NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
373129 |
1dp3   |
4584 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1dp3
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 524
_Distance_constraint_stats_list.Viol_count 487
_Distance_constraint_stats_list.Viol_total 499.350
_Distance_constraint_stats_list.Viol_max 0.290
_Distance_constraint_stats_list.Viol_rms 0.0152
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0513
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LYS 0.007 0.007 8 0 "[ . 1 . 2]"
1 3 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLN 0.363 0.168 20 0 "[ . 1 . 2]"
1 5 ALA 0.367 0.168 20 0 "[ . 1 . 2]"
1 6 TYR 0.080 0.039 18 0 "[ . 1 . 2]"
1 7 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 SER 0.162 0.080 5 0 "[ . 1 . 2]"
1 9 ASP 1.454 0.133 5 0 "[ . 1 . 2]"
1 10 GLU 0.405 0.133 5 0 "[ . 1 . 2]"
1 11 ILE 0.027 0.027 18 0 "[ . 1 . 2]"
1 12 VAL 0.419 0.106 17 0 "[ . 1 . 2]"
1 13 TYR 0.108 0.053 7 0 "[ . 1 . 2]"
1 14 LYS 0.062 0.022 15 0 "[ . 1 . 2]"
1 15 ILE 0.936 0.162 12 0 "[ . 1 . 2]"
1 16 ASN 0.382 0.070 18 0 "[ . 1 . 2]"
1 17 LYS 0.314 0.051 18 0 "[ . 1 . 2]"
1 18 ILE 0.174 0.039 6 0 "[ . 1 . 2]"
1 19 VAL 0.924 0.070 18 0 "[ . 1 . 2]"
1 20 GLU 0.464 0.051 18 0 "[ . 1 . 2]"
1 21 ARG 0.519 0.073 19 0 "[ . 1 . 2]"
1 22 ARG 0.397 0.104 19 0 "[ . 1 . 2]"
1 23 ARG 1.363 0.111 17 0 "[ . 1 . 2]"
1 24 ALA 0.010 0.010 19 0 "[ . 1 . 2]"
1 25 GLU 4.163 0.177 13 0 "[ . 1 . 2]"
1 26 GLY 1.137 0.111 17 0 "[ . 1 . 2]"
1 27 ALA 1.014 0.159 19 0 "[ . 1 . 2]"
1 28 LYS 0.513 0.159 19 0 "[ . 1 . 2]"
1 29 SER 0.755 0.265 9 0 "[ . 1 . 2]"
1 30 THR 0.755 0.265 9 0 "[ . 1 . 2]"
1 31 ASP 0.111 0.030 6 0 "[ . 1 . 2]"
1 32 VAL 0.857 0.243 20 0 "[ . 1 . 2]"
1 33 SER 0.362 0.101 20 0 "[ . 1 . 2]"
1 34 PHE 0.005 0.004 16 0 "[ . 1 . 2]"
1 35 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ILE 1.218 0.243 20 0 "[ . 1 . 2]"
1 38 SER 0.053 0.032 20 0 "[ . 1 . 2]"
1 39 THR 0.113 0.049 14 0 "[ . 1 . 2]"
1 40 MET 0.579 0.078 18 0 "[ . 1 . 2]"
1 41 LEU 2.396 0.250 3 0 "[ . 1 . 2]"
1 42 LEU 1.252 0.118 18 0 "[ . 1 . 2]"
1 43 GLU 1.363 0.212 1 0 "[ . 1 . 2]"
1 44 LEU 0.754 0.084 18 0 "[ . 1 . 2]"
1 45 GLY 1.187 0.118 18 0 "[ . 1 . 2]"
1 46 LEU 0.195 0.134 7 0 "[ . 1 . 2]"
1 47 ARG 0.353 0.058 1 0 "[ . 1 . 2]"
1 48 VAL 0.146 0.049 15 0 "[ . 1 . 2]"
1 49 TYR 0.162 0.127 19 0 "[ . 1 . 2]"
1 50 GLU 5.765 0.290 17 0 "[ . 1 . 2]"
1 51 ALA 0.043 0.019 19 0 "[ . 1 . 2]"
1 52 GLN 1.474 0.178 8 0 "[ . 1 . 2]"
1 53 MET 0.164 0.034 18 0 "[ . 1 . 2]"
1 54 GLU 0.431 0.170 7 0 "[ . 1 . 2]"
1 55 ARG 0.353 0.170 7 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 ALA H1 1 1 ALA HA 3.000 . 4.000 2.615 2.264 2.971 . 0 0 "[ . 1 . 2]" 1
2 1 1 ALA H1 1 1 ALA MB 3.000 . 4.300 2.396 1.866 3.063 . 0 0 "[ . 1 . 2]" 1
3 1 1 ALA MB 1 2 LYS H 3.000 . 4.300 2.863 1.883 3.722 . 0 0 "[ . 1 . 2]" 1
4 1 2 LYS H 1 2 LYS HA 3.000 . 4.000 2.835 2.365 3.000 . 0 0 "[ . 1 . 2]" 1
5 1 2 LYS H 1 2 LYS HB2 3.000 . 4.000 2.647 1.979 3.964 . 0 0 "[ . 1 . 2]" 1
6 1 2 LYS H 1 2 LYS HB3 3.000 . 4.000 3.415 2.352 4.007 0.007 8 0 "[ . 1 . 2]" 1
7 1 2 LYS H 1 2 LYS QG 3.000 . 5.000 3.375 2.160 4.296 . 0 0 "[ . 1 . 2]" 1
8 1 2 LYS HA 1 3 VAL H 2.500 . 2.800 2.435 2.211 2.791 . 0 0 "[ . 1 . 2]" 1
9 1 3 VAL H 1 3 VAL HA 3.000 . 4.000 2.815 2.363 3.004 . 0 0 "[ . 1 . 2]" 1
10 1 3 VAL H 1 3 VAL HB 3.000 . 4.000 3.035 2.283 3.944 . 0 0 "[ . 1 . 2]" 1
11 1 3 VAL H 1 3 VAL QG 3.000 . 6.400 2.264 1.833 2.806 . 0 0 "[ . 1 . 2]" 1
12 1 4 GLN H 1 4 GLN HA 3.000 . 4.000 2.651 2.363 2.997 . 0 0 "[ . 1 . 2]" 1
13 1 4 GLN H 1 4 GLN HB2 3.000 . 4.000 3.029 2.104 4.001 0.001 8 0 "[ . 1 . 2]" 1
14 1 4 GLN H 1 4 GLN HB3 3.000 . 4.000 3.615 2.349 4.011 0.011 11 0 "[ . 1 . 2]" 1
15 1 4 GLN H 1 4 GLN HG2 3.000 . 4.000 2.997 2.128 4.002 0.002 20 0 "[ . 1 . 2]" 1
16 1 4 GLN H 1 4 GLN HG3 3.000 . 4.000 2.940 2.344 3.966 . 0 0 "[ . 1 . 2]" 1
17 1 4 GLN H 1 5 ALA H 4.000 . 6.000 4.491 2.589 4.704 . 0 0 "[ . 1 . 2]" 1
18 1 4 GLN HA 1 5 ALA H 2.500 . 2.800 2.596 2.367 2.968 0.168 20 0 "[ . 1 . 2]" 1
19 1 4 GLN HB2 1 5 ALA H 3.000 . 4.000 3.331 1.975 4.057 0.057 20 0 "[ . 1 . 2]" 1
