199 1 20 LEU H 1 23 PHE H . . 5.800 4.931 4.856 4.997 . 0 0 "[ . 1 . 2]" 1
200 1 21 THR HA 1 23 PHE H . . 5.800 4.769 4.555 4.856 . 0 0 "[ . 1 . 2]" 1
201 1 21 THR H 1 23 PHE H . . 5.500 4.525 4.390 4.588 . 0 0 "[ . 1 . 2]" 1
202 1 22 GLU HA 1 23 PHE H . . 4.500 3.566 3.557 3.569 . 0 0 "[ . 1 . 2]" 1
203 1 22 GLU HB3 1 23 PHE H . . 3.400 2.266 2.202 2.428 . 0 0 "[ . 1 . 2]" 1
204 1 22 GLU HG2 1 23 PHE H . . 4.200 3.757 3.206 4.185 . 0 0 "[ . 1 . 2]" 1
205 1 23 PHE H 1 23 PHE HB2 . . 3.200 2.164 2.084 2.258 . 0 0 "[ . 1 . 2]" 1
206 1 23 PHE H 1 24 PHE H . . 3.800 2.761 2.655 2.833 . 0 0 "[ . 1 . 2]" 1
207 1 23 PHE H 1 26 LYS H . . 5.600 4.805 4.711 4.883 . 0 0 "[ . 1 . 2]" 1
208 1 23 PHE HA 1 26 LYS HB3 . . 3.400 2.998 2.512 3.389 . 0 0 "[ . 1 . 2]" 1
209 1 23 PHE HB3 1 74 TYR HE1 . . 4.500 4.251 3.939 4.450 . 0 0 "[ . 1 . 2]" 1
210 1 20 LEU HA 1 24 PHE H . . 5.200 4.168 4.060 4.235 . 0 0 "[ . 1 . 2]" 1
211 1 20 LEU MD2 1 24 PHE H . . 5.200 4.375 3.825 4.769 . 0 0 "[ . 1 . 2]" 1
212 1 21 THR HA 1 24 PHE H . . 4.600 3.565 3.440 3.688 . 0 0 "[ . 1 . 2]" 1
213 1 22 GLU HA 1 24 PHE H . . 5.500 4.505 4.400 4.581 . 0 0 "[ . 1 . 2]" 1
214 1 22 GLU H 1 24 PHE H . . 5.200 4.159 4.073 4.249 . 0 0 "[ . 1 . 2]" 1
215 1 23 PHE HA 1 24 PHE H . . 4.500 3.539 3.524 3.547 . 0 0 "[ . 1 . 2]" 1
216 1 23 PHE HB2 1 24 PHE H . . 3.800 2.871 2.711 3.041 . 0 0 "[ . 1 . 2]" 1
217 1 24 PHE H 1 24 PHE HB2 . . 3.100 2.114 2.067 2.190 . 0 0 "[ . 1 . 2]" 1
218 1 24 PHE H 1 24 PHE HB3 . . 4.200 3.409 3.282 3.498 . 0 0 "[ . 1 . 2]" 1
219 1 24 PHE H 1 25 SER H . . 3.800 2.902 2.849 2.967 . 0 0 "[ . 1 . 2]" 1
220 1 24 PHE H 1 26 LYS H . . 5.000 4.031 3.960 4.104 . 0 0 "[ . 1 . 2]" 1
221 1 24 PHE HB3 1 30 VAL MG2 . . 5.200 2.870 2.374 3.364 . 0 0 "[ . 1 . 2]" 1
222 1 24 PHE HE1 1 56 VAL HB . . 5.200 4.670 3.715 5.180 . 0 0 "[ . 1 . 2]" 1
223 1 21 THR HA 1 25 SER H . . 5.000 4.037 3.889 4.140 . 0 0 "[ . 1 . 2]" 1
224 1 21 THR MG 1 25 SER H . . 5.100 3.818 3.625 4.020 . 0 0 "[ . 1 . 2]" 1
225 1 22 GLU HA 1 25 SER H . . 4.800 3.806 3.698 3.964 . 0 0 "[ . 1 . 2]" 1
226 1 23 PHE HA 1 25 SER H . . 5.800 4.736 4.641 4.908 . 0 0 "[ . 1 . 2]" 1
227 1 23 PHE H 1 25 SER H . . 5.600 4.558 4.486 4.672 . 0 0 "[ . 1 . 2]" 1
228 1 24 PHE HA 1 25 SER H . . 4.500 3.566 3.562 3.570 . 0 0 "[ . 1 . 2]" 1
229 1 24 PHE HB2 1 25 SER H . . 3.900 2.779 2.592 2.980 . 0 0 "[ . 1 . 2]" 1
230 1 24 PHE HB3 1 25 SER H . . 3.400 2.746 2.463 2.959 . 0 0 "[ . 1 . 2]" 1
231 1 25 SER H 1 25 SER HB2 . . 3.200 2.260 2.071 2.806 . 0 0 "[ . 1 . 2]" 1
232 1 25 SER H 1 26 LYS H . . 3.800 2.705 2.642 2.744 . 0 0 "[ . 1 . 2]" 1
233 1 25 SER H 1 27 HIS H . . 5.200 4.242 4.187 4.295 . 0 0 "[ . 1 . 2]" 1
234 1 25 SER HA 1 29 THR HA . . 4.800 4.141 4.035 4.274 . 0 0 "[ . 1 . 2]" 1
235 1 22 GLU HA 1 26 LYS H . . 5.000 4.364 4.052 4.519 . 0 0 "[ . 1 . 2]" 1
236 1 23 PHE HA 1 26 LYS H . . 4.800 3.470 3.401 3.577 . 0 0 "[ . 1 . 2]" 1
237 1 24 PHE HA 1 26 LYS H . . 5.200 4.292 4.152 4.394 . 0 0 "[ . 1 . 2]" 1
238 1 25 SER HA 1 26 LYS H . . 4.500 3.511 3.493 3.523 . 0 0 "[ . 1 . 2]" 1
239 1 25 SER HB2 1 26 LYS H . . 4.000 3.207 2.687 3.907 . 0 0 "[ . 1 . 2]" 1
240 1 25 SER HB3 1 26 LYS H . . 4.200 3.236 2.691 3.955 . 0 0 "[ . 1 . 2]" 1
241 1 26 LYS H 1 26 LYS HB2 . . 3.600 2.246 2.084 2.611 . 0 0 "[ . 1 . 2]" 1
242 1 26 LYS H 1 26 LYS HB3 . . 3.500 2.855 2.433 3.121 . 0 0 "[ . 1 . 2]" 1
243 1 26 LYS H 1 26 LYS HD2 . . 5.600 4.916 4.675 5.406 . 0 0 "[ . 1 . 2]" 1
244 1 26 LYS H 1 26 LYS HE2 . . 5.600 4.987 4.423 5.590 . 0 0 "[ . 1 . 2]" 1
245 1 26 LYS H 1 27 HIS H . . 3.800 2.673 2.623 2.723 . 0 0 "[ . 1 . 2]" 1
246 1 26 LYS HD2 1 74 TYR HE2 . . 4.800 4.574 4.093 4.766 . 0 0 "[ . 1 . 2]" 1
247 1 23 PHE HA 1 27 HIS H . . 5.200 4.500 4.281 4.658 . 0 0 "[ . 1 . 2]" 1
248 1 24 PHE HA 1 27 HIS H . . 4.500 3.567 3.443 3.721 . 0 0 "[ . 1 . 2]" 1
249 1 24 PHE H 1 27 HIS H . . 5.600 4.912 4.783 4.991 . 0 0 "[ . 1 . 2]" 1
250 1 25 SER HA 1 27 HIS H . . 5.000 4.139 4.077 4.204 . 0 0 "[ . 1 . 2]" 1
251 1 26 LYS HA 1 27 HIS H . . 4.400 3.515 3.506 3.519 . 0 0 "[ . 1 . 2]" 1
252 1 26 LYS HB3 1 27 HIS H . . 3.900 2.777 2.710 2.881 . 0 0 "[ . 1 . 2]" 1
253 1 26 LYS HG2 1 27 HIS H . . 5.000 4.514 4.103 4.869 . 0 0 "[ . 1 . 2]" 1
254 1 26 LYS HD2 1 27 HIS H . . 4.800 4.620 4.119 4.793 . 0 0 "[ . 1 . 2]" 1
255 1 27 HIS H 1 27 HIS HB2 . . 4.300 3.093 2.915 3.336 . 0 0 "[ . 1 . 2]" 1
256 1 27 HIS H 1 27 HIS HB3 . . 3.800 3.033 2.788 3.202 . 0 0 "[ . 1 . 2]" 1
257 1 27 HIS H 1 28 GLY H . . 4.800 3.991 3.967 4.039 . 0 0 "[ . 1 . 2]" 1
258 1 23 PHE HB3 1 27 HIS HB3 . . 5.800 5.593 5.395 5.785 . 0 0 "[ . 1 . 2]" 1
259 1 27 HIS HB3 1 74 TYR HE1 . . 3.600 2.207 2.027 2.840 . 0 0 "[ . 1 . 2]" 1
260 1 25 SER HA 1 28 GLY H . . 5.800 5.430 5.320 5.580 . 0 0 "[ . 1 . 2]" 1
261 1 26 LYS HA 1 28 GLY H . . 6.400 5.919 5.838 5.990 . 0 0 "[ . 1 . 2]" 1
262 1 27 HIS HA 1 28 GLY H . . 3.200 2.150 2.145 2.153 . 0 0 "[ . 1 . 2]" 1
263 1 27 HIS HB2 1 28 GLY H . . 5.200 4.504 4.344 4.576 . 0 0 "[ . 1 . 2]" 1
264 1 28 GLY HA2 1 67 PHE HE2 . . 3.400 3.205 2.925 3.354 . 0 0 "[ . 1 . 2]" 1
265 1 28 GLY HA2 1 29 THR H . . 3.200 2.193 2.164 2.212 . 0 0 "[ . 1 . 2]" 1
266 1 28 GLY HA3 1 29 THR H . . 4.000 3.045 3.008 3.113 . 0 0 "[ . 1 . 2]" 1
267 1 28 GLY H 1 29 THR H . . 4.800 4.046 3.952 4.101 . 0 0 "[ . 1 . 2]" 1
268 1 29 THR H 1 29 THR HB . . 3.600 2.851 2.609 3.183 . 0 0 "[ . 1 . 2]" 1
269 1 29 THR H 1 63 GLU HG2 . . 5.200 2.555 2.006 3.107 . 0 0 "[ . 1 . 2]" 1
270 1 24 PHE HB3 1 30 VAL H . . 6.000 4.592 4.304 5.086 . 0 0 "[ . 1 . 2]" 1
271 1 29 THR HA 1 30 VAL H . . 3.100 2.144 2.142 2.147 . 0 0 "[ . 1 . 2]" 1
272 1 29 THR HB 1 30 VAL H . . 5.200 4.133 3.833 4.313 . 0 0 "[ . 1 . 2]" 1
273 1 29 THR MG 1 30 VAL H . . 4.200 2.969 2.786 3.173 . 0 0 "[ . 1 . 2]" 1
274 1 29 THR H 1 30 VAL H . . 5.200 4.277 4.230 4.319 . 0 0 "[ . 1 . 2]" 1
275 1 30 VAL H 1 30 VAL MG1 . . 4.000 2.916 2.799 3.102 . 0 0 "[ . 1 . 2]" 1
276 1 30 VAL H 1 30 VAL MG2 . . 3.000 2.093 1.971 2.165 . 0 0 "[ . 1 . 2]" 1
277 1 30 VAL HA 1 58 PHE HA . . 3.200 2.290 2.159 2.450 . 0 0 "[ . 1 . 2]" 1
278 1 30 VAL HA 1 31 GLN H . . 3.200 2.242 2.207 2.265 . 0 0 "[ . 1 . 2]" 1
279 1 30 VAL HB 1 31 GLN H . . 3.800 2.827 2.748 2.964 . 0 0 "[ . 1 . 2]" 1
280 1 30 VAL MG1 1 31 GLN H . . 4.800 3.782 3.605 3.878 . 0 0 "[ . 1 . 2]" 1
281 1 30 VAL MG2 1 31 GLN H . . 5.000 3.768 3.626 3.955 . 0 0 "[ . 1 . 2]" 1
282 1 30 VAL H 1 31 GLN H . . 5.400 4.481 4.452 4.499 . 0 0 "[ . 1 . 2]" 1
283 1 31 GLN H 1 31 GLN HB2 . . 3.300 2.336 2.192 2.464 . 0 0 "[ . 1 . 2]" 1
284 1 31 GLN H 1 31 GLN HB3 . . 3.800 2.791 2.650 2.960 . 0 0 "[ . 1 . 2]" 1
285 1 31 GLN H 1 31 GLN HG2 . . 5.000 4.379 4.151 4.580 . 0 0 "[ . 1 . 2]" 1
286 1 31 GLN H 1 32 ALA H . . 3.800 2.668 2.579 2.755 . 0 0 "[ . 1 . 2]" 1
287 1 31 GLN H 1 57 VAL H . . 5.400 4.474 4.334 4.667 . 0 0 "[ . 1 . 2]" 1
288 1 31 GLN H 1 58 PHE H . . 5.300 4.418 4.279 4.536 . 0 0 "[ . 1 . 2]" 1
289 1 31 GLN H 1 59 ASN H . . 3.600 2.789 2.571 2.979 . 0 0 "[ . 1 . 2]" 1
290 1 31 GLN H 1 58 PHE HA . . 3.000 2.162 1.960 2.372 . 0 0 "[ . 1 . 2]" 1
291 1 31 GLN HB3 1 57 VAL HB . . 3.800 3.044 2.933 3.163 . 0 0 "[ . 1 . 2]" 1
292 1 31 GLN HB3 1 57 VAL MG1 . . 4.000 3.054 2.828 3.210 . 0 0 "[ . 1 . 2]" 1
293 1 31 GLN HA 1 59 ASN HB2 . . 3.400 2.877 2.525 3.259 . 0 0 "[ . 1 . 2]" 1
294 1 31 GLN HB2 1 59 ASN HB2 . . 3.000 2.240 2.004 2.452 . 0 0 "[ . 1 . 2]" 1
295 1 29 THR MG 1 31 GLN HA . . 5.600 4.728 4.417 5.232 . 0 0 "[ . 1 . 2]" 1
296 1 30 VAL HA 1 32 ALA H . . 5.600 4.537 4.472 4.608 . 0 0 "[ . 1 . 2]" 1
297 1 30 VAL HB 1 32 ALA H . . 4.400 3.458 3.315 3.606 . 0 0 "[ . 1 . 2]" 1