20 1 4 GLN HB3 1 5 ALA H 3.000 . 4.000 2.691 1.919 4.113 0.113 20 0 "[ . 1 . 2]" 1
21 1 4 GLN QG 1 5 ALA H 4.000 . 7.000 3.920 2.939 4.550 . 0 0 "[ . 1 . 2]" 1
22 1 5 ALA H 1 5 ALA HA 3.000 . 4.000 2.758 2.365 3.003 . 0 0 "[ . 1 . 2]" 1
23 1 5 ALA H 1 5 ALA MB 3.000 . 4.300 2.672 2.243 2.853 . 0 0 "[ . 1 . 2]" 1
24 1 5 ALA H 1 6 TYR H 3.000 . 4.000 3.434 2.212 3.999 . 0 0 "[ . 1 . 2]" 1
25 1 5 ALA HA 1 6 TYR H 2.500 . 2.800 2.407 2.209 2.812 0.012 14 0 "[ . 1 . 2]" 1
26 1 5 ALA MB 1 6 TYR H 3.000 . 4.300 3.590 3.323 3.711 . 0 0 "[ . 1 . 2]" 1
27 1 6 TYR H 1 6 TYR HA 3.000 . 4.000 2.751 2.363 3.003 . 0 0 "[ . 1 . 2]" 1
28 1 6 TYR H 1 6 TYR HB2 3.000 . 4.000 2.760 1.984 3.952 . 0 0 "[ . 1 . 2]" 1
29 1 6 TYR H 1 6 TYR HB3 3.000 . 4.000 3.377 2.280 4.039 0.039 18 0 "[ . 1 . 2]" 1
30 1 6 TYR H 1 6 TYR QD 3.000 . 6.000 3.183 1.895 4.414 . 0 0 "[ . 1 . 2]" 1
31 1 6 TYR H 1 7 VAL QG 4.000 . 8.400 4.024 2.329 5.329 . 0 0 "[ . 1 . 2]" 1
32 1 6 TYR HA 1 7 VAL H 2.500 . 2.800 2.510 2.200 2.763 . 0 0 "[ . 1 . 2]" 1
33 1 6 TYR QB 1 7 VAL H 4.000 . 6.000 3.552 2.047 4.043 . 0 0 "[ . 1 . 2]" 1
34 1 6 TYR HB2 1 6 TYR QD 3.000 . 6.000 2.481 2.302 2.745 . 0 0 "[ . 1 . 2]" 1
35 1 6 TYR HB3 1 6 TYR QD 3.000 . 6.000 2.438 2.299 2.734 . 0 0 "[ . 1 . 2]" 1
36 1 7 VAL H 1 7 VAL HA 3.000 . 4.000 2.721 2.362 3.002 . 0 0 "[ . 1 . 2]" 1
37 1 7 VAL H 1 7 VAL QG 3.000 . 6.400 2.388 1.859 2.978 . 0 0 "[ . 1 . 2]" 1
38 1 7 VAL HA 1 8 SER H 3.000 . 4.000 2.704 2.218 3.585 . 0 0 "[ . 1 . 2]" 1
39 1 8 SER H 1 8 SER QB 3.000 . 5.000 2.557 2.008 3.452 . 0 0 "[ . 1 . 2]" 1
40 1 8 SER HA 1 9 ASP H 2.500 . 2.800 2.516 2.220 2.880 0.080 5 0 "[ . 1 . 2]" 1
41 1 8 SER QB 1 9 ASP H 3.000 . 5.000 3.002 1.882 4.001 . 0 0 "[ . 1 . 2]" 1
42 1 9 ASP H 1 9 ASP HA 2.500 . 2.800 2.840 2.685 2.889 0.089 18 0 "[ . 1 . 2]" 1
43 1 9 ASP H 1 9 ASP HB2 3.000 . 4.000 2.643 1.940 3.577 . 0 0 "[ . 1 . 2]" 1
44 1 9 ASP H 1 9 ASP HB3 3.000 . 4.000 2.946 2.370 3.522 . 0 0 "[ . 1 . 2]" 1
45 1 9 ASP H 1 10 GLU H 3.000 . 4.000 3.761 2.672 4.133 0.133 5 0 "[ . 1 . 2]" 1
46 1 9 ASP HA 1 10 GLU H 3.000 . 4.000 2.697 2.312 3.577 . 0 0 "[ . 1 . 2]" 1
47 1 9 ASP QB 1 10 GLU H 4.000 . 7.000 3.567 1.844 3.998 . 0 0 "[ . 1 . 2]" 1
48 1 10 GLU H 1 10 GLU HA 3.000 . 4.000 2.835 2.747 2.895 . 0 0 "[ . 1 . 2]" 1
49 1 10 GLU H 1 10 GLU HB2 4.000 . 6.000 2.494 1.946 3.533 . 0 0 "[ . 1 . 2]" 1
50 1 10 GLU H 1 10 GLU HB3 4.000 . 6.000 2.861 2.349 3.518 . 0 0 "[ . 1 . 2]" 1
51 1 10 GLU H 1 11 ILE H 3.000 . 4.000 2.925 2.609 4.027 0.027 18 0 "[ . 1 . 2]" 1
52 1 10 GLU HA 1 11 ILE H 4.000 . 6.000 3.338 2.425 3.585 . 0 0 "[ . 1 . 2]" 1
53 1 10 GLU HA 1 13 TYR H 3.000 . 4.000 3.778 3.360 4.001 0.001 9 0 "[ . 1 . 2]" 1
54 1 10 GLU HA 1 14 LYS H 4.000 . 6.000 5.133 4.306 6.002 0.002 16 0 "[ . 1 . 2]" 1
55 1 10 GLU QB 1 11 ILE H 3.000 . 5.000 3.248 2.465 3.961 . 0 0 "[ . 1 . 2]" 1
56 1 11 ILE H 1 11 ILE HA 3.000 . 4.000 2.851 2.803 2.954 . 0 0 "[ . 1 . 2]" 1
57 1 11 ILE H 1 11 ILE HB 3.000 . 4.000 2.438 2.159 3.527 . 0 0 "[ . 1 . 2]" 1
58 1 11 ILE H 1 11 ILE MD 4.000 . 6.300 3.609 3.268 3.859 . 0 0 "[ . 1 . 2]" 1
59 1 11 ILE H 1 11 ILE HG12 3.000 . 4.000 2.474 1.973 3.600 . 0 0 "[ . 1 . 2]" 1
60 1 11 ILE H 1 11 ILE HG13 3.000 . 4.000 3.222 2.190 3.751 . 0 0 "[ . 1 . 2]" 1
61 1 11 ILE H 1 11 ILE MG 4.000 . 6.300 3.446 1.930 3.688 . 0 0 "[ . 1 . 2]" 1
62 1 11 ILE HA 1 14 LYS H 3.000 . 4.000 3.247 2.990 3.708 . 0 0 "[ . 1 . 2]" 1
63 1 11 ILE HA 1 15 ILE H 4.000 . 6.000 4.077 3.192 4.956 . 0 0 "[ . 1 . 2]" 1
64 1 11 ILE MD 1 12 VAL H 4.000 . 6.300 4.508 3.289 4.906 . 0 0 "[ . 1 . 2]" 1
65 1 11 ILE MD 1 41 LEU QD 3.000 . 6.700 3.747 3.014 4.038 . 0 0 "[ . 1 . 2]" 1
66 1 11 ILE MG 1 12 VAL H 4.000 . 6.300 3.306 2.617 4.084 . 0 0 "[ . 1 . 2]" 1
67 1 11 ILE MG 1 34 PHE QE 4.000 . 8.300 4.806 3.223 5.696 . 0 0 "[ . 1 . 2]" 1
68 1 11 ILE MG 1 34 PHE HZ 4.000 . 6.300 4.677 3.063 5.305 . 0 0 "[ . 1 . 2]" 1
69 1 11 ILE MG 1 41 LEU QD 3.000 . 6.700 3.436 2.691 4.085 . 0 0 "[ . 1 . 2]" 1
70 1 12 VAL H 1 12 VAL HA 3.000 . 4.000 2.795 2.750 2.895 . 0 0 "[ . 1 . 2]" 1
71 1 12 VAL H 1 12 VAL HB 3.000 . 4.000 2.695 2.267 3.547 . 0 0 "[ . 1 . 2]" 1
72 1 12 VAL H 1 12 VAL QG 3.000 . 6.400 1.976 1.694 2.270 0.106 17 0 "[ . 1 . 2]" 1
73 1 12 VAL H 1 13 TYR H 3.000 . 4.000 2.927 2.562 3.098 . 0 0 "[ . 1 . 2]" 1
74 1 12 VAL HA 1 13 TYR H 3.000 . 4.000 3.567 3.498 3.593 . 0 0 "[ . 1 . 2]" 1
75 1 12 VAL HA 1 15 ILE H 3.000 . 4.000 3.820 3.532 4.011 0.011 19 0 "[ . 1 . 2]" 1
76 1 12 VAL HA 1 15 ILE QG 4.000 . 7.000 3.426 2.505 4.463 . 0 0 "[ . 1 . 2]" 1
77 1 12 VAL HA 1 15 ILE MG 4.000 . 6.300 4.423 3.965 5.096 . 0 0 "[ . 1 . 2]" 1
78 1 12 VAL HA 1 16 ASN H 4.000 . 6.000 4.417 3.609 5.011 . 0 0 "[ . 1 . 2]" 1
79 1 12 VAL HA 1 34 PHE QE 3.000 . 6.000 2.717 1.862 3.607 . 0 0 "[ . 1 . 2]" 1
80 1 12 VAL HA 1 34 PHE HZ 3.000 . 4.000 2.255 1.866 3.317 . 0 0 "[ . 1 . 2]" 1
81 1 12 VAL HB 1 13 TYR H 3.000 . 4.000 3.018 2.123 3.910 . 0 0 "[ . 1 . 2]" 1
82 1 12 VAL QG 1 13 TYR H 4.000 . 8.400 2.458 1.747 3.386 0.053 7 0 "[ . 1 . 2]" 1
83 1 12 VAL QG 1 16 ASN H 4.000 . 8.400 4.458 3.632 5.284 . 0 0 "[ . 1 . 2]" 1
84 1 12 VAL QG 1 16 ASN HD21 4.000 . 9.400 4.159 2.411 5.654 . 0 0 "[ . 1 . 2]" 1
85 1 12 VAL QG 1 16 ASN QD 3.000 . 7.400 3.651 2.025 4.577 . 0 0 "[ . 1 . 2]" 1
86 1 12 VAL QG 1 16 ASN HD22 4.000 . 9.400 4.282 2.127 5.744 . 0 0 "[ . 1 . 2]" 1
87 1 12 VAL QG 1 34 PHE QD 3.000 . 8.400 4.121 3.106 5.023 . 0 0 "[ . 1 . 2]" 1
88 1 12 VAL QG 1 34 PHE QE 3.000 . 8.400 2.677 1.796 3.445 0.004 16 0 "[ . 1 . 2]" 1
89 1 12 VAL QG 1 34 PHE HZ 3.000 . 6.400 2.296 1.800 3.295 0.000 10 0 "[ . 1 . 2]" 1
90 1 13 TYR H 1 13 TYR HA 3.000 . 4.000 2.882 2.827 2.900 . 0 0 "[ . 1 . 2]" 1
91 1 13 TYR H 1 13 TYR HB2 3.000 . 4.000 2.179 1.937 2.494 . 0 0 "[ . 1 . 2]" 1
92 1 13 TYR H 1 13 TYR HB3 3.000 . 4.000 2.808 2.385 3.524 . 0 0 "[ . 1 . 2]" 1
93 1 13 TYR H 1 13 TYR QD 3.000 . 6.000 3.813 2.158 4.133 . 0 0 "[ . 1 . 2]" 1
94 1 13 TYR H 1 15 ILE H 4.000 . 6.000 4.281 3.964 4.672 . 0 0 "[ . 1 . 2]" 1
95 1 13 TYR HA 1 13 TYR QD 2.500 . 4.800 2.470 1.900 3.021 . 0 0 "[ . 1 . 2]" 1
96 1 13 TYR HA 1 13 TYR QE 3.000 . 6.000 4.295 4.059 4.484 . 0 0 "[ . 1 . 2]" 1
97 1 13 TYR HA 1 14 LYS H 4.000 . 6.000 3.549 3.485 3.594 . 0 0 "[ . 1 . 2]" 1
98 1 13 TYR HA 1 16 ASN H 3.000 . 4.000 3.642 3.181 3.996 . 0 0 "[ . 1 . 2]" 1
99 1 13 TYR QB 1 14 LYS H 3.000 . 5.000 2.562 2.059 2.877 . 0 0 "[ . 1 . 2]" 1
100 1 13 TYR HB2 1 13 TYR QD 2.500 . 4.800 2.526 2.305 2.751 . 0 0 "[ . 1 . 2]" 1
101 1 13 TYR HB3 1 13 TYR QD 2.500 . 4.800 2.419 2.302 2.784 . 0 0 "[ . 1 . 2]" 1
102 1 13 TYR QD 1 14 LYS H 3.000 . 6.000 4.156 3.530 4.539 . 0 0 "[ . 1 . 2]" 1
103 1 13 TYR QD 1 14 LYS HA 3.000 . 6.000 4.331 3.509 5.790 . 0 0 "[ . 1 . 2]" 1
104 1 13 TYR QD 1 14 LYS QB 3.000 . 7.000 5.030 4.449 5.485 . 0 0 "[ . 1 . 2]" 1
105 1 13 TYR QE 1 14 LYS QB 4.000 . 9.000 6.857 6.260 7.335 . 0 0 "[ . 1 . 2]" 1
106 1 14 LYS H 1 14 LYS HA 3.000 . 4.000 2.862 2.739 2.905 . 0 0 "[ . 1 . 2]" 1
107 1 14 LYS H 1 14 LYS HB2 3.000 . 4.000 2.226 1.944 3.530 . 0 0 "[ . 1 . 2]" 1
108 1 14 LYS H 1 14 LYS HB3 3.000 . 4.000 2.909 2.293 3.535 . 0 0 "[ . 1 . 2]" 1
109 1 14 LYS H 1 14 LYS QG 3.000 . 5.000 3.508 2.114 3.951 . 0 0 "[ . 1 . 2]" 1
110 1 14 LYS H 1 15 ILE H 3.000 . 4.000 2.729 2.531 2.966 . 0 0 "[ . 1 . 2]" 1
111 1 14 LYS H 1 16 ASN H 4.000 . 6.000 4.210 3.708 4.923 . 0 0 "[ . 1 . 2]" 1
112 1 14 LYS H 1 17 LYS QD 3.000 . 5.000 4.241 3.666 4.527 . 0 0 "[ . 1 . 2]" 1
113 1 14 LYS HA 1 17 LYS H 3.000 . 4.000 3.816 3.097 4.022 0.022 15 0 "[ . 1 . 2]" 1
114 1 14 LYS QB 1 15 ILE H 4.000 . 7.000 2.551 2.159 3.363 . 0 0 "[ . 1 . 2]" 1
115 1 15 ILE H 1 15 ILE HA 3.000 . 4.000 2.870 2.757 2.927 . 0 0 "[ . 1 . 2]" 1
116 1 15 ILE H 1 15 ILE HB 3.000 . 4.000 2.464 2.390 2.569 . 0 0 "[ . 1 . 2]" 1
117 1 15 ILE H 1 15 ILE HG12 3.000 . 4.000 2.606 1.871 3.501 . 0 0 "[ . 1 . 2]" 1
118 1 15 ILE H 1 15 ILE HG13 3.000 . 4.000 2.488 1.859 3.408 . 0 0 "[ . 1 . 2]" 1
119 1 15 ILE H 1 15 ILE MG 4.000 . 6.300 3.709 3.699 3.724 . 0 0 "[ . 1 . 2]" 1
120 1 15 ILE H 1 16 ASN H 4.000 . 6.000 2.701 2.482 3.006 . 0 0 "[ . 1 . 2]" 1
121 1 15 ILE H 1 17 LYS H 4.000 . 6.000 4.330 3.826 4.993 . 0 0 "[ . 1 . 2]" 1
122 1 15 ILE HA 1 15 ILE MG 3.000 . 4.300 2.352 2.261 2.479 . 0 0 "[ . 1 . 2]" 1