298 1 30 VAL MG2 1 32 ALA H . . 5.200 4.068 3.737 4.366 . 0 0 "[ . 1 . 2]" 1
299 1 31 GLN HA 1 32 ALA H . . 4.500 3.568 3.564 3.570 . 0 0 "[ . 1 . 2]" 1
300 1 31 GLN HB3 1 32 ALA H . . 3.200 2.233 2.139 2.326 . 0 0 "[ . 1 . 2]" 1
301 1 31 GLN HG3 1 32 ALA H . . 5.500 4.821 4.568 4.974 . 0 0 "[ . 1 . 2]" 1
302 1 32 ALA H 1 33 VAL H . . 5.400 4.381 4.370 4.391 . 0 0 "[ . 1 . 2]" 1
303 1 32 ALA H 1 57 VAL H . . 4.100 3.136 3.043 3.280 . 0 0 "[ . 1 . 2]" 1
304 1 32 ALA H 1 57 VAL HB . . 4.100 3.047 2.898 3.125 . 0 0 "[ . 1 . 2]" 1
305 1 32 ALA MB 1 57 VAL HB . . 3.800 3.360 3.281 3.502 . 0 0 "[ . 1 . 2]" 1
306 1 32 ALA HA 1 33 VAL H . . 3.400 2.417 2.388 2.472 . 0 0 "[ . 1 . 2]" 1
307 1 32 ALA MB 1 33 VAL H . . 3.800 2.383 2.244 2.479 . 0 0 "[ . 1 . 2]" 1
308 1 33 VAL H 1 33 VAL HB . . 4.200 3.344 3.272 3.388 . 0 0 "[ . 1 . 2]" 1
309 1 33 VAL H 1 33 VAL MG1 . . 3.500 2.258 2.129 2.390 . 0 0 "[ . 1 . 2]" 1
310 1 33 VAL H 1 34 TRP H . . 5.300 4.343 4.323 4.372 . 0 0 "[ . 1 . 2]" 1
311 1 33 VAL HA 1 56 VAL HA . . 3.100 2.384 2.324 2.441 . 0 0 "[ . 1 . 2]" 1
312 1 33 VAL HB 1 56 VAL MG1 . . 3.000 2.395 2.113 2.666 . 0 0 "[ . 1 . 2]" 1
313 1 33 VAL MG2 1 56 VAL MG1 . . 3.600 1.850 1.798 1.912 . 0 0 "[ . 1 . 2]" 1
314 1 30 VAL MG2 1 33 VAL HB . . 4.800 3.768 3.523 4.035 . 0 0 "[ . 1 . 2]" 1
315 1 33 VAL HA 1 34 TRP H . . 3.200 2.234 2.222 2.249 . 0 0 "[ . 1 . 2]" 1
316 1 33 VAL HB 1 34 TRP H . . 4.800 3.993 3.978 4.020 . 0 0 "[ . 1 . 2]" 1
317 1 33 VAL MG1 1 34 TRP H . . 5.000 3.779 3.676 3.866 . 0 0 "[ . 1 . 2]" 1
318 1 33 VAL MG2 1 34 TRP H . . 3.200 2.216 2.143 2.257 . 0 0 "[ . 1 . 2]" 1
319 1 34 TRP H 1 34 TRP HB2 . . 3.800 3.008 2.886 3.250 . 0 0 "[ . 1 . 2]" 1
320 1 34 TRP H 1 55 PHE H . . 4.500 3.520 3.460 3.574 . 0 0 "[ . 1 . 2]" 1
321 1 34 TRP H 1 56 VAL HA . . 4.800 3.594 3.526 3.668 . 0 0 "[ . 1 . 2]" 1
322 1 34 TRP H 1 55 PHE HB2 . . 4.400 3.566 3.439 3.716 . 0 0 "[ . 1 . 2]" 1
323 1 34 TRP HB3 1 55 PHE HB2 . . 5.200 4.398 3.880 4.937 . 0 0 "[ . 1 . 2]" 1
324 1 34 TRP HA 1 35 ARG H . . 3.400 2.473 2.435 2.503 . 0 0 "[ . 1 . 2]" 1
325 1 34 TRP HB3 1 35 ARG H . . 3.600 2.691 2.295 3.207 . 0 0 "[ . 1 . 2]" 1
326 1 34 TRP H 1 35 ARG H . . 5.400 4.375 4.367 4.380 . 0 0 "[ . 1 . 2]" 1
327 1 35 ARG H 1 35 ARG HB3 . . 4.200 3.473 3.413 3.526 . 0 0 "[ . 1 . 2]" 1
328 1 35 ARG H 1 35 ARG HD2 . . 3.000 2.923 2.805 2.996 . 0 0 "[ . 1 . 2]" 1
329 1 35 ARG H 1 35 ARG HG2 . . 4.600 2.814 2.734 3.012 . 0 0 "[ . 1 . 2]" 1
330 1 35 ARG H 1 36 ARG H . . 5.300 4.259 4.227 4.316 . 0 0 "[ . 1 . 2]" 1
331 1 35 ARG HA 1 54 VAL HA . . 4.500 3.563 3.416 3.725 . 0 0 "[ . 1 . 2]" 1
332 1 35 ARG HB3 1 54 VAL MG1 . . 2.800 2.232 2.016 2.533 . 0 0 "[ . 1 . 2]" 1
333 1 35 ARG HG3 1 54 VAL MG1 . . 3.400 2.891 2.638 3.048 . 0 0 "[ . 1 . 2]" 1
334 1 35 ARG HD2 1 54 VAL MG1 . . 3.600 2.994 2.712 3.164 . 0 0 "[ . 1 . 2]" 1
335 1 35 ARG HA 1 36 ARG H . . 3.200 2.226 2.209 2.269 . 0 0 "[ . 1 . 2]" 1
336 1 35 ARG HB2 1 36 ARG H . . 3.800 2.928 2.781 2.987 . 0 0 "[ . 1 . 2]" 1
337 1 35 ARG HD2 1 36 ARG H . . 5.600 5.506 5.450 5.542 . 0 0 "[ . 1 . 2]" 1
338 1 35 ARG HG2 1 36 ARG H . . 4.500 4.234 4.044 4.359 . 0 0 "[ . 1 . 2]" 1
339 1 36 ARG H 1 36 ARG HB3 . . 4.000 3.285 3.187 3.393 . 0 0 "[ . 1 . 2]" 1
340 1 36 ARG H 1 36 ARG HG2 . . 3.700 2.468 2.314 2.624 . 0 0 "[ . 1 . 2]" 1
341 1 36 ARG H 1 36 ARG HD3 . . 5.400 3.437 2.438 4.074 . 0 0 "[ . 1 . 2]" 1
342 1 36 ARG H 1 37 TYR H . . 5.400 4.401 4.375 4.420 . 0 0 "[ . 1 . 2]" 1
343 1 36 ARG HA 1 37 TYR H . . 3.400 2.376 2.318 2.407 . 0 0 "[ . 1 . 2]" 1
344 1 36 ARG HB2 1 37 TYR H . . 3.600 2.524 2.423 2.688 . 0 0 "[ . 1 . 2]" 1
345 1 36 ARG HG2 1 37 TYR H . . 4.200 4.054 3.855 4.199 . 0 0 "[ . 1 . 2]" 1
346 1 36 ARG HD2 1 37 TYR H . . 5.600 5.464 5.216 5.573 . 0 0 "[ . 1 . 2]" 1
347 1 37 TYR HA 1 50 THR HA . . 3.600 2.974 2.794 3.153 . 0 0 "[ . 1 . 2]" 1
348 1 37 TYR HA 1 38 PHE H . . 3.100 2.141 2.138 2.150 . 0 0 "[ . 1 . 2]" 1
349 1 37 TYR HB2 1 38 PHE H . . 4.400 3.409 3.292 3.491 . 0 0 "[ . 1 . 2]" 1
350 1 37 TYR H 1 38 PHE H . . 5.000 4.131 4.072 4.221 . 0 0 "[ . 1 . 2]" 1
351 1 38 PHE H 1 38 PHE HB2 . . 3.300 2.156 2.128 2.249 . 0 0 "[ . 1 . 2]" 1
352 1 38 PHE H 1 39 ALA H . . 5.400 4.459 4.413 4.489 . 0 0 "[ . 1 . 2]" 1
353 1 38 PHE H 1 50 THR HB . . 3.200 1.993 1.951 2.235 . 0 0 "[ . 1 . 2]" 1
354 1 38 PHE HB2 1 48 SER HB2 . . 3.800 3.469 3.075 3.791 . 0 0 "[ . 1 . 2]" 1
355 1 38 PHE HA 1 39 ALA H . . 3.100 2.141 2.139 2.143 . 0 0 "[ . 1 . 2]" 1
356 1 38 PHE HB3 1 39 ALA H . . 4.500 3.624 3.434 3.851 . 0 0 "[ . 1 . 2]" 1
357 1 39 ALA H 1 39 ALA MB . . 3.300 2.158 2.063 2.259 . 0 0 "[ . 1 . 2]" 1
358 1 39 ALA H 1 40 GLY H . . 3.400 2.407 2.325 2.461 . 0 0 "[ . 1 . 2]" 1
359 1 37 TYR HD1 1 39 ALA MB . . 5.000 3.772 3.505 3.976 . 0 0 "[ . 1 . 2]" 1
360 1 38 PHE HA 1 40 GLY H . . 4.800 3.733 3.602 3.844 . 0 0 "[ . 1 . 2]" 1
361 1 39 ALA HA 1 40 GLY H . . 4.500 3.503 3.480 3.525 . 0 0 "[ . 1 . 2]" 1
362 1 39 ALA MB 1 40 GLY H . . 3.800 2.800 2.662 2.893 . 0 0 "[ . 1 . 2]" 1
363 1 40 GLY H 1 41 LYS H . . 5.100 3.606 3.496 3.663 . 0 0 "[ . 1 . 2]" 1
364 1 38 PHE HB3 1 40 GLY HA2 . . 5.200 4.162 3.952 4.461 . 0 0 "[ . 1 . 2]" 1
365 1 40 GLY HA3 1 42 LYS HE2 . . 3.600 3.324 3.058 3.512 . 0 0 "[ . 1 . 2]" 1
366 1 40 GLY HA2 1 41 LYS H . . 3.200 2.147 2.139 2.161 . 0 0 "[ . 1 . 2]" 1
367 1 40 GLY HA3 1 41 LYS H . . 3.800 3.326 3.297 3.369 . 0 0 "[ . 1 . 2]" 1
368 1 41 LYS H 1 42 LYS H . . 3.700 2.846 2.768 2.956 . 0 0 "[ . 1 . 2]" 1
369 1 40 GLY HA3 1 42 LYS H . . 5.000 4.292 4.170 4.438 . 0 0 "[ . 1 . 2]" 1
370 1 41 LYS HA 1 42 LYS H . . 3.700 2.643 2.584 2.693 . 0 0 "[ . 1 . 2]" 1
371 1 41 LYS HB2 1 42 LYS H . . 5.400 4.541 4.324 4.644 . 0 0 "[ . 1 . 2]" 1
372 1 41 LYS HG3 1 42 LYS H . . 5.200 4.522 4.197 4.875 . 0 0 "[ . 1 . 2]" 1
373 1 41 LYS HD2 1 42 LYS H . . 5.800 5.401 4.863 5.798 . 0 0 "[ . 1 . 2]" 1
374 1 42 LYS H 1 42 LYS HD3 . . 4.100 3.162 2.509 3.647 . 0 0 "[ . 1 . 2]" 1
375 1 42 LYS H 1 42 LYS HE2 . . 4.800 3.683 3.117 4.128 . 0 0 "[ . 1 . 2]" 1
376 1 42 LYS H 1 42 LYS HG2 . . 3.500 2.472 2.221 2.757 . 0 0 "[ . 1 . 2]" 1
377 1 42 LYS H 1 43 ASP H . . 5.400 4.388 4.378 4.400 . 0 0 "[ . 1 . 2]" 1
378 1 42 LYS H 1 44 ALA H . . 5.100 4.176 4.128 4.268 . 0 0 "[ . 1 . 2]" 1
379 1 42 LYS HA 1 43 ASP H . . 3.600 2.554 2.504 2.582 . 0 0 "[ . 1 . 2]" 1
380 1 42 LYS HB2 1 43 ASP H . . 3.000 2.139 2.061 2.237 . 0 0 "[ . 1 . 2]" 1
381 1 42 LYS HG3 1 43 ASP H . . 4.600 3.691 3.489 3.933 . 0 0 "[ . 1 . 2]" 1
382 1 43 ASP H 1 43 ASP HB3 . . 4.400 3.253 2.629 3.705 . 0 0 "[ . 1 . 2]" 1
383 1 43 ASP H 1 43 ASP HB2 . . 3.400 2.506 2.323 2.734 . 0 0 "[ . 1 . 2]" 1
384 1 43 ASP H 1 44 ALA H . . 3.800 2.768 2.716 2.811 . 0 0 "[ . 1 . 2]" 1
385 1 44 ALA H 1 44 ALA MB . . 3.400 2.354 2.300 2.402 . 0 0 "[ . 1 . 2]" 1
386 1 42 LYS HG3 1 44 ALA MB . . 3.300 2.200 1.980 2.441 . 0 0 "[ . 1 . 2]" 1
387 1 46 PRO HA 1 47 GLU H . . 3.200 2.228 2.198 2.267 . 0 0 "[ . 1 . 2]" 1
388 1 46 PRO HB2 1 47 GLU H . . 5.000 4.020 3.950 4.095 . 0 0 "[ . 1 . 2]" 1
389 1 47 GLU H 1 47 GLU HB3 . . 3.400 2.681 2.389 2.991 . 0 0 "[ . 1 . 2]" 1
390 1 47 GLU H 1 47 GLU HG3 . . 5.200 4.495 4.364 4.612 . 0 0 "[ . 1 . 2]" 1
391 1 47 GLU H 1 48 SER H . . 3.300 2.262 2.187 2.378 . 0 0 "[ . 1 . 2]" 1
392 1 44 ALA MB 1 47 GLU HB2 . . 6.200 4.564 4.407 4.831 . 0 0 "[ . 1 . 2]" 1
393 1 45 PRO HG2 1 47 GLU HB2 . . 5.100 4.212 4.009 4.422 . 0 0 "[ . 1 . 2]" 1
394 1 46 PRO HA 1 48 SER H . . 4.600 3.767 3.618 3.874 . 0 0 "[ . 1 . 2]" 1
395 1 47 GLU HA 1 48 SER H . . 4.500 3.537 3.516 3.552 . 0 0 "[ . 1 . 2]" 1
396 1 47 GLU HB3 1 48 SER H . . 3.800 2.596 2.444 2.760 . 0 0 "[ . 1 . 2]" 1