123 1 15 ILE HA 1 16 ASN H 3.000 . 4.000 3.543 3.415 3.594 . 0 0 "[ . 1 . 2]" 1
124 1 15 ILE HA 1 18 ILE H 3.000 . 4.000 3.425 3.122 4.009 0.009 12 0 "[ . 1 . 2]" 1
125 1 15 ILE HA 1 37 ILE MG 4.000 . 6.300 3.333 2.743 3.912 . 0 0 "[ . 1 . 2]" 1
126 1 15 ILE HB 1 16 ASN H 3.000 . 4.000 2.575 2.048 3.202 . 0 0 "[ . 1 . 2]" 1
127 1 15 ILE HB 1 34 PHE QD 4.000 . 7.000 3.477 2.480 4.312 . 0 0 "[ . 1 . 2]" 1
128 1 15 ILE HB 1 34 PHE QE 3.000 . 6.000 2.325 1.862 3.271 . 0 0 "[ . 1 . 2]" 1
129 1 15 ILE MD 1 34 PHE QD 4.000 . 8.300 4.498 3.510 5.384 . 0 0 "[ . 1 . 2]" 1
130 1 15 ILE MD 1 41 LEU QD 2.500 . 5.500 2.128 1.638 2.831 0.162 12 0 "[ . 1 . 2]" 1
131 1 15 ILE MD 1 42 LEU QD 4.000 . 8.700 5.023 4.523 5.295 . 0 0 "[ . 1 . 2]" 1
132 1 15 ILE QG 1 16 ASN H 4.000 . 7.000 3.892 3.694 4.124 . 0 0 "[ . 1 . 2]" 1
133 1 15 ILE QG 1 34 PHE QD 4.000 . 9.000 4.951 3.977 5.857 . 0 0 "[ . 1 . 2]" 1
134 1 15 ILE QG 1 34 PHE QE 4.000 . 9.000 3.668 2.660 4.546 . 0 0 "[ . 1 . 2]" 1
135 1 15 ILE QG 1 34 PHE HZ 3.000 . 5.000 4.174 3.324 4.507 . 0 0 "[ . 1 . 2]" 1
136 1 15 ILE MG 1 16 ASN H 4.000 . 6.300 3.519 3.083 4.033 . 0 0 "[ . 1 . 2]" 1
137 1 15 ILE MG 1 16 ASN HA 4.000 . 6.300 3.732 3.236 4.137 . 0 0 "[ . 1 . 2]" 1
138 1 15 ILE MG 1 19 VAL QG 4.000 . 8.700 2.433 1.942 3.630 . 0 0 "[ . 1 . 2]" 1
139 1 15 ILE MG 1 34 PHE QB 4.000 . 7.300 4.165 3.560 4.949 . 0 0 "[ . 1 . 2]" 1
140 1 15 ILE MG 1 34 PHE QD 3.000 . 6.300 2.783 1.809 4.183 . 0 0 "[ . 1 . 2]" 1
141 1 15 ILE MG 1 34 PHE QE 4.000 . 8.300 2.947 1.814 4.080 . 0 0 "[ . 1 . 2]" 1
142 1 15 ILE MG 1 34 PHE HZ 4.000 . 6.300 4.102 3.165 4.880 . 0 0 "[ . 1 . 2]" 1
143 1 15 ILE MG 1 37 ILE MG 2.500 . 3.400 1.881 1.742 2.015 0.058 16 0 "[ . 1 . 2]" 1
144 1 16 ASN H 1 16 ASN HA 3.000 . 4.000 2.818 2.759 2.897 . 0 0 "[ . 1 . 2]" 1
145 1 16 ASN H 1 16 ASN HB2 3.000 . 4.000 2.125 1.940 2.678 . 0 0 "[ . 1 . 2]" 1
146 1 16 ASN H 1 16 ASN HB3 3.000 . 4.000 3.247 2.214 3.540 . 0 0 "[ . 1 . 2]" 1
147 1 16 ASN H 1 16 ASN QD 3.000 . 5.000 3.822 2.511 4.351 . 0 0 "[ . 1 . 2]" 1
148 1 16 ASN H 1 17 LYS H 3.000 . 4.000 2.831 2.557 3.109 . 0 0 "[ . 1 . 2]" 1
149 1 16 ASN HA 1 17 LYS H 3.000 . 4.000 3.554 3.483 3.592 . 0 0 "[ . 1 . 2]" 1
150 1 16 ASN HA 1 19 VAL H 3.000 . 4.000 3.711 3.070 4.056 0.056 18 0 "[ . 1 . 2]" 1
151 1 16 ASN HA 1 19 VAL HB 3.000 . 4.000 3.262 2.375 4.059 0.059 11 0 "[ . 1 . 2]" 1
152 1 16 ASN HA 1 19 VAL QG 3.000 . 6.400 2.706 1.730 3.759 0.070 18 0 "[ . 1 . 2]" 1
153 1 16 ASN HB2 1 16 ASN QD 3.000 . 5.000 2.610 2.225 3.396 . 0 0 "[ . 1 . 2]" 1
154 1 16 ASN HB2 1 17 LYS H 3.000 . 4.000 3.056 2.352 4.001 0.001 4 0 "[ . 1 . 2]" 1
155 1 16 ASN HB3 1 16 ASN QD 3.000 . 5.000 2.810 2.226 3.258 . 0 0 "[ . 1 . 2]" 1
156 1 16 ASN HB3 1 17 LYS H 3.000 . 4.000 3.042 2.290 3.687 . 0 0 "[ . 1 . 2]" 1
157 1 17 LYS H 1 17 LYS HA 3.000 . 4.000 2.867 2.764 2.918 . 0 0 "[ . 1 . 2]" 1
158 1 17 LYS H 1 17 LYS HB2 3.000 . 4.000 2.536 1.935 3.540 . 0 0 "[ . 1 . 2]" 1
159 1 17 LYS H 1 17 LYS HB3 3.000 . 4.000 3.200 2.262 3.537 . 0 0 "[ . 1 . 2]" 1
160 1 17 LYS H 1 17 LYS QD 3.000 . 5.000 2.892 1.984 3.666 . 0 0 "[ . 1 . 2]" 1
161 1 17 LYS H 1 17 LYS QG 3.000 . 5.000 2.523 1.951 3.471 . 0 0 "[ . 1 . 2]" 1
162 1 17 LYS H 1 18 ILE H 3.000 . 4.000 2.717 2.498 3.165 . 0 0 "[ . 1 . 2]" 1
163 1 17 LYS H 1 19 VAL H 4.000 . 6.000 4.383 4.038 5.002 . 0 0 "[ . 1 . 2]" 1
164 1 17 LYS HA 1 18 ILE H 3.000 . 4.000 3.541 3.485 3.593 . 0 0 "[ . 1 . 2]" 1
165 1 17 LYS HA 1 20 GLU H 3.000 . 4.000 3.912 3.449 4.051 0.051 18 0 "[ . 1 . 2]" 1
166 1 17 LYS HA 1 20 GLU QB 3.000 . 5.000 2.932 2.466 3.901 . 0 0 "[ . 1 . 2]" 1
167 1 17 LYS HA 1 21 ARG H 4.000 . 6.000 4.181 3.557 5.008 . 0 0 "[ . 1 . 2]" 1
168 1 17 LYS HB2 1 18 ILE H 3.000 . 4.000 2.986 2.150 4.039 0.039 6 0 "[ . 1 . 2]" 1
169 1 17 LYS HB3 1 18 ILE H 3.000 . 4.000 3.463 1.988 4.032 0.032 16 0 "[ . 1 . 2]" 1
170 1 18 ILE H 1 18 ILE HA 3.000 . 4.000 2.867 2.761 2.938 . 0 0 "[ . 1 . 2]" 1
171 1 18 ILE H 1 18 ILE HB 2.500 . 2.800 2.350 2.076 2.577 . 0 0 "[ . 1 . 2]" 1
172 1 18 ILE H 1 18 ILE MD 3.000 . 4.300 3.049 1.838 3.551 . 0 0 "[ . 1 . 2]" 1
173 1 18 ILE H 1 18 ILE QG 3.000 . 5.000 2.277 1.849 3.968 . 0 0 "[ . 1 . 2]" 1
174 1 18 ILE H 1 18 ILE MG 4.000 . 6.300 3.641 2.647 3.717 . 0 0 "[ . 1 . 2]" 1
175 1 18 ILE H 1 19 VAL H 3.000 . 4.000 2.748 2.409 3.056 . 0 0 "[ . 1 . 2]" 1
176 1 18 ILE HA 1 21 ARG H 3.000 . 4.000 3.827 3.523 4.019 0.019 19 0 "[ . 1 . 2]" 1
177 1 18 ILE HA 1 22 ARG H 4.000 . 6.000 4.936 4.057 5.877 . 0 0 "[ . 1 . 2]" 1
178 1 18 ILE HB 1 19 VAL H 3.000 . 4.000 2.459 2.104 3.565 . 0 0 "[ . 1 . 2]" 1
179 1 18 ILE MD 1 49 TYR QD 3.000 . 6.300 4.112 2.119 4.734 . 0 0 "[ . 1 . 2]" 1
180 1 18 ILE MD 1 49 TYR QE 3.000 . 6.300 2.883 2.026 4.108 . 0 0 "[ . 1 . 2]" 1
181 1 18 ILE QG 1 49 TYR QD 4.000 . 8.300 4.854 3.115 6.115 . 0 0 "[ . 1 . 2]" 1
182 1 18 ILE QG 1 49 TYR QE 4.000 . 8.300 3.568 1.915 5.749 . 0 0 "[ . 1 . 2]" 1
183 1 18 ILE MG 1 19 VAL H 4.000 . 6.300 3.133 1.782 3.773 0.018 12 0 "[ . 1 . 2]" 1
184 1 18 ILE MG 1 49 TYR QE 3.000 . 6.300 3.384 2.350 4.329 . 0 0 "[ . 1 . 2]" 1
185 1 19 VAL H 1 19 VAL HA 3.000 . 4.000 2.852 2.774 2.894 . 0 0 "[ . 1 . 2]" 1
186 1 19 VAL H 1 19 VAL HB 3.000 . 4.000 2.640 2.169 3.537 . 0 0 "[ . 1 . 2]" 1
187 1 19 VAL H 1 19 VAL MG1 4.000 . 6.300 3.562 2.437 3.703 . 0 0 "[ . 1 . 2]" 1
188 1 19 VAL H 1 19 VAL MG2 4.000 . 6.300 1.967 1.775 2.570 0.025 18 0 "[ . 1 . 2]" 1
189 1 19 VAL H 1 37 ILE MD 4.000 . 6.300 4.465 3.690 5.078 . 0 0 "[ . 1 . 2]" 1
190 1 19 VAL HA 1 19 VAL QG 2.500 . 5.300 2.073 1.940 2.183 . 0 0 "[ . 1 . 2]" 1
191 1 19 VAL HA 1 20 GLU H 4.000 . 6.000 3.581 3.558 3.593 . 0 0 "[ . 1 . 2]" 1
192 1 19 VAL HA 1 22 ARG H 4.000 . 6.000 3.709 3.308 4.146 . 0 0 "[ . 1 . 2]" 1
193 1 19 VAL HA 1 23 ARG H 4.000 . 6.000 5.235 4.342 5.868 . 0 0 "[ . 1 . 2]" 1
194 1 19 VAL HA 1 37 ILE H 4.000 . 6.000 5.644 5.108 6.044 0.044 19 0 "[ . 1 . 2]" 1
195 1 19 VAL HA 1 37 ILE MD 4.000 . 6.300 3.153 2.805 3.589 . 0 0 "[ . 1 . 2]" 1
196 1 19 VAL HB 1 20 GLU H 2.500 . 2.800 2.295 2.051 2.735 . 0 0 "[ . 1 . 2]" 1
197 1 19 VAL HB 1 37 ILE H 4.000 . 6.000 6.014 5.963 6.070 0.070 4 0 "[ . 1 . 2]" 1
198 1 19 VAL HB 1 37 ILE MD 4.000 . 6.300 5.139 4.799 5.234 . 0 0 "[ . 1 . 2]" 1
199 1 19 VAL QG 1 21 ARG H 4.000 . 8.400 4.454 3.584 4.968 . 0 0 "[ . 1 . 2]" 1
200 1 19 VAL QG 1 23 ARG HE 4.000 . 8.400 5.176 4.558 6.244 . 0 0 "[ . 1 . 2]" 1
201 1 19 VAL QG 1 37 ILE H 4.000 . 8.400 3.050 2.913 3.402 . 0 0 "[ . 1 . 2]" 1
202 1 19 VAL QG 1 37 ILE MD 2.500 . 5.500 2.842 2.534 3.105 . 0 0 "[ . 1 . 2]" 1
203 1 19 VAL QG 1 38 SER H 4.000 . 8.400 3.940 3.309 4.893 . 0 0 "[ . 1 . 2]" 1
204 1 19 VAL MG1 1 20 GLU H 3.000 . 4.300 3.373 1.951 3.809 . 0 0 "[ . 1 . 2]" 1
205 1 19 VAL MG2 1 20 GLU H 3.000 . 4.300 3.391 1.758 3.757 0.042 18 0 "[ . 1 . 2]" 1
206 1 20 GLU H 1 20 GLU HA 2.500 . 2.800 2.793 2.735 2.851 0.051 4 0 "[ . 1 . 2]" 1
207 1 20 GLU H 1 20 GLU QB 2.500 . 3.800 2.117 1.930 2.436 . 0 0 "[ . 1 . 2]" 1
208 1 20 GLU HA 1 21 ARG H 3.000 . 4.000 3.565 3.497 3.600 . 0 0 "[ . 1 . 2]" 1
209 1 20 GLU HA 1 23 ARG H 3.000 . 4.000 3.746 3.411 4.020 0.020 19 0 "[ . 1 . 2]" 1
210 1 20 GLU HA 1 24 ALA H 4.000 2.800 6.000 3.975 3.507 5.018 . 0 0 "[ . 1 . 2]" 1
211 1 20 GLU QB 1 21 ARG H 3.000 . 5.000 2.581 2.079 3.561 . 0 0 "[ . 1 . 2]" 1
212 1 21 ARG H 1 21 ARG QB 2.500 . 3.800 2.084 1.933 2.356 . 0 0 "[ . 1 . 2]" 1
213 1 21 ARG H 1 22 ARG H 3.000 . 4.000 2.935 2.585 3.105 . 0 0 "[ . 1 . 2]" 1
214 1 21 ARG HA 1 22 ARG H 3.000 . 4.000 3.576 3.514 3.595 . 0 0 "[ . 1 . 2]" 1
215 1 21 ARG HA 1 24 ALA H 3.000 . 4.000 3.556 3.062 3.878 . 0 0 "[ . 1 . 2]" 1
216 1 21 ARG HA 1 24 ALA MB 3.000 . 4.300 2.072 1.790 2.393 0.010 19 0 "[ . 1 . 2]" 1
217 1 21 ARG HA 1 25 GLU H 3.000 . 4.000 4.016 3.886 4.073 0.073 19 0 "[ . 1 . 2]" 1
218 1 21 ARG QB 1 22 ARG H 3.000 . 5.000 2.448 2.093 2.768 . 0 0 "[ . 1 . 2]" 1
219 1 22 ARG H 1 22 ARG QB 3.000 . 5.000 2.121 1.942 2.532 . 0 0 "[ . 1 . 2]" 1
220 1 22 ARG H 1 23 ARG H 3.000 . 4.000 3.107 2.905 3.342 . 0 0 "[ . 1 . 2]" 1
221 1 22 ARG H 1 24 ALA H 4.000 2.800 6.000 4.235 3.674 4.793 . 0 0 "[ . 1 . 2]" 1
222 1 22 ARG H 1 32 VAL QG 4.000 . 8.400 4.295 3.294 5.957 . 0 0 "[ . 1 . 2]" 1
223 1 22 ARG HA 1 25 GLU H 3.000 . 4.000 3.969 3.766 4.104 0.104 19 0 "[ . 1 . 2]" 1