397 1 47 GLU HG3 1 48 SER H . . 4.600 4.292 3.617 4.565 . 0 0 "[ . 1 . 2]" 1
398 1 48 SER H 1 48 SER HB2 . . 4.200 3.096 2.591 3.578 . 0 0 "[ . 1 . 2]" 1
399 1 48 SER H 1 49 ARG H . . 5.400 4.572 4.551 4.591 . 0 0 "[ . 1 . 2]" 1
400 1 38 PHE HB2 1 49 ARG H . . 5.500 5.321 4.948 5.476 . 0 0 "[ . 1 . 2]" 1
401 1 48 SER HA 1 49 ARG H . . 3.500 2.453 2.420 2.524 . 0 0 "[ . 1 . 2]" 1
402 1 48 SER HB2 1 49 ARG H . . 3.400 2.836 2.263 3.388 . 0 0 "[ . 1 . 2]" 1
403 1 48 SER HB3 1 49 ARG H . . 4.000 2.868 2.378 3.524 . 0 0 "[ . 1 . 2]" 1
404 1 49 ARG H 1 49 ARG HB2 . . 3.800 2.548 2.416 2.688 . 0 0 "[ . 1 . 2]" 1
405 1 49 ARG H 1 49 ARG HD3 . . 4.500 4.227 3.838 4.497 . 0 0 "[ . 1 . 2]" 1
406 1 49 ARG H 1 49 ARG HG2 . . 3.500 2.699 2.449 2.967 . 0 0 "[ . 1 . 2]" 1
407 1 49 ARG HA 1 50 THR H . . 3.200 2.141 2.139 2.149 . 0 0 "[ . 1 . 2]" 1
408 1 49 ARG HB3 1 50 THR H . . 4.400 3.522 3.396 3.657 . 0 0 "[ . 1 . 2]" 1
409 1 49 ARG HD2 1 50 THR H . . 5.400 4.856 3.679 5.374 . 0 0 "[ . 1 . 2]" 1
410 1 49 ARG H 1 50 THR H . . 5.300 4.319 4.242 4.383 . 0 0 "[ . 1 . 2]" 1
411 1 50 THR H 1 50 THR HB . . 3.200 3.181 3.163 3.197 . 0 0 "[ . 1 . 2]" 1
412 1 50 THR H 1 50 THR MG . . 3.000 1.930 1.908 1.952 . 0 0 "[ . 1 . 2]" 1
413 1 50 THR H 1 51 LYS H . . 5.000 4.148 4.131 4.170 . 0 0 "[ . 1 . 2]" 1
414 1 48 SER HB2 1 50 THR HA . . 6.000 5.348 5.096 5.720 . 0 0 "[ . 1 . 2]" 1
415 1 37 TYR HB3 1 50 THR HA . . 4.800 4.536 4.073 4.791 . 0 0 "[ . 1 . 2]" 1
416 1 37 TYR HA 1 51 LYS H . . 4.500 3.726 3.513 3.972 . 0 0 "[ . 1 . 2]" 1
417 1 50 THR HA 1 51 LYS H . . 3.200 2.163 2.159 2.168 . 0 0 "[ . 1 . 2]" 1
418 1 50 THR HB 1 51 LYS H . . 5.400 4.345 4.337 4.357 . 0 0 "[ . 1 . 2]" 1
419 1 50 THR MG 1 51 LYS H . . 5.500 4.225 4.220 4.229 . 0 0 "[ . 1 . 2]" 1
420 1 51 LYS H 1 51 LYS HG2 . . 3.900 2.191 2.111 2.286 . 0 0 "[ . 1 . 2]" 1
421 1 51 LYS H 1 51 LYS HD2 . . 3.200 2.931 2.694 3.179 . 0 0 "[ . 1 . 2]" 1
422 1 51 LYS H 1 51 LYS HE3 . . 5.400 5.042 4.899 5.236 . 0 0 "[ . 1 . 2]" 1
423 1 49 ARG HB3 1 51 LYS HE2 . . 3.200 2.731 2.266 3.189 . 0 0 "[ . 1 . 2]" 1
424 1 51 LYS HA 1 53 SER H . . 5.000 4.014 4.001 4.047 . 0 0 "[ . 1 . 2]" 1
425 1 51 LYS HB2 1 53 SER H . . 3.500 2.359 2.351 2.384 . 0 0 "[ . 1 . 2]" 1
426 1 51 LYS HG3 1 53 SER H . . 4.200 3.362 3.249 3.498 . 0 0 "[ . 1 . 2]" 1
427 1 52 PRO HA 1 53 SER H . . 4.400 3.452 3.446 3.469 . 0 0 "[ . 1 . 2]" 1
428 1 52 PRO HB2 1 53 SER H . . 4.700 3.622 3.568 3.641 . 0 0 "[ . 1 . 2]" 1
429 1 52 PRO HD2 1 53 SER H . . 3.800 2.719 2.694 2.729 . 0 0 "[ . 1 . 2]" 1
430 1 52 PRO HG2 1 53 SER H . . 3.900 2.764 2.685 2.793 . 0 0 "[ . 1 . 2]" 1
431 1 53 SER H 1 53 SER HB2 . . 3.600 2.753 2.095 3.237 . 0 0 "[ . 1 . 2]" 1
432 1 9 LYS HA 1 53 SER HA . . 4.000 3.503 3.404 3.592 . 0 0 "[ . 1 . 2]" 1
433 1 7 TYR HB3 1 53 SER HB3 . . 3.800 3.422 3.035 3.733 . 0 0 "[ . 1 . 2]" 1
434 1 51 LYS HB2 1 53 SER HB2 . . 4.500 3.636 2.832 4.273 . 0 0 "[ . 1 . 2]" 1
435 1 53 SER HB2 1 55 PHE HE2 . . 4.400 3.958 3.207 4.391 . 0 0 "[ . 1 . 2]" 1
436 1 7 TYR HA 1 54 VAL H . . 5.400 4.822 4.698 4.967 . 0 0 "[ . 1 . 2]" 1
437 1 53 SER HA 1 54 VAL H . . 3.200 2.285 2.266 2.341 . 0 0 "[ . 1 . 2]" 1
438 1 53 SER HB3 1 54 VAL H . . 4.000 2.880 2.757 3.037 . 0 0 "[ . 1 . 2]" 1
439 1 53 SER H 1 54 VAL H . . 5.500 4.641 4.638 4.646 . 0 0 "[ . 1 . 2]" 1
440 1 54 VAL H 1 54 VAL MG1 . . 4.000 2.785 2.595 2.869 . 0 0 "[ . 1 . 2]" 1
441 1 54 VAL H 1 54 VAL MG2 . . 3.200 2.067 1.942 2.151 . 0 0 "[ . 1 . 2]" 1
442 1 35 ARG HB3 1 54 VAL HA . . 3.000 2.327 2.198 2.510 . 0 0 "[ . 1 . 2]" 1
443 1 35 ARG HA 1 55 PHE H . . 4.300 3.259 3.185 3.347 . 0 0 "[ . 1 . 2]" 1
444 1 54 VAL HA 1 55 PHE H . . 3.200 2.268 2.242 2.302 . 0 0 "[ . 1 . 2]" 1
445 1 54 VAL HB 1 55 PHE H . . 3.900 2.738 2.636 2.820 . 0 0 "[ . 1 . 2]" 1
446 1 54 VAL MG1 1 55 PHE H . . 5.500 3.688 3.622 3.772 . 0 0 "[ . 1 . 2]" 1
447 1 54 VAL H 1 55 PHE H . . 5.500 4.535 4.525 4.546 . 0 0 "[ . 1 . 2]" 1
448 1 55 PHE H 1 55 PHE HB2 . . 3.700 2.684 2.669 2.705 . 0 0 "[ . 1 . 2]" 1
449 1 55 PHE H 1 56 VAL H . . 5.500 4.426 4.396 4.457 . 0 0 "[ . 1 . 2]" 1
450 1 7 TYR HA 1 56 VAL H . . 4.900 3.726 3.639 3.809 . 0 0 "[ . 1 . 2]" 1
451 1 6 VAL MG1 1 56 VAL MG2 . . 4.200 2.795 2.729 2.878 . 0 0 "[ . 1 . 2]" 1
452 1 55 PHE HA 1 56 VAL H . . 3.200 2.156 2.145 2.164 . 0 0 "[ . 1 . 2]" 1
453 1 55 PHE HB3 1 56 VAL H . . 4.200 3.283 3.228 3.380 . 0 0 "[ . 1 . 2]" 1
454 1 56 VAL H 1 56 VAL MG1 . . 4.400 2.927 2.850 2.998 . 0 0 "[ . 1 . 2]" 1
455 1 56 VAL H 1 56 VAL MG2 . . 3.400 2.032 1.964 2.118 . 0 0 "[ . 1 . 2]" 1
456 1 33 VAL HB 1 56 VAL HA . . 4.600 3.363 3.249 3.507 . 0 0 "[ . 1 . 2]" 1
457 1 54 VAL MG2 1 56 VAL MG1 . . 4.300 2.931 2.772 3.008 . 0 0 "[ . 1 . 2]" 1
458 1 33 VAL HA 1 57 VAL H . . 4.500 3.366 3.233 3.462 . 0 0 "[ . 1 . 2]" 1
459 1 56 VAL HA 1 57 VAL H . . 3.200 2.205 2.176 2.225 . 0 0 "[ . 1 . 2]" 1
460 1 56 VAL HB 1 57 VAL H . . 3.100 2.961 2.878 3.092 . 0 0 "[ . 1 . 2]" 1
461 1 56 VAL MG1 1 57 VAL H . . 5.500 3.866 3.803 3.918 . 0 0 "[ . 1 . 2]" 1
462 1 56 VAL MG2 1 57 VAL H . . 5.400 3.827 3.724 3.900 . 0 0 "[ . 1 . 2]" 1
463 1 56 VAL H 1 57 VAL H . . 5.300 4.406 4.358 4.440 . 0 0 "[ . 1 . 2]" 1
464 1 57 VAL H 1 57 VAL HB . . 4.100 2.688 2.633 2.737 . 0 0 "[ . 1 . 2]" 1
465 1 57 VAL H 1 58 PHE H . . 5.300 4.243 4.184 4.287 . 0 0 "[ . 1 . 2]" 1
466 1 55 PHE HB2 1 57 VAL MG2 . . 6.000 4.567 4.476 4.675 . 0 0 "[ . 1 . 2]" 1
467 1 4 GLN HG3 1 58 PHE H . . 4.000 3.557 3.301 3.872 . 0 0 "[ . 1 . 2]" 1
468 1 6 VAL MG2 1 58 PHE H . . 4.800 3.429 3.264 3.721 . 0 0 "[ . 1 . 2]" 1
469 1 57 VAL HA 1 58 PHE H . . 3.100 2.141 2.139 2.144 . 0 0 "[ . 1 . 2]" 1
470 1 57 VAL HB 1 58 PHE H . . 5.200 4.266 4.234 4.333 . 0 0 "[ . 1 . 2]" 1
471 1 57 VAL MG1 1 58 PHE H . . 4.500 2.767 2.578 2.963 . 0 0 "[ . 1 . 2]" 1
472 1 57 VAL MG2 1 58 PHE H . . 5.500 4.142 4.090 4.188 . 0 0 "[ . 1 . 2]" 1
473 1 58 PHE H 1 58 PHE HB2 . . 3.400 2.372 2.156 2.513 . 0 0 "[ . 1 . 2]" 1
474 1 56 VAL HB 1 58 PHE HA . . 6.200 5.357 5.297 5.439 . 0 0 "[ . 1 . 2]" 1
475 1 30 VAL HA 1 59 ASN H . . 4.300 3.030 2.736 3.322 . 0 0 "[ . 1 . 2]" 1
476 1 31 GLN HA 1 59 ASN H . . 4.600 4.118 3.935 4.309 . 0 0 "[ . 1 . 2]" 1
477 1 31 GLN HB2 1 59 ASN H . . 3.400 2.833 2.677 3.079 . 0 0 "[ . 1 . 2]" 1
478 1 31 GLN HG3 1 59 ASN HB2 . . 3.000 2.419 2.029 2.884 . 0 0 "[ . 1 . 2]" 1
479 1 58 PHE HA 1 59 ASN H . . 3.200 2.240 2.208 2.273 . 0 0 "[ . 1 . 2]" 1
480 1 58 PHE HB3 1 59 ASN H . . 4.000 2.909 2.776 3.033 . 0 0 "[ . 1 . 2]" 1
481 1 58 PHE H 1 59 ASN H . . 5.600 4.593 4.581 4.602 . 0 0 "[ . 1 . 2]" 1
482 1 59 ASN H 1 59 ASN HB2 . . 3.300 2.719 2.438 2.954 . 0 0 "[ . 1 . 2]" 1
483 1 59 ASN H 1 59 ASN HB3 . . 3.800 2.496 2.297 2.780 . 0 0 "[ . 1 . 2]" 1
484 1 57 VAL MG1 1 59 ASN HA . . 5.100 4.097 3.943 4.232 . 0 0 "[ . 1 . 2]" 1
485 1 30 VAL H 1 59 ASN H . . 5.600 5.265 5.034 5.498 . 0 0 "[ . 1 . 2]" 1
486 1 30 VAL HA 1 60 SER H . . 5.800 4.827 4.519 5.193 . 0 0 "[ . 1 . 2]" 1
487 1 58 PHE HA 1 60 SER H . . 5.100 4.224 4.110 4.338 . 0 0 "[ . 1 . 2]" 1
488 1 58 PHE HB3 1 60 SER H . . 4.200 3.243 3.079 3.376 . 0 0 "[ . 1 . 2]" 1
489 1 59 ASN HA 1 60 SER H . . 4.500 3.542 3.531 3.552 . 0 0 "[ . 1 . 2]" 1
490 1 59 ASN HB2 1 60 SER H . . 4.600 3.846 3.624 4.033 . 0 0 "[ . 1 . 2]" 1
491 1 59 ASN HB3 1 60 SER H . . 3.500 2.582 2.461 2.720 . 0 0 "[ . 1 . 2]" 1
492 1 59 ASN H 1 60 SER H . . 3.300 2.387 2.352 2.432 . 0 0 "[ . 1 . 2]" 1
493 1 60 SER H 1 60 SER HB2 . . 4.000 2.727 2.260 3.444 . 0 0 "[ . 1 . 2]" 1
494 1 60 SER H 1 60 SER HB3 . . 4.400 3.543 3.155 3.627 . 0 0 "[ . 1 . 2]" 1
495 1 60 SER HB2 1 63 GLU HB3 . . 3.400 2.683 2.028 3.091 . 0 0 "[ . 1 . 2]" 1