224 1 22 ARG QB 1 23 ARG H 3.000 . 5.000 2.225 1.907 2.569 . 0 0 "[ . 1 . 2]" 1
225 1 23 ARG H 1 23 ARG QB 2.500 . 3.800 2.131 1.934 2.446 . 0 0 "[ . 1 . 2]" 1
226 1 23 ARG H 1 23 ARG QG 4.000 . 7.000 3.261 1.863 3.974 . 0 0 "[ . 1 . 2]" 1
227 1 23 ARG H 1 24 ALA H 3.000 . 4.000 2.697 2.503 2.832 . 0 0 "[ . 1 . 2]" 1
228 1 23 ARG H 1 25 GLU H 4.000 2.800 6.000 4.118 3.738 4.607 . 0 0 "[ . 1 . 2]" 1
229 1 23 ARG HA 1 26 GLY H 2.500 . 2.800 2.846 2.622 2.911 0.111 17 0 "[ . 1 . 2]" 1
230 1 23 ARG HA 1 27 ALA H 3.000 . 4.000 2.577 1.820 4.093 0.093 20 0 "[ . 1 . 2]" 1
231 1 23 ARG QB 1 23 ARG HE 3.000 . 5.000 2.856 1.889 4.073 . 0 0 "[ . 1 . 2]" 1
232 1 23 ARG QB 1 24 ALA H 3.000 . 5.000 2.631 2.194 3.552 . 0 0 "[ . 1 . 2]" 1
233 1 23 ARG HD2 1 23 ARG HE 3.000 . 4.000 2.755 2.382 3.006 . 0 0 "[ . 1 . 2]" 1
234 1 23 ARG HD3 1 23 ARG HE 3.000 . 4.000 2.760 2.354 2.994 . 0 0 "[ . 1 . 2]" 1
235 1 23 ARG HE 1 23 ARG QG 3.000 . 5.000 2.571 1.990 3.222 . 0 0 "[ . 1 . 2]" 1
236 1 24 ALA H 1 24 ALA MB 3.000 . 4.300 2.052 1.909 2.171 . 0 0 "[ . 1 . 2]" 1
237 1 24 ALA H 1 25 GLU H 3.000 . 4.000 2.840 2.482 2.950 . 0 0 "[ . 1 . 2]" 1
238 1 24 ALA HA 1 25 GLU H 4.000 . 6.000 3.531 3.442 3.584 . 0 0 "[ . 1 . 2]" 1
239 1 24 ALA MB 1 25 GLU H 3.000 . 4.300 2.662 2.374 3.046 . 0 0 "[ . 1 . 2]" 1
240 1 25 GLU H 1 25 GLU HA 2.500 . 2.800 2.928 2.896 2.975 0.175 17 0 "[ . 1 . 2]" 1
241 1 25 GLU H 1 25 GLU QB 2.500 . 3.800 2.193 1.980 2.701 . 0 0 "[ . 1 . 2]" 1
242 1 25 GLU H 1 25 GLU HG2 3.000 . 4.000 3.225 2.115 4.027 0.027 13 0 "[ . 1 . 2]" 1
243 1 25 GLU H 1 25 GLU HG3 3.000 . 4.000 3.322 2.286 4.177 0.177 13 0 "[ . 1 . 2]" 1
244 1 25 GLU H 1 26 GLY H 3.000 . 4.000 2.334 2.041 2.500 . 0 0 "[ . 1 . 2]" 1
245 1 25 GLU H 1 27 ALA H 3.000 . 4.000 3.905 3.618 4.114 0.114 19 0 "[ . 1 . 2]" 1
246 1 25 GLU HA 1 26 GLY H 3.000 . 4.000 3.494 3.354 3.546 . 0 0 "[ . 1 . 2]" 1
247 1 25 GLU HB2 1 26 GLY H 4.000 . 6.000 3.457 2.872 4.426 . 0 0 "[ . 1 . 2]" 1
248 1 25 GLU HB3 1 26 GLY H 4.000 . 6.000 3.666 2.949 4.211 . 0 0 "[ . 1 . 2]" 1
249 1 26 GLY H 1 26 GLY QA 2.500 . 3.800 2.375 2.242 2.475 . 0 0 "[ . 1 . 2]" 1
250 1 26 GLY H 1 27 ALA H 2.500 . 2.800 2.208 1.873 2.667 . 0 0 "[ . 1 . 2]" 1
251 1 26 GLY QA 1 27 ALA H 3.000 . 5.000 2.739 2.509 2.915 . 0 0 "[ . 1 . 2]" 1
252 1 27 ALA H 1 27 ALA MB 3.000 . 4.300 2.114 1.966 2.326 . 0 0 "[ . 1 . 2]" 1
253 1 27 ALA H 1 28 LYS H 4.000 . 6.000 4.177 2.806 4.685 . 0 0 "[ . 1 . 2]" 1
254 1 27 ALA HA 1 28 LYS H 2.500 . 2.800 2.658 2.234 2.959 0.159 19 0 "[ . 1 . 2]" 1
255 1 27 ALA MB 1 28 LYS H 3.000 . 4.300 2.690 1.927 3.676 . 0 0 "[ . 1 . 2]" 1
256 1 28 LYS H 1 28 LYS HA 3.000 . 4.000 2.920 2.771 3.001 . 0 0 "[ . 1 . 2]" 1
257 1 28 LYS H 1 28 LYS HB2 3.000 . 4.000 3.206 2.388 3.980 . 0 0 "[ . 1 . 2]" 1
258 1 28 LYS H 1 28 LYS HB3 3.000 . 4.000 3.458 3.030 3.902 . 0 0 "[ . 1 . 2]" 1
259 1 28 LYS H 1 28 LYS HG2 4.000 . 6.300 3.900 1.891 5.266 . 0 0 "[ . 1 . 2]" 1
260 1 28 LYS H 1 28 LYS HG3 4.000 . 6.300 3.967 2.273 5.195 . 0 0 "[ . 1 . 2]" 1
261 1 28 LYS H 1 31 ASP QB 4.000 . 7.000 6.006 4.802 6.333 . 0 0 "[ . 1 . 2]" 1
262 1 28 LYS HA 1 29 SER H 4.000 . 6.000 3.112 2.225 3.588 . 0 0 "[ . 1 . 2]" 1
263 1 28 LYS QB 1 30 THR H 4.000 . 7.000 5.348 2.592 6.281 . 0 0 "[ . 1 . 2]" 1
264 1 29 SER H 1 29 SER HA 3.000 . 4.000 2.796 2.360 2.995 . 0 0 "[ . 1 . 2]" 1
265 1 29 SER H 1 29 SER QB 3.000 . 5.000 2.667 1.989 3.421 . 0 0 "[ . 1 . 2]" 1
266 1 29 SER H 1 30 THR H 4.000 . 6.000 3.961 2.300 4.706 . 0 0 "[ . 1 . 2]" 1
267 1 29 SER HA 1 30 THR H 2.500 . 2.800 2.604 2.226 3.065 0.265 9 0 "[ . 1 . 2]" 1
268 1 29 SER HA 1 31 ASP H 4.000 . 6.000 3.844 3.167 4.373 . 0 0 "[ . 1 . 2]" 1
269 1 29 SER HB2 1 30 THR H 4.000 . 6.000 3.895 2.777 4.477 . 0 0 "[ . 1 . 2]" 1
270 1 29 SER HB3 1 30 THR H 4.000 . 6.000 3.458 1.870 4.648 . 0 0 "[ . 1 . 2]" 1
271 1 30 THR H 1 30 THR HA 3.000 . 4.000 2.946 2.872 2.994 . 0 0 "[ . 1 . 2]" 1
272 1 30 THR H 1 30 THR MG 3.000 . 4.300 2.739 1.911 3.705 . 0 0 "[ . 1 . 2]" 1
273 1 30 THR H 1 31 ASP H 3.000 . 4.000 2.810 2.011 3.529 . 0 0 "[ . 1 . 2]" 1
274 1 30 THR HA 1 31 ASP H 3.000 . 4.000 3.108 2.750 3.528 . 0 0 "[ . 1 . 2]" 1