496 1 60 SER HA 1 61 SER H . . 3.100 2.156 2.144 2.165 . 0 0 "[ . 1 . 2]" 1
497 1 60 SER HB2 1 61 SER H . . 4.600 3.980 3.372 4.326 . 0 0 "[ . 1 . 2]" 1
498 1 60 SER HB3 1 61 SER H . . 4.400 3.366 3.207 3.832 . 0 0 "[ . 1 . 2]" 1
499 1 60 SER H 1 61 SER H . . 5.500 4.533 4.499 4.547 . 0 0 "[ . 1 . 2]" 1
500 1 61 SER H 1 61 SER HB3 . . 3.800 2.946 2.131 3.581 . 0 0 "[ . 1 . 2]" 1
501 1 61 SER H 1 62 GLU H . . 3.800 2.772 2.743 2.820 . 0 0 "[ . 1 . 2]" 1
502 1 61 SER H 1 64 ALA H . . 5.500 4.581 4.554 4.626 . 0 0 "[ . 1 . 2]" 1
503 1 61 SER HA 1 64 ALA MB . . 3.400 2.366 2.162 2.495 . 0 0 "[ . 1 . 2]" 1
504 1 61 SER HB2 1 65 GLU HG3 . . 5.400 4.911 4.236 5.308 . 0 0 "[ . 1 . 2]" 1
505 1 60 SER HA 1 62 GLU H . . 5.200 4.212 4.158 4.277 . 0 0 "[ . 1 . 2]" 1
506 1 60 SER HB2 1 62 GLU H . . 4.800 4.168 3.287 4.790 . 0 0 "[ . 1 . 2]" 1
507 1 61 SER HA 1 62 GLU H . . 4.500 3.559 3.557 3.564 . 0 0 "[ . 1 . 2]" 1
508 1 61 SER HB2 1 62 GLU H . . 4.200 3.079 2.373 3.997 . 0 0 "[ . 1 . 2]" 1
509 1 62 GLU H 1 62 GLU HB2 . . 3.200 2.171 2.062 2.472 . 0 0 "[ . 1 . 2]" 1
510 1 62 GLU H 1 62 GLU HG3 . . 5.100 4.010 3.360 4.457 . 0 0 "[ . 1 . 2]" 1
511 1 62 GLU H 1 63 GLU H . . 4.000 2.921 2.884 2.966 . 0 0 "[ . 1 . 2]" 1
512 1 62 GLU H 1 65 GLU H . . 5.800 4.892 4.831 4.950 . 0 0 "[ . 1 . 2]" 1
513 1 62 GLU HA 1 65 GLU HB2 . . 4.500 3.318 3.076 3.571 . 0 0 "[ . 1 . 2]" 1
514 1 60 SER HB2 1 63 GLU H . . 3.400 2.702 2.271 3.265 . 0 0 "[ . 1 . 2]" 1
515 1 60 SER H 1 63 GLU H . . 5.800 5.124 5.043 5.212 . 0 0 "[ . 1 . 2]" 1
516 1 61 SER HA 1 63 GLU H . . 5.800 4.902 4.843 4.998 . 0 0 "[ . 1 . 2]" 1
517 1 61 SER H 1 63 GLU H . . 5.500 4.486 4.407 4.575 . 0 0 "[ . 1 . 2]" 1
518 1 62 GLU HA 1 63 GLU H . . 4.500 3.569 3.568 3.571 . 0 0 "[ . 1 . 2]" 1
519 1 62 GLU HB3 1 63 GLU H . . 3.200 2.302 2.184 2.575 . 0 0 "[ . 1 . 2]" 1
520 1 62 GLU HG2 1 63 GLU H . . 5.100 4.295 3.397 4.799 . 0 0 "[ . 1 . 2]" 1
521 1 63 GLU H 1 63 GLU HB2 . . 3.300 2.164 2.073 2.444 . 0 0 "[ . 1 . 2]" 1
522 1 63 GLU H 1 63 GLU HG3 . . 5.200 4.382 4.250 4.537 . 0 0 "[ . 1 . 2]" 1
523 1 63 GLU H 1 64 ALA H . . 3.700 2.684 2.634 2.747 . 0 0 "[ . 1 . 2]" 1
524 1 63 GLU HA 1 66 ALA MB . . 3.800 2.400 2.223 2.545 . 0 0 "[ . 1 . 2]" 1
525 1 58 PHE HB3 1 64 ALA H . . 4.800 3.666 3.444 4.014 . 0 0 "[ . 1 . 2]" 1
526 1 60 SER HB2 1 64 ALA H . . 4.400 3.552 3.283 3.971 . 0 0 "[ . 1 . 2]" 1
527 1 61 SER HA 1 64 ALA H . . 4.600 3.573 3.474 3.665 . 0 0 "[ . 1 . 2]" 1
528 1 62 GLU HA 1 64 ALA H . . 5.200 4.294 4.114 4.394 . 0 0 "[ . 1 . 2]" 1
529 1 62 GLU H 1 64 ALA H . . 5.000 3.965 3.880 4.019 . 0 0 "[ . 1 . 2]" 1
530 1 63 GLU HA 1 64 ALA H . . 4.500 3.505 3.468 3.518 . 0 0 "[ . 1 . 2]" 1
531 1 63 GLU HB3 1 64 ALA H . . 3.800 2.883 2.701 3.058 . 0 0 "[ . 1 . 2]" 1
532 1 63 GLU HG2 1 64 ALA H . . 5.500 5.020 4.436 5.230 . 0 0 "[ . 1 . 2]" 1
533 1 64 ALA H 1 64 ALA MB . . 3.600 2.206 2.051 2.235 . 0 0 "[ . 1 . 2]" 1
534 1 64 ALA H 1 67 PHE H . . 5.800 4.845 4.718 4.920 . 0 0 "[ . 1 . 2]" 1
535 1 64 ALA HA 1 67 PHE HB2 . . 4.000 3.261 3.152 3.378 . 0 0 "[ . 1 . 2]" 1
536 1 4 GLN HB2 1 64 ALA MB . . 5.100 3.811 3.406 4.457 . 0 0 "[ . 1 . 2]" 1
537 1 61 SER HA 1 65 GLU H . . 5.200 4.093 4.000 4.190 . 0 0 "[ . 1 . 2]" 1
538 1 61 SER HB2 1 65 GLU H . . 5.800 5.289 4.988 5.780 . 0 0 "[ . 1 . 2]" 1
539 1 62 GLU HA 1 65 GLU H . . 4.600 3.737 3.627 3.868 . 0 0 "[ . 1 . 2]" 1
540 1 63 GLU HA 1 65 GLU H . . 5.500 4.613 4.525 4.757 . 0 0 "[ . 1 . 2]" 1
541 1 63 GLU H 1 65 GLU H . . 5.500 4.533 4.459 4.643 . 0 0 "[ . 1 . 2]" 1
542 1 64 ALA HA 1 65 GLU H . . 4.500 3.564 3.558 3.571 . 0 0 "[ . 1 . 2]" 1
543 1 64 ALA MB 1 65 GLU H . . 4.000 2.381 2.243 2.575 . 0 0 "[ . 1 . 2]" 1
544 1 64 ALA H 1 65 GLU H . . 3.800 2.793 2.691 2.887 . 0 0 "[ . 1 . 2]" 1
545 1 65 GLU H 1 65 GLU HB2 . . 3.200 2.317 2.088 2.625 . 0 0 "[ . 1 . 2]" 1
546 1 65 GLU H 1 65 GLU HG2 . . 3.800 2.965 2.215 3.616 . 0 0 "[ . 1 . 2]" 1
547 1 65 GLU H 1 66 ALA H . . 3.800 2.629 2.560 2.674 . 0 0 "[ . 1 . 2]" 1
548 1 65 GLU H 1 68 GLN H . . 5.800 4.702 4.656 4.731 . 0 0 "[ . 1 . 2]" 1
549 1 62 GLU HA 1 66 ALA H . . 5.200 4.230 4.177 4.281 . 0 0 "[ . 1 . 2]" 1
550 1 62 GLU HG2 1 66 ALA H . . 5.700 5.163 4.407 5.672 . 0 0 "[ . 1 . 2]" 1
551 1 63 GLU HA 1 66 ALA H . . 4.500 3.469 3.406 3.519 . 0 0 "[ . 1 . 2]" 1
552 1 64 ALA HA 1 66 ALA H . . 5.200 4.541 4.473 4.651 . 0 0 "[ . 1 . 2]" 1
553 1 64 ALA H 1 66 ALA H . . 5.100 4.049 3.970 4.113 . 0 0 "[ . 1 . 2]" 1
554 1 65 GLU HA 1 66 ALA H . . 4.500 3.531 3.524 3.540 . 0 0 "[ . 1 . 2]" 1
555 1 65 GLU HB2 1 66 ALA H . . 3.800 2.752 2.597 3.046 . 0 0 "[ . 1 . 2]" 1
556 1 66 ALA H 1 66 ALA MB . . 3.200 2.146 2.026 2.231 . 0 0 "[ . 1 . 2]" 1
557 1 66 ALA HA 1 69 LYS HB3 . . 4.400 3.499 3.280 3.654 . 0 0 "[ . 1 . 2]" 1
558 1 66 ALA H 1 69 LYS H . . 5.800 4.871 4.797 4.954 . 0 0 "[ . 1 . 2]" 1
559 1 63 GLU HA 1 67 PHE H . . 5.000 3.900 3.744 3.996 . 0 0 "[ . 1 . 2]" 1
560 1 63 GLU HG3 1 67 PHE H . . 5.400 4.318 3.836 4.713 . 0 0 "[ . 1 . 2]" 1
561 1 64 ALA HA 1 67 PHE H . . 4.800 3.857 3.801 3.903 . 0 0 "[ . 1 . 2]" 1
562 1 65 GLU HA 1 67 PHE H . . 5.500 4.591 4.466 4.730 . 0 0 "[ . 1 . 2]" 1
563 1 65 GLU H 1 67 PHE H . . 5.200 4.391 4.233 4.493 . 0 0 "[ . 1 . 2]" 1
564 1 66 ALA HA 1 67 PHE H . . 4.500 3.561 3.552 3.567 . 0 0 "[ . 1 . 2]" 1
565 1 66 ALA MB 1 67 PHE H . . 3.800 2.415 2.269 2.547 . 0 0 "[ . 1 . 2]" 1
566 1 66 ALA H 1 67 PHE H . . 3.800 2.827 2.729 2.872 . 0 0 "[ . 1 . 2]" 1
567 1 67 PHE H 1 67 PHE HB2 . . 3.200 2.170 2.104 2.227 . 0 0 "[ . 1 . 2]" 1
568 1 67 PHE H 1 67 PHE HB3 . . 4.200 3.477 3.404 3.521 . 0 0 "[ . 1 . 2]" 1
569 1 67 PHE H 1 68 GLN H . . 3.800 2.602 2.526 2.669 . 0 0 "[ . 1 . 2]" 1
570 1 67 PHE H 1 69 LYS H . . 5.200 4.312 4.235 4.418 . 0 0 "[ . 1 . 2]" 1
571 1 63 GLU HG3 1 67 PHE HD2 . . 3.400 2.561 2.016 3.061 . 0 0 "[ . 1 . 2]" 1
572 1 64 ALA HA 1 68 GLN H . . 5.200 4.166 4.060 4.268 . 0 0 "[ . 1 . 2]" 1
573 1 65 GLU HA 1 68 GLN H . . 4.500 3.431 3.308 3.535 . 0 0 "[ . 1 . 2]" 1
574 1 66 ALA HA 1 68 GLN H . . 5.500 4.519 4.454 4.626 . 0 0 "[ . 1 . 2]" 1
575 1 66 ALA H 1 68 GLN H . . 5.100 4.064 4.021 4.140 . 0 0 "[ . 1 . 2]" 1
576 1 67 PHE HA 1 68 GLN H . . 4.500 3.526 3.517 3.536 . 0 0 "[ . 1 . 2]" 1
577 1 67 PHE HB2 1 68 GLN H . . 4.000 2.895 2.783 3.007 . 0 0 "[ . 1 . 2]" 1
578 1 67 PHE HB3 1 68 GLN H . . 4.200 3.319 3.163 3.454 . 0 0 "[ . 1 . 2]" 1
579 1 68 GLN H 1 68 GLN HB2 . . 3.200 2.084 2.061 2.140 . 0 0 "[ . 1 . 2]" 1
580 1 68 GLN H 1 68 GLN HG3 . . 4.200 3.562 3.207 3.999 . 0 0 "[ . 1 . 2]" 1
581 1 68 GLN HG2 1 83 MET HG3 . . 3.200 2.779 2.139 3.169 . 0 0 "[ . 1 . 2]" 1
582 1 6 VAL MG2 1 68 GLN HG3 . . 4.600 2.035 1.906 2.311 . 0 0 "[ . 1 . 2]" 1
583 1 65 GLU HA 1 69 LYS H . . 5.200 4.003 3.874 4.086 . 0 0 "[ . 1 . 2]" 1
584 1 65 GLU HB3 1 69 LYS H . . 5.800 4.879 4.758 4.973 . 0 0 "[ . 1 . 2]" 1
585 1 66 ALA HA 1 69 LYS H . . 4.800 3.826 3.706 3.984 . 0 0 "[ . 1 . 2]" 1
586 1 67 PHE HA 1 69 LYS H . . 5.400 4.436 4.377 4.581 . 0 0 "[ . 1 . 2]" 1
587 1 68 GLN HA 1 69 LYS H . . 4.500 3.549 3.540 3.562 . 0 0 "[ . 1 . 2]" 1
588 1 68 GLN HB2 1 69 LYS H . . 4.000 3.100 2.866 3.435 . 0 0 "[ . 1 . 2]" 1
589 1 68 GLN H 1 69 LYS H . . 3.700 2.788 2.738 2.877 . 0 0 "[ . 1 . 2]" 1
590 1 69 LYS H 1 69 LYS HB2 . . 3.500 2.442 2.360 2.598 . 0 0 "[ . 1 . 2]" 1
591 1 69 LYS H 1 69 LYS HB3 . . 3.600 2.603 2.448 2.692 . 0 0 "[ . 1 . 2]" 1
592 1 69 LYS H 1 69 LYS HD3 . . 4.600 4.553 4.498 4.589 . 0 0 "[ . 1 . 2]" 1
593 1 69 LYS H 1 69 LYS HE2 . . 5.800 5.397 4.817 5.788 . 0 0 "[ . 1 . 2]" 1
594 1 69 LYS H 1 69 LYS HG3 . . 5.400 4.404 4.332 4.497 . 0 0 "[ . 1 . 2]" 1