275 1 31 ASP H 1 31 ASP HA 3.000 . 4.000 2.885 2.779 2.986 . 0 0 "[ . 1 . 2]" 1
276 1 31 ASP H 1 31 ASP HB2 3.000 . 4.000 2.382 1.954 3.556 . 0 0 "[ . 1 . 2]" 1
277 1 31 ASP H 1 31 ASP HB3 3.000 . 4.000 2.848 2.232 3.507 . 0 0 "[ . 1 . 2]" 1
278 1 31 ASP H 1 32 VAL H 2.500 . 2.800 2.606 2.092 2.830 0.030 6 0 "[ . 1 . 2]" 1
279 1 31 ASP QB 1 32 VAL H 3.000 . 5.000 3.037 2.360 3.933 . 0 0 "[ . 1 . 2]" 1
280 1 32 VAL H 1 32 VAL HA 3.000 . 4.000 2.902 2.771 3.002 . 0 0 "[ . 1 . 2]" 1
281 1 32 VAL H 1 32 VAL HB 3.000 . 4.000 2.559 2.098 3.533 . 0 0 "[ . 1 . 2]" 1
282 1 32 VAL H 1 32 VAL QG 3.000 . 6.400 2.205 1.754 2.850 0.046 17 0 "[ . 1 . 2]" 1
283 1 32 VAL H 1 33 SER H 4.000 . 6.000 4.586 4.382 4.703 . 0 0 "[ . 1 . 2]" 1
284 1 32 VAL H 1 37 ILE QG 4.000 . 7.000 5.863 4.667 6.260 . 0 0 "[ . 1 . 2]" 1
285 1 32 VAL HA 1 33 SER H 2.500 . 2.800 2.420 2.242 2.901 0.101 20 0 "[ . 1 . 2]" 1
286 1 32 VAL QG 1 33 SER H 3.000 . 6.400 2.184 1.715 2.885 0.085 19 0 "[ . 1 . 2]" 1
287 1 32 VAL QG 1 34 PHE QD 4.000 . 10.400 6.357 5.728 6.602 . 0 0 "[ . 1 . 2]" 1
288 1 32 VAL QG 1 37 ILE H 3.000 . 6.400 3.887 2.587 4.613 . 0 0 "[ . 1 . 2]" 1
289 1 32 VAL QG 1 37 ILE HA 4.000 . 8.400 4.485 3.492 5.390 . 0 0 "[ . 1 . 2]" 1
290 1 32 VAL QG 1 37 ILE MD 2.500 . 5.500 2.441 1.557 3.234 0.243 20 0 "[ . 1 . 2]" 1
291 1 33 SER H 1 33 SER HA 3.000 . 4.000 2.893 2.818 2.977 . 0 0 "[ . 1 . 2]" 1
292 1 33 SER H 1 36 SER H 3.000 . 4.000 3.699 3.353 3.995 . 0 0 "[ . 1 . 2]" 1
293 1 33 SER H 1 37 ILE MD 4.000 . 6.300 3.823 1.824 4.436 . 0 0 "[ . 1 . 2]" 1
294 1 33 SER H 1 37 ILE MG 4.000 . 6.300 5.162 4.607 5.343 . 0 0 "[ . 1 . 2]" 1
295 1 34 PHE H 1 34 PHE HA 3.000 . 4.000 2.803 2.757 2.895 . 0 0 "[ . 1 . 2]" 1
296 1 34 PHE H 1 34 PHE QB 3.000 . 5.000 2.162 2.111 2.196 . 0 0 "[ . 1 . 2]" 1
297 1 34 PHE H 1 34 PHE QD 4.000 . 8.000 4.108 4.046 4.148 . 0 0 "[ . 1 . 2]" 1
298 1 34 PHE H 1 35 SER H 4.000 . 6.000 3.027 2.788 3.243 . 0 0 "[ . 1 . 2]" 1
299 1 34 PHE QB 1 34 PHE QD 2.500 . 4.300 2.186 2.149 2.354 . 0 0 "[ . 1 . 2]" 1
300 1 34 PHE QB 1 35 SER H 3.000 . 5.000 2.145 1.856 2.604 . 0 0 "[ . 1 . 2]" 1
301 1 34 PHE QB 1 37 ILE H 4.000 . 7.000 5.145 4.699 5.611 . 0 0 "[ . 1 . 2]" 1
302 1 34 PHE QD 1 35 SER H 3.000 . 6.000 3.183 2.476 3.941 . 0 0 "[ . 1 . 2]" 1
303 1 34 PHE QD 1 35 SER HA 3.000 . 6.000 3.415 2.587 4.492 . 0 0 "[ . 1 . 2]" 1
304 1 34 PHE QE 1 35 SER HA 3.000 . 6.000 4.638 3.946 5.328 . 0 0 "[ . 1 . 2]" 1
305 1 35 SER H 1 35 SER HA 3.000 . 4.000 2.817 2.737 2.912 . 0 0 "[ . 1 . 2]" 1
306 1 35 SER H 1 35 SER QB 3.000 . 5.000 2.224 1.972 2.716 . 0 0 "[ . 1 . 2]" 1
307 1 35 SER H 1 36 SER H 3.000 . 4.000 2.800 2.559 3.033 . 0 0 "[ . 1 . 2]" 1
308 1 35 SER HA 1 38 SER H 4.000 . 6.000 3.808 3.536 4.185 . 0 0 "[ . 1 . 2]" 1
309 1 36 SER H 1 36 SER HA 3.000 . 4.000 2.902 2.853 2.928 . 0 0 "[ . 1 . 2]" 1
310 1 36 SER H 1 36 SER HB2 3.000 . 4.000 2.467 1.960 3.462 . 0 0 "[ . 1 . 2]" 1
311 1 36 SER H 1 36 SER HB3 3.000 . 4.000 2.863 2.028 3.552 . 0 0 "[ . 1 . 2]" 1
312 1 36 SER HA 1 37 ILE H 3.000 . 4.000 3.586 3.560 3.599 . 0 0 "[ . 1 . 2]" 1
313 1 36 SER QB 1 37 ILE H 3.000 . 5.000 2.373 1.934 3.193 . 0 0 "[ . 1 . 2]" 1
314 1 37 ILE H 1 37 ILE HA 3.000 . 4.000 2.865 2.790 2.911 . 0 0 "[ . 1 . 2]" 1
315 1 37 ILE H 1 37 ILE HB 2.500 . 2.800 2.237 1.874 2.355 . 0 0 "[ . 1 . 2]" 1
316 1 37 ILE H 1 37 ILE MD 3.000 . 4.300 3.358 1.853 3.623 . 0 0 "[ . 1 . 2]" 1
317 1 37 ILE H 1 37 ILE HG12 3.000 . 4.000 2.393 2.023 4.051 0.051 20 0 "[ . 1 . 2]" 1
318 1 37 ILE H 1 37 ILE HG13 3.000 . 4.000 3.554 3.327 4.096 0.096 20 0 "[ . 1 . 2]" 1
319 1 37 ILE H 1 37 ILE MG 4.000 . 6.300 3.653 3.304 3.697 . 0 0 "[ . 1 . 2]" 1
320 1 37 ILE H 1 38 SER H 2.500 . 2.800 2.673 2.508 2.832 0.032 20 0 "[ . 1 . 2]" 1
321 1 37 ILE HA 1 37 ILE MD 2.500 . 3.500 1.965 1.854 2.222 . 0 0 "[ . 1 . 2]" 1
322 1 37 ILE HA 1 38 SER H 3.000 . 4.000 3.518 3.391 3.589 . 0 0 "[ . 1 . 2]" 1
323 1 37 ILE HA 1 40 MET H 3.000 . 4.000 3.908 3.612 4.078 0.078 18 0 "[ . 1 . 2]" 1
324 1 37 ILE HB 1 38 SER H 3.000 . 4.000 2.852 2.334 3.294 . 0 0 "[ . 1 . 2]" 1
325 1 37 ILE MD 1 40 MET ME 3.000 . 4.600 2.516 1.785 2.914 0.015 16 0 "[ . 1 . 2]" 1