595 1 69 LYS H 1 70 ALA H . . 4.000 3.028 3.016 3.043 . 0 0 "[ . 1 . 2]" 1
596 1 66 ALA HA 1 70 ALA H . . 5.500 4.424 4.266 4.584 . 0 0 "[ . 1 . 2]" 1
597 1 67 PHE HA 1 70 ALA H . . 5.000 3.921 3.877 3.975 . 0 0 "[ . 1 . 2]" 1
598 1 67 PHE H 1 70 ALA H . . 6.200 5.320 5.247 5.367 . 0 0 "[ . 1 . 2]" 1
599 1 68 GLN HA 1 70 ALA H . . 6.100 5.234 5.181 5.274 . 0 0 "[ . 1 . 2]" 1
600 1 68 GLN H 1 70 ALA H . . 5.800 4.824 4.785 4.847 . 0 0 "[ . 1 . 2]" 1
601 1 69 LYS HA 1 70 ALA H . . 4.500 3.567 3.566 3.568 . 0 0 "[ . 1 . 2]" 1
602 1 69 LYS HB3 1 70 ALA H . . 3.200 1.996 1.958 2.089 . 0 0 "[ . 1 . 2]" 1
603 1 69 LYS HG2 1 70 ALA H . . 4.200 3.226 2.879 3.456 . 0 0 "[ . 1 . 2]" 1
604 1 69 LYS HE2 1 70 ALA H . . 4.000 3.718 3.384 3.955 . 0 0 "[ . 1 . 2]" 1
605 1 69 LYS HD3 1 70 ALA H . . 5.500 4.398 3.758 5.046 . 0 0 "[ . 1 . 2]" 1
606 1 70 ALA HA 1 71 PRO HD3 . . 3.300 2.345 2.344 2.346 . 0 0 "[ . 1 . 2]" 1
607 1 72 PRO HA 1 73 MET H . . 4.500 3.532 3.522 3.537 . 0 0 "[ . 1 . 2]" 1
608 1 72 PRO HB2 1 73 MET H . . 4.000 3.299 3.265 3.350 . 0 0 "[ . 1 . 2]" 1
609 1 72 PRO HD2 1 73 MET H . . 3.800 2.648 2.647 2.650 . 0 0 "[ . 1 . 2]" 1
610 1 72 PRO HG2 1 73 MET H . . 3.000 2.327 2.285 2.389 . 0 0 "[ . 1 . 2]" 1
611 1 73 MET H 1 73 MET HB2 . . 4.200 3.145 3.124 3.175 . 0 0 "[ . 1 . 2]" 1
612 1 73 MET H 1 73 MET HG2 . . 4.800 3.695 3.594 3.755 . 0 0 "[ . 1 . 2]" 1
613 1 73 MET H 1 74 TYR H . . 4.800 3.419 3.409 3.442 . 0 0 "[ . 1 . 2]" 1
614 1 73 MET H 1 79 LEU HB3 . . 3.200 3.146 3.054 3.190 . 0 0 "[ . 1 . 2]" 1
615 1 71 PRO HG2 1 73 MET HG3 . . 4.200 3.255 3.157 3.381 . 0 0 "[ . 1 . 2]" 1
616 1 73 MET HA 1 74 TYR H . . 3.100 2.223 2.221 2.227 . 0 0 "[ . 1 . 2]" 1
617 1 73 MET HB3 1 74 TYR H . . 4.600 4.082 4.058 4.096 . 0 0 "[ . 1 . 2]" 1
618 1 73 MET HG2 1 74 TYR H . . 4.600 4.014 3.970 4.082 . 0 0 "[ . 1 . 2]" 1
619 1 74 TYR H 1 74 TYR HB2 . . 3.500 2.538 2.461 2.574 . 0 0 "[ . 1 . 2]" 1
620 1 74 TYR H 1 74 TYR HB3 . . 4.200 3.171 3.121 3.319 . 0 0 "[ . 1 . 2]" 1
621 1 74 TYR H 1 75 ASP H . . 5.400 4.338 4.323 4.354 . 0 0 "[ . 1 . 2]" 1
622 1 74 TYR H 1 78 GLN HA . . 4.200 3.386 3.290 3.574 . 0 0 "[ . 1 . 2]" 1
623 1 74 TYR H 1 79 LEU HB2 . . 3.200 3.133 3.032 3.194 . 0 0 "[ . 1 . 2]" 1
624 1 74 TYR HA 1 75 ASP H . . 3.100 2.145 2.142 2.149 . 0 0 "[ . 1 . 2]" 1
625 1 74 TYR HB3 1 75 ASP H . . 4.500 3.751 3.623 3.814 . 0 0 "[ . 1 . 2]" 1
626 1 75 ASP H 1 75 ASP HB2 . . 3.800 2.207 2.069 2.534 . 0 0 "[ . 1 . 2]" 1
627 1 75 ASP H 1 76 ASP H . . 4.000 2.827 2.802 2.849 . 0 0 "[ . 1 . 2]" 1
628 1 75 ASP H 1 77 VAL H . . 5.600 4.785 4.734 4.861 . 0 0 "[ . 1 . 2]" 1
629 1 73 MET HB3 1 75 ASP HA . . 6.500 6.356 6.303 6.398 . 0 0 "[ . 1 . 2]" 1
630 1 74 TYR HA 1 76 ASP H . . 5.100 4.047 4.029 4.071 . 0 0 "[ . 1 . 2]" 1
631 1 74 TYR HB3 1 76 ASP H . . 4.300 3.381 3.209 3.460 . 0 0 "[ . 1 . 2]" 1
632 1 75 ASP HA 1 76 ASP H . . 4.500 3.546 3.544 3.549 . 0 0 "[ . 1 . 2]" 1
633 1 75 ASP HB2 1 76 ASP H . . 3.500 2.911 2.537 3.304 . 0 0 "[ . 1 . 2]" 1
634 1 75 ASP HB3 1 76 ASP H . . 4.600 3.086 2.705 3.575 . 0 0 "[ . 1 . 2]" 1
635 1 76 ASP H 1 76 ASP HB2 . . 3.200 2.253 2.071 2.540 . 0 0 "[ . 1 . 2]" 1
636 1 76 ASP H 1 76 ASP HB3 . . 3.800 3.298 2.629 3.593 . 0 0 "[ . 1 . 2]" 1
637 1 76 ASP H 1 77 VAL H . . 3.800 3.038 3.015 3.073 . 0 0 "[ . 1 . 2]" 1
638 1 23 PHE HE2 1 76 ASP HB3 . . 4.400 3.353 2.532 4.383 . 0 0 "[ . 1 . 2]" 1
639 1 74 TYR HB3 1 77 VAL H . . 3.200 2.357 2.322 2.395 . 0 0 "[ . 1 . 2]" 1
640 1 75 ASP HA 1 77 VAL H . . 6.000 4.960 4.907 5.043 . 0 0 "[ . 1 . 2]" 1
641 1 75 ASP HB2 1 77 VAL H . . 6.200 5.710 5.406 6.022 . 0 0 "[ . 1 . 2]" 1
642 1 76 ASP HA 1 77 VAL H . . 4.600 3.570 3.569 3.571 . 0 0 "[ . 1 . 2]" 1
643 1 76 ASP HB2 1 77 VAL H . . 4.300 2.764 2.114 3.565 . 0 0 "[ . 1 . 2]" 1
644 1 76 ASP HB3 1 77 VAL H . . 3.200 2.549 2.005 3.129 . 0 0 "[ . 1 . 2]" 1
645 1 77 VAL H 1 77 VAL HB . . 3.600 2.758 2.728 2.792 . 0 0 "[ . 1 . 2]" 1
646 1 77 VAL H 1 77 VAL MG2 . . 3.800 2.858 2.755 2.969 . 0 0 "[ . 1 . 2]" 1
647 1 77 VAL H 1 78 GLN H . . 5.400 4.316 4.287 4.384 . 0 0 "[ . 1 . 2]" 1
648 1 12 PRO HG3 1 77 VAL MG2 . . 5.300 4.593 3.235 4.931 . 0 0 "[ . 1 . 2]" 1
649 1 77 VAL HA 1 78 GLN H . . 3.200 2.161 2.153 2.183 . 0 0 "[ . 1 . 2]" 1
650 1 77 VAL HB 1 78 GLN H . . 5.200 4.112 4.029 4.162 . 0 0 "[ . 1 . 2]" 1
651 1 77 VAL MG1 1 78 GLN H . . 4.000 2.466 2.273 2.632 . 0 0 "[ . 1 . 2]" 1
652 1 77 VAL MG2 1 78 GLN H . . 5.200 4.033 3.979 4.081 . 0 0 "[ . 1 . 2]" 1
653 1 78 GLN H 1 78 GLN HB2 . . 3.200 2.163 2.068 2.427 . 0 0 "[ . 1 . 2]" 1
654 1 78 GLN H 1 78 GLN HG3 . . 4.400 3.670 2.364 4.373 . 0 0 "[ . 1 . 2]" 1
655 1 73 MET HA 1 79 LEU H . . 3.500 3.273 3.209 3.326 . 0 0 "[ . 1 . 2]" 1
656 1 73 MET HG2 1 79 LEU H . . 4.500 4.481 4.445 4.498 . 0 0 "[ . 1 . 2]" 1
657 1 74 TYR H 1 79 LEU H . . 3.000 2.920 2.860 2.986 . 0 0 "[ . 1 . 2]" 1
658 1 78 GLN HA 1 79 LEU H . . 3.200 2.140 2.139 2.142 . 0 0 "[ . 1 . 2]" 1
659 1 78 GLN HB3 1 79 LEU H . . 4.600 3.766 3.497 4.143 . 0 0 "[ . 1 . 2]" 1
660 1 78 GLN HG2 1 79 LEU H . . 4.500 3.671 2.819 4.416 . 0 0 "[ . 1 . 2]" 1
661 1 78 GLN H 1 79 LEU H . . 5.400 4.491 4.471 4.510 . 0 0 "[ . 1 . 2]" 1
662 1 79 LEU H 1 79 LEU HB2 . . 3.100 2.234 2.207 2.244 . 0 0 "[ . 1 . 2]" 1
663 1 79 LEU H 1 79 LEU HG . . 5.500 4.549 4.491 4.588 . 0 0 "[ . 1 . 2]" 1
664 1 79 LEU H 1 79 LEU MD1 . . 5.300 4.270 4.240 4.315 . 0 0 "[ . 1 . 2]" 1
665 1 79 LEU H 1 79 LEU MD2 . . 4.000 3.259 3.164 3.357 . 0 0 "[ . 1 . 2]" 1
666 1 9 LYS HD3 1 79 LEU HA . . 3.200 2.770 2.484 3.088 . 0 0 "[ . 1 . 2]" 1
667 1 9 LYS HE2 1 79 LEU HA . . 5.400 3.606 2.370 5.018 . 0 0 "[ . 1 . 2]" 1
668 1 74 TYR HB2 1 79 LEU MD2 . . 3.200 2.996 2.812 3.102 . 0 0 "[ . 1 . 2]" 1
669 1 77 VAL MG1 1 79 LEU MD2 . . 4.800 2.828 2.654 3.102 . 0 0 "[ . 1 . 2]" 1
670 1 79 LEU HA 1 80 THR H . . 3.200 2.184 2.171 2.199 . 0 0 "[ . 1 . 2]" 1
671 1 79 LEU HB3 1 80 THR H . . 4.400 3.362 3.287 3.408 . 0 0 "[ . 1 . 2]" 1
672 1 79 LEU MD1 1 80 THR H . . 3.100 2.344 2.039 2.520 . 0 0 "[ . 1 . 2]" 1
673 1 79 LEU MD2 1 80 THR H . . 5.200 3.924 3.735 4.028 . 0 0 "[ . 1 . 2]" 1
674 1 79 LEU H 1 80 THR H . . 5.500 4.504 4.487 4.530 . 0 0 "[ . 1 . 2]" 1
675 1 80 THR H 1 80 THR HB . . 3.800 3.012 2.883 3.109 . 0 0 "[ . 1 . 2]" 1
676 1 80 THR MG 1 82 GLU HG2 . . 4.200 3.825 3.677 3.991 . 0 0 "[ . 1 . 2]" 1
677 1 9 LYS HB3 1 80 THR H . . 4.600 4.174 4.117 4.237 . 0 0 "[ . 1 . 2]" 1
678 1 9 LYS HD3 1 80 THR H . . 2.800 2.285 2.074 2.461 . 0 0 "[ . 1 . 2]" 1
679 1 9 LYS HG2 1 80 THR H . . 3.000 1.971 1.950 2.001 . 0 0 "[ . 1 . 2]" 1
680 1 72 PRO HD2 1 81 ALA H . . 4.300 4.114 4.052 4.203 . 0 0 "[ . 1 . 2]" 1
681 1 80 THR HA 1 81 ALA H . . 3.200 2.173 2.161 2.180 . 0 0 "[ . 1 . 2]" 1
682 1 80 THR HB 1 81 ALA H . . 5.200 4.193 4.129 4.296 . 0 0 "[ . 1 . 2]" 1
683 1 80 THR MG 1 81 ALA H . . 4.300 3.261 3.130 3.374 . 0 0 "[ . 1 . 2]" 1
684 1 80 THR H 1 81 ALA H . . 5.100 4.022 3.987 4.067 . 0 0 "[ . 1 . 2]" 1
685 1 8 VAL MG1 1 81 ALA HA . . 3.600 2.937 2.647 3.223 . 0 0 "[ . 1 . 2]" 1
686 1 8 VAL MG2 1 81 ALA MB . . 3.600 2.206 2.001 2.407 . 0 0 "[ . 1 . 2]" 1
687 1 8 VAL MG1 1 81 ALA MB . . 4.600 3.058 2.789 3.315 . 0 0 "[ . 1 . 2]" 1
688 1 79 LEU MD1 1 81 ALA MB . . 4.300 3.633 3.419 3.794 . 0 0 "[ . 1 . 2]" 1
689 1 7 TYR HB2 1 82 GLU H . . 4.200 3.522 3.405 3.679 . 0 0 "[ . 1 . 2]" 1
690 1 7 TYR HB2 1 82 GLU HB3 . . 3.800 3.742 3.631 3.792 . 0 0 "[ . 1 . 2]" 1
691 1 8 VAL H 1 82 GLU H . . 6.100 4.971 4.909 5.036 . 0 0 "[ . 1 . 2]" 1
692 1 8 VAL HA 1 82 GLU H . . 4.600 3.255 3.117 3.400 . 0 0 "[ . 1 . 2]" 1
693 1 81 ALA HA 1 82 GLU H . . 3.200 2.226 2.202 2.236 . 0 0 "[ . 1 . 2]" 1
694 1 81 ALA MB 1 82 GLU H . . 4.300 2.900 2.827 2.976 . 0 0 "[ . 1 . 2]" 1
695 1 81 ALA H 1 82 GLU H . . 5.300 4.498 4.484 4.510 . 0 0 "[ . 1 . 2]" 1
696 1 82 GLU H 1 82 GLU HB2 . . 3.600 2.379 2.349 2.408 . 0 0 "[ . 1 . 2]" 1
697 1 82 GLU H 1 82 GLU HG2 . . 4.200 3.513 3.342 3.670 . 0 0 "[ . 1 . 2]" 1
698 1 82 GLU H 1 83 MET H . . 5.400 4.505 4.496 4.512 . 0 0 "[ . 1 . 2]" 1
699 1 82 GLU HA 1 83 MET H . . 3.400 2.444 2.435 2.450 . 0 0 "[ . 1 . 2]" 1
700 1 82 GLU HB3 1 83 MET H . . 3.500 2.401 2.363 2.452 . 0 0 "[ . 1 . 2]" 1
701 1 82 GLU HG2 1 83 MET H . . 5.400 4.237 3.904 4.500 . 0 0 "[ . 1 . 2]" 1
702 1 83 MET H 1 83 MET HB2 . . 3.400 2.524 2.345 2.703 . 0 0 "[ . 1 . 2]" 1
703 1 83 MET H 1 83 MET HG3 . . 5.200 4.384 4.190 4.546 . 0 0 "[ . 1 . 2]" 1
704 1 83 MET H 1 86 THR HB . . 4.100 3.232 2.842 3.474 . 0 0 "[ . 1 . 2]" 1
705 1 83 MET H 1 86 THR H . . 4.700 4.058 3.906 4.123 . 0 0 "[ . 1 . 2]" 1
706 1 6 VAL MG1 1 83 MET HA . . 4.200 3.811 3.565 3.939 . 0 0 "[ . 1 . 2]" 1
707 1 6 VAL HA 1 84 LYS H . . 5.100 4.780 4.665 4.941 . 0 0 "[ . 1 . 2]" 1
708 1 83 MET HA 1 84 LYS H . . 3.500 2.305 2.287 2.341 . 0 0 "[ . 1 . 2]" 1
709 1 83 MET HB3 1 84 LYS H . . 4.000 3.427 3.153 3.653 . 0 0 "[ . 1 . 2]" 1
710 1 83 MET HG2 1 84 LYS H . . 3.100 2.508 2.182 2.908 . 0 0 "[ . 1 . 2]" 1
711 1 83 MET H 1 84 LYS H . . 5.500 4.549 4.544 4.554 . 0 0 "[ . 1 . 2]" 1
712 1 84 LYS H 1 84 LYS HB3 . . 3.600 2.586 2.485 2.656 . 0 0 "[ . 1 . 2]" 1
713 1 84 LYS H 1 84 LYS HD3 . . 4.500 3.724 3.338 3.999 . 0 0 "[ . 1 . 2]" 1
714 1 84 LYS H 1 84 LYS HE2 . . 5.300 4.405 3.542 5.100 . 0 0 "[ . 1 . 2]" 1
715 1 84 LYS H 1 84 LYS HG2 . . 3.200 2.012 1.951 2.191 . 0 0 "[ . 1 . 2]" 1
716 1 84 LYS H 1 85 THR H . . 3.800 2.660 2.602 2.716 . 0 0 "[ . 1 . 2]" 1
717 1 84 LYS H 1 86 THR H . . 5.200 4.381 4.309 4.475 . 0 0 "[ . 1 . 2]" 1
718 1 84 LYS HA 1 87 TYR HB2 . . 4.400 2.982 2.824 3.204 . 0 0 "[ . 1 . 2]" 1
719 1 83 MET HA 1 85 THR H . . 5.400 4.216 4.151 4.311 . 0 0 "[ . 1 . 2]" 1
720 1 83 MET HB3 1 85 THR H . . 3.800 3.004 2.743 3.255 . 0 0 "[ . 1 . 2]" 1
721 1 83 MET HG2 1 85 THR H . . 4.100 2.536 1.970 3.117 . 0 0 "[ . 1 . 2]" 1
722 1 84 LYS HA 1 85 THR H . . 4.500 3.520 3.507 3.536 . 0 0 "[ . 1 . 2]" 1
723 1 84 LYS HB2 1 85 THR H . . 4.600 3.738 3.634 3.867 . 0 0 "[ . 1 . 2]" 1
724 1 84 LYS HG2 1 85 THR H . . 3.200 2.408 2.186 2.718 . 0 0 "[ . 1 . 2]" 1
725 1 84 LYS HE2 1 85 THR H . . 5.400 4.844 4.075 5.340 . 0 0 "[ . 1 . 2]" 1
726 1 85 THR H 1 85 THR HB . . 3.600 2.877 2.615 3.256 . 0 0 "[ . 1 . 2]" 1
727 1 85 THR H 1 86 THR H . . 3.800 2.766 2.701 2.828 . 0 0 "[ . 1 . 2]" 1
728 1 85 THR H 1 88 LEU H . . 5.600 4.830 4.773 4.882 . 0 0 "[ . 1 . 2]" 1
729 1 85 THR HA 1 88 LEU HB3 . . 3.500 2.830 2.636 3.273 . 0 0 "[ . 1 . 2]" 1
730 1 83 MET HB3 1 86 THR H . . 3.600 2.457 2.290 2.647 . 0 0 "[ . 1 . 2]" 1
731 1 83 MET HG2 1 86 THR H . . 5.500 3.993 3.454 4.591 . 0 0 "[ . 1 . 2]" 1
732 1 84 LYS HA 1 86 THR H . . 5.600 4.495 4.401 4.644 . 0 0 "[ . 1 . 2]" 1
733 1 84 LYS HG2 1 86 THR H . . 5.600 5.038 4.863 5.288 . 0 0 "[ . 1 . 2]" 1
734 1 85 THR HA 1 86 THR H . . 4.500 3.553 3.547 3.560 . 0 0 "[ . 1 . 2]" 1
735 1 85 THR HB 1 86 THR H . . 3.400 2.515 2.396 2.710 . 0 0 "[ . 1 . 2]" 1
736 1 85 THR MG 1 86 THR H . . 4.800 3.753 3.452 4.068 . 0 0 "[ . 1 . 2]" 1
737 1 86 THR H 1 86 THR HB . . 4.200 2.827 2.646 3.081 . 0 0 "[ . 1 . 2]" 1
738 1 86 THR H 1 86 THR MG . . 4.600 3.707 3.570 3.761 . 0 0 "[ . 1 . 2]" 1
739 1 86 THR H 1 87 TYR H . . 3.800 2.913 2.831 2.982 . 0 0 "[ . 1 . 2]" 1
740 1 86 THR HA 1 89 GLU HB3 . . 4.500 3.502 2.969 3.960 . 0 0 "[ . 1 . 2]" 1
741 1 86 THR H 1 89 GLU H . . 5.800 4.832 4.784 4.884 . 0 0 "[ . 1 . 2]" 1
742 1 82 GLU HB3 1 86 THR HB . . 3.600 3.483 3.266 3.593 . 0 0 "[ . 1 . 2]" 1
743 1 83 MET H 1 87 TYR H . . 5.000 4.493 4.133 4.800 . 0 0 "[ . 1 . 2]" 1
744 1 83 MET HB3 1 87 TYR H . . 5.500 4.598 4.276 4.896 . 0 0 "[ . 1 . 2]" 1
745 1 84 LYS HA 1 87 TYR H . . 4.800 3.711 3.577 3.850 . 0 0 "[ . 1 . 2]" 1
746 1 84 LYS H 1 87 TYR H . . 5.800 5.187 5.061 5.327 . 0 0 "[ . 1 . 2]" 1
747 1 85 THR HA 1 87 TYR H . . 5.800 4.796 4.609 4.938 . 0 0 "[ . 1 . 2]" 1
748 1 85 THR H 1 87 TYR H . . 5.400 4.506 4.333 4.645 . 0 0 "[ . 1 . 2]" 1
749 1 86 THR HA 1 87 TYR H . . 4.500 3.568 3.559 3.572 . 0 0 "[ . 1 . 2]" 1
750 1 86 THR HB 1 87 TYR H . . 3.400 2.263 2.150 2.406 . 0 0 "[ . 1 . 2]" 1
751 1 86 THR MG 1 87 TYR H . . 5.400 3.534 3.306 3.761 . 0 0 "[ . 1 . 2]" 1
752 1 87 TYR H 1 87 TYR HB2 . . 3.100 2.150 2.065 2.249 . 0 0 "[ . 1 . 2]" 1
753 1 87 TYR H 1 87 TYR HB3 . . 4.100 3.448 3.259 3.531 . 0 0 "[ . 1 . 2]" 1
754 1 87 TYR H 1 88 LEU H . . 3.800 2.819 2.766 2.856 . 0 0 "[ . 1 . 2]" 1
755 1 87 TYR H 1 89 GLU H . . 5.400 4.306 4.203 4.363 . 0 0 "[ . 1 . 2]" 1
756 1 87 TYR H 1 90 ARG H . . 5.600 4.749 4.713 4.779 . 0 0 "[ . 1 . 2]" 1
757 1 87 TYR HA 1 90 ARG HB2 . . 3.300 2.489 2.325 2.686 . 0 0 "[ . 1 . 2]" 1
758 1 84 LYS HA 1 88 LEU H . . 5.000 4.074 3.954 4.210 . 0 0 "[ . 1 . 2]" 1
759 1 84 LYS HB2 1 88 LEU H . . 5.800 4.860 4.754 4.950 . 0 0 "[ . 1 . 2]" 1
760 1 85 THR HA 1 88 LEU H . . 4.700 3.677 3.593 3.767 . 0 0 "[ . 1 . 2]" 1
761 1 86 THR HA 1 88 LEU H . . 5.600 4.635 4.539 4.723 . 0 0 "[ . 1 . 2]" 1
762 1 86 THR H 1 88 LEU H . . 5.200 4.274 4.213 4.349 . 0 0 "[ . 1 . 2]" 1
763 1 87 TYR HA 1 88 LEU H . . 4.500 3.553 3.547 3.559 . 0 0 "[ . 1 . 2]" 1
764 1 87 TYR HB2 1 88 LEU H . . 4.100 2.823 2.676 3.116 . 0 0 "[ . 1 . 2]" 1
765 1 87 TYR HB3 1 88 LEU H . . 3.800 3.018 2.735 3.237 . 0 0 "[ . 1 . 2]" 1
766 1 88 LEU H 1 88 LEU HB2 . . 3.500 2.393 2.116 2.594 . 0 0 "[ . 1 . 2]" 1
767 1 88 LEU H 1 88 LEU HG . . 5.400 4.425 4.245 4.493 . 0 0 "[ . 1 . 2]" 1
768 1 88 LEU H 1 88 LEU MD1 . . 5.400 4.006 3.623 4.246 . 0 0 "[ . 1 . 2]" 1
769 1 88 LEU H 1 88 LEU MD2 . . 5.400 4.232 3.961 4.432 . 0 0 "[ . 1 . 2]" 1
770 1 88 LEU H 1 89 GLU H . . 3.800 2.826 2.790 2.859 . 0 0 "[ . 1 . 2]" 1
771 1 88 LEU HA 1 91 LYS HG2 . . 3.800 2.313 2.229 2.410 . 0 0 "[ . 1 . 2]" 1
772 1 85 THR HA 1 89 GLU H . . 5.200 4.166 4.117 4.235 . 0 0 "[ . 1 . 2]" 1
773 1 85 THR MG 1 89 GLU H . . 5.100 4.232 3.963 4.679 . 0 0 "[ . 1 . 2]" 1
774 1 86 THR HA 1 89 GLU H . . 4.800 3.671 3.610 3.736 . 0 0 "[ . 1 . 2]" 1
775 1 87 TYR HA 1 89 GLU H . . 5.400 4.423 4.357 4.481 . 0 0 "[ . 1 . 2]" 1
776 1 88 LEU HA 1 89 GLU H . . 4.600 3.547 3.538 3.553 . 0 0 "[ . 1 . 2]" 1
777 1 88 LEU HB3 1 89 GLU H . . 3.500 2.508 2.439 2.596 . 0 0 "[ . 1 . 2]" 1
778 1 88 LEU HG 1 89 GLU H . . 5.200 4.213 3.728 4.695 . 0 0 "[ . 1 . 2]" 1
779 1 88 LEU MD2 1 89 GLU H . . 4.300 3.490 2.629 3.949 . 0 0 "[ . 1 . 2]" 1
780 1 89 GLU H 1 89 GLU HB2 . . 3.400 2.259 2.070 2.596 . 0 0 "[ . 1 . 2]" 1
781 1 89 GLU H 1 89 GLU HG2 . . 5.200 4.412 4.042 4.632 . 0 0 "[ . 1 . 2]" 1
782 1 89 GLU H 1 90 ARG H . . 3.700 2.625 2.592 2.667 . 0 0 "[ . 1 . 2]" 1
783 1 89 GLU HA 1 92 ALA MB . . 3.400 2.354 2.191 2.599 . 0 0 "[ . 1 . 2]" 1
784 1 89 GLU H 1 92 ALA H . . 5.600 4.736 4.707 4.768 . 0 0 "[ . 1 . 2]" 1
785 1 86 THR HA 1 90 ARG H . . 5.300 4.328 4.267 4.362 . 0 0 "[ . 1 . 2]" 1
786 1 86 THR MG 1 90 ARG H . . 6.000 4.303 4.112 4.592 . 0 0 "[ . 1 . 2]" 1
787 1 87 TYR HA 1 90 ARG H . . 4.300 3.359 3.311 3.402 . 0 0 "[ . 1 . 2]" 1
788 1 88 LEU HA 1 90 ARG H . . 5.400 4.436 4.402 4.526 . 0 0 "[ . 1 . 2]" 1
789 1 88 LEU H 1 90 ARG H . . 5.100 4.169 4.135 4.244 . 0 0 "[ . 1 . 2]" 1
790 1 89 GLU HA 1 90 ARG H . . 4.500 3.528 3.523 3.539 . 0 0 "[ . 1 . 2]" 1
791 1 89 GLU HB3 1 90 ARG H . . 3.700 2.729 2.610 2.941 . 0 0 "[ . 1 . 2]" 1
792 1 90 ARG H 1 90 ARG HB2 . . 3.200 2.157 2.061 2.433 . 0 0 "[ . 1 . 2]" 1
793 1 90 ARG H 1 90 ARG HG2 . . 5.000 4.034 2.296 4.630 . 0 0 "[ . 1 . 2]" 1
794 1 90 ARG H 1 90 ARG HD3 . . 3.600 3.267 2.779 3.598 . 0 0 "[ . 1 . 2]" 1
795 1 90 ARG H 1 92 ALA H . . 5.000 4.044 4.010 4.075 . 0 0 "[ . 1 . 2]" 1
796 1 90 ARG H 1 93 GLU H . . 5.800 4.789 4.729 4.862 . 0 0 "[ . 1 . 2]" 1
797 1 90 ARG HA 1 93 GLU HB3 . . 4.800 3.777 3.267 4.438 . 0 0 "[ . 1 . 2]" 1
798 1 87 TYR HA 1 91 LYS H . . 4.900 4.036 3.974 4.079 . 0 0 "[ . 1 . 2]" 1
799 1 88 LEU HA 1 91 LYS H . . 5.000 3.877 3.838 3.923 . 0 0 "[ . 1 . 2]" 1
800 1 88 LEU H 1 91 LYS H . . 5.800 5.029 4.996 5.059 . 0 0 "[ . 1 . 2]" 1
801 1 89 GLU HA 1 91 LYS H . . 5.800 4.844 4.782 4.910 . 0 0 "[ . 1 . 2]" 1
802 1 89 GLU H 1 91 LYS H . . 5.600 4.550 4.507 4.582 . 0 0 "[ . 1 . 2]" 1
803 1 90 ARG HA 1 91 LYS H . . 4.500 3.569 3.568 3.570 . 0 0 "[ . 1 . 2]" 1
804 1 90 ARG HB2 1 91 LYS H . . 3.800 2.815 2.259 3.203 . 0 0 "[ . 1 . 2]" 1
805 1 90 ARG HD3 1 91 LYS H . . 5.600 5.015 4.550 5.290 . 0 0 "[ . 1 . 2]" 1
806 1 90 ARG H 1 91 LYS H . . 3.800 2.883 2.842 2.930 . 0 0 "[ . 1 . 2]" 1
807 1 91 LYS H 1 91 LYS HB3 . . 3.600 2.591 2.571 2.607 . 0 0 "[ . 1 . 2]" 1
808 1 91 LYS H 1 91 LYS HE2 . . 5.400 5.070 4.937 5.385 . 0 0 "[ . 1 . 2]" 1
809 1 91 LYS H 1 91 LYS HD2 . . 4.100 3.861 3.675 3.969 . 0 0 "[ . 1 . 2]" 1
810 1 91 LYS H 1 91 LYS HG2 . . 3.200 2.001 1.956 2.042 . 0 0 "[ . 1 . 2]" 1
811 1 91 LYS H 1 92 ALA H . . 3.800 2.712 2.679 2.761 . 0 0 "[ . 1 . 2]" 1
812 1 91 LYS H 1 94 GLU H . . 5.700 4.730 4.693 4.761 . 0 0 "[ . 1 . 2]" 1
813 1 49 ARG HG3 1 91 LYS HE3 . . 4.600 4.148 3.425 4.546 . 0 0 "[ . 1 . 2]" 1
814 1 87 TYR HB3 1 91 LYS HD2 . . 4.400 4.126 3.813 4.340 . 0 0 "[ . 1 . 2]" 1
815 1 91 LYS HA 1 94 GLU HB3 . . 3.400 2.576 2.318 2.822 . 0 0 "[ . 1 . 2]" 1
816 1 88 LEU HA 1 92 ALA H . . 5.000 4.042 3.998 4.094 . 0 0 "[ . 1 . 2]" 1
817 1 88 LEU HG 1 92 ALA H . . 5.500 4.533 4.286 4.970 . 0 0 "[ . 1 . 2]" 1
818 1 89 GLU HA 1 92 ALA H . . 4.600 3.587 3.533 3.666 . 0 0 "[ . 1 . 2]" 1
819 1 90 ARG HA 1 92 ALA H . . 5.600 4.523 4.466 4.593 . 0 0 "[ . 1 . 2]" 1
820 1 91 LYS HA 1 92 ALA H . . 4.500 3.535 3.528 3.542 . 0 0 "[ . 1 . 2]" 1
821 1 91 LYS HB2 1 92 ALA H . . 4.600 3.655 3.601 3.707 . 0 0 "[ . 1 . 2]" 1
822 1 91 LYS HG2 1 92 ALA H . . 3.200 2.479 2.358 2.576 . 0 0 "[ . 1 . 2]" 1
823 1 92 ALA H 1 92 ALA MB . . 3.400 2.182 2.103 2.233 . 0 0 "[ . 1 . 2]" 1
824 1 92 ALA H 1 94 GLU H . . 5.000 4.089 4.046 4.165 . 0 0 "[ . 1 . 2]" 1
825 1 92 ALA H 1 95 ILE H . . 5.800 5.045 4.990 5.095 . 0 0 "[ . 1 . 2]" 1
826 1 92 ALA HA 1 95 ILE MG . . 4.000 2.399 2.276 2.550 . 0 0 "[ . 1 . 2]" 1
827 1 89 GLU HA 1 93 GLU H . . 5.000 4.031 3.983 4.097 . 0 0 "[ . 1 . 2]" 1
828 1 89 GLU HG2 1 93 GLU H . . 5.200 4.711 4.205 5.078 . 0 0 "[ . 1 . 2]" 1
829 1 90 ARG HA 1 93 GLU H . . 4.800 3.738 3.648 3.804 . 0 0 "[ . 1 . 2]" 1
830 1 91 LYS HA 1 93 GLU H . . 5.200 4.408 4.339 4.470 . 0 0 "[ . 1 . 2]" 1
831 1 91 LYS H 1 93 GLU H . . 5.200 4.337 4.295 4.383 . 0 0 "[ . 1 . 2]" 1
832 1 92 ALA HA 1 93 GLU H . . 4.500 3.550 3.545 3.554 . 0 0 "[ . 1 . 2]" 1
833 1 92 ALA MB 1 93 GLU H . . 3.800 2.521 2.423 2.634 . 0 0 "[ . 1 . 2]" 1
834 1 92 ALA H 1 93 GLU H . . 3.800 2.794 2.749 2.828 . 0 0 "[ . 1 . 2]" 1
835 1 93 GLU H 1 93 GLU HB2 . . 3.400 2.282 2.076 2.609 . 0 0 "[ . 1 . 2]" 1
836 1 93 GLU H 1 93 GLU HG3 . . 5.200 4.183 3.477 4.621 . 0 0 "[ . 1 . 2]" 1
837 1 93 GLU H 1 94 GLU H . . 3.800 2.552 2.506 2.589 . 0 0 "[ . 1 . 2]" 1
838 1 93 GLU H 1 95 ILE H . . 5.600 4.569 4.415 4.661 . 0 0 "[ . 1 . 2]" 1
839 1 90 ARG HA 1 94 GLU H . . 5.200 4.314 4.284 4.343 . 0 0 "[ . 1 . 2]" 1
840 1 90 ARG HB3 1 94 GLU H . . 6.000 5.266 5.153 5.413 . 0 0 "[ . 1 . 2]" 1
841 1 91 LYS HA 1 94 GLU H . . 4.200 3.320 3.250 3.380 . 0 0 "[ . 1 . 2]" 1
842 1 92 ALA HA 1 94 GLU H . . 5.500 4.472 4.383 4.546 . 0 0 "[ . 1 . 2]" 1
843 1 93 GLU HA 1 94 GLU H . . 4.500 3.521 3.513 3.532 . 0 0 "[ . 1 . 2]" 1
844 1 93 GLU HB3 1 94 GLU H . . 3.800 2.833 2.651 3.170 . 0 0 "[ . 1 . 2]" 1
845 1 93 GLU HG2 1 94 GLU H . . 5.200 4.580 3.955 5.071 . 0 0 "[ . 1 . 2]" 1
846 1 94 GLU H 1 94 GLU HB3 . . 3.400 2.586 2.430 2.760 . 0 0 "[ . 1 . 2]" 1
847 1 94 GLU H 1 94 GLU HG2 . . 5.200 4.486 4.405 4.615 . 0 0 "[ . 1 . 2]" 1
848 1 94 GLU H 1 95 ILE H . . 3.800 2.912 2.836 2.962 . 0 0 "[ . 1 . 2]" 1
849 1 91 LYS HA 1 95 ILE H . . 4.800 3.884 3.761 4.012 . 0 0 "[ . 1 . 2]" 1
850 1 91 LYS HB2 1 95 ILE H . . 5.400 4.656 4.502 4.801 . 0 0 "[ . 1 . 2]" 1
851 1 92 ALA HA 1 95 ILE H . . 5.200 4.036 3.882 4.163 . 0 0 "[ . 1 . 2]" 1
852 1 93 GLU HA 1 95 ILE H . . 5.800 4.865 4.681 5.007 . 0 0 "[ . 1 . 2]" 1
853 1 94 GLU HA 1 95 ILE H . . 4.500 3.569 3.564 3.570 . 0 0 "[ . 1 . 2]" 1
854 1 94 GLU HB3 1 95 ILE H . . 3.200 2.192 2.106 2.370 . 0 0 "[ . 1 . 2]" 1
855 1 94 GLU HG2 1 95 ILE H . . 3.800 3.448 2.945 3.790 . 0 0 "[ . 1 . 2]" 1
856 1 95 ILE H 1 95 ILE HB . . 3.500 2.558 2.518 2.587 . 0 0 "[ . 1 . 2]" 1
857 1 95 ILE H 1 95 ILE HG13 . . 5.500 4.406 4.381 4.477 . 0 0 "[ . 1 . 2]" 1
858 1 95 ILE H 1 95 ILE MG . . 3.300 2.005 1.944 2.129 . 0 0 "[ . 1 . 2]" 1
859 1 95 ILE H 1 95 ILE MD . . 5.500 4.251 4.002 4.343 . 0 0 "[ . 1 . 2]" 1
860 1 95 ILE H 1 96 ALA H . . 3.800 2.669 2.596 2.738 . 0 0 "[ . 1 . 2]" 1
861 1 95 ILE HA 1 98 LYS HG3 . . 3.500 2.927 2.255 3.487 . 0 0 "[ . 1 . 2]" 1
862 1 92 ALA HA 1 96 ALA H . . 5.400 4.237 4.042 4.419 . 0 0 "[ . 1 . 2]" 1
863 1 93 GLU HA 1 96 ALA H . . 4.500 3.500 3.390 3.611 . 0 0 "[ . 1 . 2]" 1
864 1 93 GLU H 1 96 ALA H . . 5.800 4.710 4.625 4.791 . 0 0 "[ . 1 . 2]" 1
865 1 94 GLU HA 1 96 ALA H . . 5.200 4.342 4.284 4.407 . 0 0 "[ . 1 . 2]" 1
866 1 94 GLU H 1 96 ALA H . . 4.000 3.920 3.862 3.973 . 0 0 "[ . 1 . 2]" 1
867 1 95 ILE HA 1 96 ALA H . . 4.500 3.508 3.500 3.515 . 0 0 "[ . 1 . 2]" 1
868 1 95 ILE HB 1 96 ALA H . . 4.800 3.992 3.980 4.010 . 0 0 "[ . 1 . 2]" 1
869 1 95 ILE MG 1 96 ALA H . . 3.500 2.123 1.928 2.187 . 0 0 "[ . 1 . 2]" 1
870 1 96 ALA H 1 96 ALA MB . . 3.300 2.148 2.025 2.235 . 0 0 "[ . 1 . 2]" 1
871 1 96 ALA H 1 98 LYS H . . 5.400 4.220 4.083 4.376 . 0 0 "[ . 1 . 2]" 1
872 1 93 GLU HA 1 97 ALA H . . 5.800 4.198 3.897 4.489 . 0 0 "[ . 1 . 2]" 1
873 1 93 GLU HG2 1 97 ALA H . . 6.000 5.058 4.016 5.982 . 0 0 "[ . 1 . 2]" 1
874 1 94 GLU HA 1 97 ALA H . . 4.800 3.723 3.595 3.924 . 0 0 "[ . 1 . 2]" 1
875 1 94 GLU H 1 97 ALA H . . 6.000 4.855 4.719 5.005 . 0 0 "[ . 1 . 2]" 1
876 1 95 ILE HA 1 97 ALA H . . 5.200 4.287 4.090 4.500 . 0 0 "[ . 1 . 2]" 1
877 1 95 ILE H 1 97 ALA H . . 5.000 4.351 4.257 4.457 . 0 0 "[ . 1 . 2]" 1
878 1 96 ALA HA 1 97 ALA H . . 4.500 3.538 3.524 3.553 . 0 0 "[ . 1 . 2]" 1
879 1 96 ALA MB 1 97 ALA H . . 4.000 2.611 2.446 2.753 . 0 0 "[ . 1 . 2]" 1
880 1 97 ALA H 1 98 LYS H . . 3.500 2.651 2.570 2.747 . 0 0 "[ . 1 . 2]" 1
881 1 94 GLU HA 1 98 LYS H . . 5.800 4.695 4.323 5.085 . 0 0 "[ . 1 . 2]" 1
882 1 95 ILE HA 1 98 LYS H . . 4.200 3.378 3.213 3.526 . 0 0 "[ . 1 . 2]" 1
883 1 95 ILE H 1 98 LYS H . . 5.800 5.004 4.863 5.117 . 0 0 "[ . 1 . 2]" 1
884 1 96 ALA HA 1 98 LYS H . . 5.600 4.503 4.314 4.627 . 0 0 "[ . 1 . 2]" 1
885 1 97 ALA HA 1 98 LYS H . . 4.500 3.540 3.527 3.555 . 0 0 "[ . 1 . 2]" 1
886 1 97 ALA MB 1 98 LYS H . . 3.800 2.568 2.410 2.713 . 0 0 "[ . 1 . 2]" 1
887 1 98 LYS H 1 98 LYS HB2 . . 3.700 2.491 2.291 2.643 . 0 0 "[ . 1 . 2]" 1
888 1 98 LYS H 1 98 LYS HG2 . . 3.300 2.549 2.059 3.104 . 0 0 "[ . 1 . 2]" 1
889 1 98 LYS H 1 98 LYS HD2 . . 5.500 4.755 4.211 5.181 . 0 0 "[ . 1 . 2]" 1
890 1 98 LYS H 1 99 LYS H . . 3.800 2.770 2.669 2.839 . 0 0 "[ . 1 . 2]" 1
891 1 94 GLU HG2 1 98 LYS HG3 . . 4.400 3.711 3.048 4.367 . 0 0 "[ . 1 . 2]" 1
892 1 95 ILE HA 1 99 LYS H . . 4.800 3.894 3.658 4.356 . 0 0 "[ . 1 . 2]" 1
893 1 95 ILE HG13 1 99 LYS H . . 4.000 3.551 3.213 3.995 . 0 0 "[ . 1 . 2]" 1
894 1 96 ALA HA 1 99 LYS H . . 5.200 3.803 3.607 3.966 . 0 0 "[ . 1 . 2]" 1
895 1 96 ALA H 1 99 LYS H . . 5.800 4.887 4.741 5.032 . 0 0 "[ . 1 . 2]" 1
896 1 97 ALA HA 1 99 LYS H . . 5.800 4.870 4.703 5.007 . 0 0 "[ . 1 . 2]" 1
897 1 97 ALA H 1 99 LYS H . . 5.400 4.398 4.298 4.524 . 0 0 "[ . 1 . 2]" 1
898 1 98 LYS HA 1 99 LYS H . . 4.500 3.566 3.559 3.569 . 0 0 "[ . 1 . 2]" 1
899 1 98 LYS HB2 1 99 LYS H . . 3.200 2.322 2.219 2.422 . 0 0 "[ . 1 . 2]" 1
900 1 98 LYS HG3 1 99 LYS H . . 4.800 4.353 4.036 4.666 . 0 0 "[ . 1 . 2]" 1
901 1 98 LYS HE2 1 99 LYS H . . 5.500 5.252 4.916 5.486 . 0 0 "[ . 1 . 2]" 1
902 1 99 LYS H 1 99 LYS HB2 . . 3.400 2.229 2.105 2.574 . 0 0 "[ . 1 . 2]" 1
903 1 99 LYS H 1 99 LYS HG3 . . 4.000 3.597 2.306 3.989 . 0 0 "[ . 1 . 2]" 1
904 1 99 LYS H 1 99 LYS HD2 . . 4.800 4.035 2.160 4.777 . 0 0 "[ . 1 . 2]" 1
905 1 99 LYS H 1 99 LYS HE2 . . 5.400 4.897 2.882 5.376 . 0 0 "[ . 1 . 2]" 1
906 1 95 ILE HG13 1 99 LYS HB2 . . 3.600 3.212 2.724 3.567 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 55
_Distance_constraint_stats_list.Viol_count 1055
_Distance_constraint_stats_list.Viol_total 1474.364
_Distance_constraint_stats_list.Viol_max 1.041
_Distance_constraint_stats_list.Viol_rms 0.1333
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0670
_Distance_constraint_stats_list.Viol_average_violations_only 0.0699
_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 6 VAL 4.016 0.093 13 0 "[ . 1 . 2]"
1 7 TYR 20.271 1.041 6 20 [*****+-*************]
1 8 VAL 5.215 0.100 11 0 "[ . 1 . 2]"
1 9 LYS 1.896 0.092 10 0 "[ . 1 . 2]"
1 17 LEU 2.128 0.098 10 0 "[ . 1 . 2]"
1 18 GLU 2.093 0.100 17 0 "[ . 1 . 2]"
1 19 GLN 2.662 0.098 7 0 "[ . 1 . 2]"
1 20 LEU 1.905 0.094 2 0 "[ . 1 . 2]"
1 21 THR 3.752 0.098 10 0 "[ . 1 . 2]"
1 22 GLU 2.093 0.100 17 0 "[ . 1 . 2]"
1 23 PHE 2.662 0.098 7 0 "[ . 1 . 2]"
1 24 PHE 1.905 0.094 2 0 "[ . 1 . 2]"
1 25 SER 1.624 0.091 13 0 "[ . 1 . 2]"
1 32 ALA 1.103 0.074 19 0 "[ . 1 . 2]"
1 34 TRP 4.808 0.100 13 0 "[ . 1 . 2]"
1 54 VAL 5.215 0.100 11 0 "[ . 1 . 2]"
1 55 PHE 4.808 0.100 13 0 "[ . 1 . 2]"
1 56 VAL 4.016 0.093 13 0 "[ . 1 . 2]"
1 57 VAL 1.103 0.074 19 0 "[ . 1 . 2]"
1 61 SER 1.826 0.096 11 0 "[ . 1 . 2]"
1 62 GLU 1.947 0.097 17 0 "[ . 1 . 2]"
1 63 GLU 1.850 0.094 4 0 "[ . 1 . 2]"
1 64 ALA 2.038 0.100 14 0 "[ . 1 . 2]"
1 65 GLU 3.616 0.096 11 0 "[ . 1 . 2]"
1 66 ALA 1.947 0.097 17 0 "[ . 1 . 2]"
1 67 PHE 1.850 0.094 4 0 "[ . 1 . 2]"
1 68 GLN 2.038 0.100 14 0 "[ . 1 . 2]"
1 69 LYS 1.790 0.091 3 0 "[ . 1 . 2]"
1 80 THR 1.896 0.092 10 0 "[ . 1 . 2]"
1 82 GLU 20.271 1.041 6 20 [*****+-*************]
1 84 LYS 1.810 0.097 12 0 "[ . 1 . 2]"
1 85 THR 2.232 0.100 4 0 "[ . 1 . 2]"
1 86 THR 2.027 0.100 15 0 "[ . 1 . 2]"
1 87 TYR 2.277 0.099 15 0 "[ . 1 . 2]"
1 88 LEU 3.755 0.101 18 0 "[ . 1 . 2]"
1 89 GLU 4.268 0.100 4 0 "[ . 1 . 2]"
1 90 ARG 3.987 0.100 18 0 "[ . 1 . 2]"
1 91 LYS 4.535 0.099 15 0 "[ . 1 . 2]"
1 92 ALA 1.945 0.101 18 0 "[ . 1 . 2]"
1 93 GLU 2.036 0.099 4 0 "[ . 1 . 2]"
1 94 GLU 1.960 0.100 18 0 "[ . 1 . 2]"
1 95 ILE 2.259 0.094 12 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 17 LEU O 1 21 THR H . . 1.950 2.019 1.973 2.048 0.098 10 0 "[ . 1 . 2]" 2
2 1 17 LEU O 1 21 THR N . . 2.950 2.988 2.951 3.021 0.071 10 0 "[ . 1 . 2]" 2
3 1 18 GLU O 1 22 GLU H . . 1.950 2.044 2.018 2.050 0.100 17 0 "[ . 1 . 2]" 2
4 1 18 GLU O 1 22 GLU N . . 2.950 2.961 2.950 2.994 0.044 1 0 "[ . 1 . 2]" 2
5 1 19 GLN O 1 23 PHE H . . 1.950 2.028 1.986 2.048 0.098 7 0 "[ . 1 . 2]" 2
6 1 19 GLN O 1 23 PHE N . . 2.950 3.005 2.957 3.028 0.078 8 0 "[ . 1 . 2]" 2
7 1 20 LEU O 1 24 PHE H . . 1.950 2.028 2.005 2.044 0.094 2 0 "[ . 1 . 2]" 2
8 1 20 LEU O 1 24 PHE N . . 2.950 2.967 2.954 2.986 0.036 17 0 "[ . 1 . 2]" 2
9 1 21 THR O 1 25 SER H . . 1.950 2.003 1.972 2.041 0.091 13 0 "[ . 1 . 2]" 2
10 1 21 THR O 1 25 SER N . . 2.950 2.978 2.950 3.019 0.069 13 0 "[ . 1 . 2]" 2
11 1 61 SER O 1 65 GLU H . . 1.950 2.017 1.992 2.046 0.096 11 0 "[ . 1 . 2]" 2
12 1 61 SER O 1 65 GLU N . . 2.950 2.974 2.952 3.019 0.069 16 0 "[ . 1 . 2]" 2
13 1 62 GLU O 1 66 ALA H . . 1.950 2.023 1.994 2.047 0.097 17 0 "[ . 1 . 2]" 2
14 1 62 GLU O 1 66 ALA N . . 2.950 2.975 2.951 3.008 0.058 15 0 "[ . 1 . 2]" 2
15 1 63 GLU O 1 67 PHE H . . 1.950 2.015 1.986 2.044 0.094 4 0 "[ . 1 . 2]" 2
16 1 63 GLU O 1 67 PHE N . . 2.950 2.977 2.951 3.011 0.061 8 0 "[ . 1 . 2]" 2
17 1 64 ALA O 1 68 GLN H . . 1.950 2.047 2.040 2.050 0.100 14 0 "[ . 1 . 2]" 2
18 1 64 ALA O 1 68 GLN N . . 2.950 2.955 2.950 2.968 0.018 12 0 "[ . 1 . 2]" 2
19 1 65 GLU O 1 69 LYS H . . 1.950 2.021 1.995 2.041 0.091 3 0 "[ . 1 . 2]" 2
20 1 65 GLU O 1 69 LYS N . . 2.950 2.968 2.951 2.990 0.040 2 0 "[ . 1 . 2]" 2
21 1 84 LYS O 1 88 LEU H . . 1.950 2.017 1.980 2.047 0.097 12 0 "[ . 1 . 2]" 2
22 1 84 LYS O 1 88 LEU N . . 2.950 2.973 2.950 3.005 0.055 7 0 "[ . 1 . 2]" 2
23 1 85 THR O 1 89 GLU H . . 1.950 2.039 2.027 2.050 0.100 4 0 "[ . 1 . 2]" 2
24 1 85 THR O 1 89 GLU N . . 2.950 2.972 2.958 2.996 0.046 16 0 "[ . 1 . 2]" 2
25 1 86 THR O 1 90 ARG H . . 1.950 2.043 2.025 2.050 0.100 15 0 "[ . 1 . 2]" 2
26 1 86 THR O 1 90 ARG N . . 2.950 2.958 2.950 2.970 0.020 8 0 "[ . 1 . 2]" 2
27 1 87 TYR O 1 91 LYS H . . 1.950 2.022 1.991 2.049 0.099 15 0 "[ . 1 . 2]" 2
28 1 87 TYR O 1 91 LYS N . . 2.950 2.991 2.961 3.018 0.068 15 0 "[ . 1 . 2]" 2
29 1 88 LEU O 1 92 ALA H . . 1.950 2.044 2.028 2.051 0.101 18 0 "[ . 1 . 2]" 2
30 1 88 LEU O 1 92 ALA N . . 2.950 2.954 2.950 2.961 0.011 10 0 "[ . 1 . 2]" 2
31 1 89 GLU O 1 93 GLU H . . 1.950 2.039 2.016 2.049 0.099 4 0 "[ . 1 . 2]" 2
32 1 89 GLU O 1 93 GLU N . . 2.950 2.962 2.951 2.979 0.029 7 0 "[ . 1 . 2]" 2
33 1 90 ARG O 1 94 GLU H . . 1.950 2.041 2.028 2.050 0.100 18 0 "[ . 1 . 2]" 2
34 1 90 ARG O 1 94 GLU N . . 2.950 2.957 2.950 2.967 0.017 17 0 "[ . 1 . 2]" 2
35 1 91 LYS O 1 95 ILE H . . 1.950 2.022 1.986 2.044 0.094 12 0 "[ . 1 . 2]" 2
36 1 91 LYS O 1 95 ILE N . . 2.950 2.991 2.952 3.013 0.063 5 0 "[ . 1 . 2]" 2
37 1 6 VAL O 1 56 VAL H . . 1.950 2.021 1.987 2.043 0.093 13 0 "[ . 1 . 2]" 2
38 1 6 VAL O 1 56 VAL N . . 2.950 2.991 2.964 3.013 0.063 16 0 "[ . 1 . 2]" 2
39 1 6 VAL H 1 56 VAL O . . 1.950 2.026 1.995 2.042 0.092 4 0 "[ . 1 . 2]" 2
40 1 6 VAL N 1 56 VAL O . . 2.950 2.963 2.951 3.006 0.056 16 0 "[ . 1 . 2]" 2
41 1 7 TYR H 1 82 GLU O . . 2.150 3.164 3.150 3.191 1.041 6 20 [*****+-*************] 2
42 1 8 VAL H 1 54 VAL O . . 1.950 2.046 2.026 2.050 0.100 11 0 "[ . 1 . 2]" 2
43 1 8 VAL N 1 54 VAL O . . 2.950 3.020 3.000 3.028 0.078 1 0 "[ . 1 . 2]" 2
44 1 8 VAL O 1 54 VAL H . . 1.950 2.019 1.992 2.045 0.095 14 0 "[ . 1 . 2]" 2
45 1 8 VAL O 1 54 VAL N . . 2.950 2.975 2.952 3.003 0.053 14 0 "[ . 1 . 2]" 2
46 1 9 LYS H 1 80 THR O . . 1.950 2.019 1.996 2.042 0.092 10 0 "[ . 1 . 2]" 2
47 1 9 LYS N 1 80 THR O . . 2.950 2.976 2.950 3.006 0.056 1 0 "[ . 1 . 2]" 2
48 1 34 TRP O 1 55 PHE H . . 1.950 2.047 2.043 2.050 0.100 13 0 "[ . 1 . 2]" 2
49 1 34 TRP O 1 55 PHE N . . 2.950 2.955 2.950 2.968 0.018 11 0 "[ . 1 . 2]" 2
50 1 34 TRP H 1 55 PHE O . . 1.950 2.033 1.992 2.049 0.099 17 0 "[ . 1 . 2]" 2
51 1 34 TRP N 1 55 PHE O . . 2.950 3.006 2.964 3.024 0.074 17 0 "[ . 1 . 2]" 2
52 1 32 ALA O 1 57 VAL H . . 1.950 1.989 1.972 2.024 0.074 19 0 "[ . 1 . 2]" 2
53 1 32 ALA O 1 57 VAL N . . 2.950 2.966 2.950 3.001 0.051 19 0 "[ . 1 . 2]" 2
54 1 7 TYR O 1 82 GLU H . . 2.050 1.938 1.873 2.004 . 0 0 "[ . 1 . 2]" 2
55 1 7 TYR O 1 82 GLU N . . 3.050 2.915 2.852 2.981 . 0 0 "[ . 1 . 2]" 2
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