326 1 37 ILE QG 1 38 SER H 3.000 . 5.000 4.223 3.982 4.531 . 0 0 "[ . 1 . 2]" 1
327 1 37 ILE MG 1 38 SER H 4.000 . 6.300 3.391 2.495 3.799 . 0 0 "[ . 1 . 2]" 1
328 1 38 SER H 1 38 SER HA 3.000 . 4.000 2.879 2.783 2.912 . 0 0 "[ . 1 . 2]" 1
329 1 38 SER H 1 38 SER HB2 3.000 . 4.000 2.592 1.961 3.536 . 0 0 "[ . 1 . 2]" 1
330 1 38 SER H 1 38 SER HB3 3.000 . 4.000 2.716 2.047 3.532 . 0 0 "[ . 1 . 2]" 1
331 1 38 SER H 1 39 THR H 3.000 . 4.000 2.829 2.594 3.287 . 0 0 "[ . 1 . 2]" 1
332 1 38 SER H 1 39 THR HA 4.000 . 6.000 5.422 5.237 5.732 . 0 0 "[ . 1 . 2]" 1
333 1 38 SER HA 1 39 THR H 3.000 . 4.000 3.577 3.533 3.590 . 0 0 "[ . 1 . 2]" 1
334 1 38 SER HA 1 40 MET H 4.000 . 6.000 4.598 3.865 5.187 . 0 0 "[ . 1 . 2]" 1
335 1 38 SER HA 1 41 LEU H 3.000 . 4.000 3.562 3.300 3.975 . 0 0 "[ . 1 . 2]" 1
336 1 38 SER QB 1 42 LEU QD 4.000 . 9.400 5.125 3.904 6.162 . 0 0 "[ . 1 . 2]" 1
337 1 38 SER HB2 1 39 THR H 3.000 . 4.000 3.219 2.204 3.958 . 0 0 "[ . 1 . 2]" 1
338 1 38 SER HB3 1 39 THR H 3.000 . 4.000 2.724 1.917 3.812 . 0 0 "[ . 1 . 2]" 1
339 1 39 THR H 1 39 THR HA 3.000 . 4.000 2.785 2.747 2.799 . 0 0 "[ . 1 . 2]" 1
340 1 39 THR H 1 39 THR HB 2.500 . 2.800 2.444 2.207 2.801 0.001 17 0 "[ . 1 . 2]" 1
341 1 39 THR H 1 39 THR MG 4.000 . 6.300 3.378 1.942 3.719 . 0 0 "[ . 1 . 2]" 1
342 1 39 THR H 1 40 MET H 3.000 . 4.000 3.010 2.856 3.257 . 0 0 "[ . 1 . 2]" 1
343 1 39 THR H 1 41 LEU H 4.000 . 6.000 4.297 3.854 5.160 . 0 0 "[ . 1 . 2]" 1
344 1 39 THR H 1 42 LEU QD 4.000 . 8.400 5.593 4.887 6.073 . 0 0 "[ . 1 . 2]" 1
345 1 39 THR HA 1 40 MET H 3.000 . 4.000 3.576 3.488 3.605 . 0 0 "[ . 1 . 2]" 1
346 1 39 THR HA 1 42 LEU H 3.000 . 4.000 3.782 3.332 4.007 0.007 9 0 "[ . 1 . 2]" 1
347 1 39 THR HB 1 40 MET H 3.000 . 4.000 2.670 1.872 3.964 . 0 0 "[ . 1 . 2]" 1
348 1 39 THR MG 1 40 MET H 4.000 . 6.300 2.875 1.751 3.890 0.049 14 0 "[ . 1 . 2]" 1
349 1 40 MET H 1 40 MET HA 3.000 . 4.000 2.841 2.771 2.905 . 0 0 "[ . 1 . 2]" 1
350 1 40 MET H 1 40 MET QB 2.500 . 3.800 2.244 1.945 2.488 . 0 0 "[ . 1 . 2]" 1
351 1 40 MET H 1 40 MET ME 4.000 . 6.300 4.477 4.154 5.179 . 0 0 "[ . 1 . 2]" 1
352 1 40 MET H 1 40 MET HG2 3.000 . 4.000 2.853 1.972 3.896 . 0 0 "[ . 1 . 2]" 1
353 1 40 MET H 1 40 MET HG3 3.000 . 4.000 2.967 1.866 4.016 0.016 17 0 "[ . 1 . 2]" 1
354 1 40 MET H 1 41 LEU H 3.000 . 4.000 2.770 2.539 3.156 . 0 0 "[ . 1 . 2]" 1
355 1 40 MET H 1 42 LEU H 4.000 . 6.000 4.622 4.019 5.109 . 0 0 "[ . 1 . 2]" 1
356 1 40 MET HA 1 40 MET QG 3.000 . 5.000 3.126 1.929 3.452 . 0 0 "[ . 1 . 2]" 1
357 1 40 MET HA 1 41 LEU H 3.000 . 4.000 3.541 3.489 3.596 . 0 0 "[ . 1 . 2]" 1
358 1 40 MET HA 1 43 GLU H 3.000 . 4.000 3.724 3.539 4.006 0.006 4 0 "[ . 1 . 2]" 1
359 1 40 MET HB2 1 40 MET ME 4.000 . 6.300 3.414 2.566 4.027 . 0 0 "[ . 1 . 2]" 1
360 1 40 MET HB2 1 41 LEU H 3.000 . 4.000 3.786 3.060 4.058 0.058 7 0 "[ . 1 . 2]" 1
361 1 40 MET HB3 1 40 MET ME 4.000 . 6.300 3.740 1.856 4.242 . 0 0 "[ . 1 . 2]" 1
362 1 40 MET HB3 1 41 LEU H 3.000 . 4.000 3.606 2.041 4.040 0.040 11 0 "[ . 1 . 2]" 1
363 1 40 MET ME 1 41 LEU H 4.000 . 6.300 3.416 2.948 4.134 . 0 0 "[ . 1 . 2]" 1
364 1 40 MET ME 1 41 LEU MD1 4.000 . 6.600 3.060 1.838 4.321 . 0 0 "[ . 1 . 2]" 1
365 1 40 MET ME 1 41 LEU MD2 4.000 . 6.600 3.853 1.873 4.443 . 0 0 "[ . 1 . 2]" 1
366 1 40 MET ME 1 49 TYR QD 3.000 . 6.300 3.750 2.646 4.676 . 0 0 "[ . 1 . 2]" 1
367 1 40 MET ME 1 49 TYR QE 3.000 . 6.300 3.607 2.306 4.867 . 0 0 "[ . 1 . 2]" 1
368 1 40 MET QG 1 41 LEU H 4.000 . 7.000 2.250 1.782 4.191 0.018 13 0 "[ . 1 . 2]" 1
369 1 41 LEU H 1 41 LEU HA 3.000 . 4.000 2.869 2.779 2.888 . 0 0 "[ . 1 . 2]" 1
370 1 41 LEU H 1 41 LEU QB 2.500 . 3.800 1.990 1.918 2.192 . 0 0 "[ . 1 . 2]" 1
371 1 41 LEU H 1 41 LEU MD1 4.000 . 6.300 3.695 2.523 4.211 . 0 0 "[ . 1 . 2]" 1
372 1 41 LEU H 1 41 LEU MD2 4.000 . 6.300 3.996 2.036 4.379 . 0 0 "[ . 1 . 2]" 1
373 1 41 LEU H 1 41 LEU HG 3.000 . 4.000 3.727 2.466 4.250 0.250 3 0 "[ . 1 . 2]" 1
374 1 41 LEU H 1 42 LEU H 3.000 . 4.000 2.816 2.585 3.138 . 0 0 "[ . 1 . 2]" 1
375 1 41 LEU H 1 42 LEU QD 4.000 . 8.400 5.509 5.208 5.769 . 0 0 "[ . 1 . 2]" 1
376 1 41 LEU HA 1 41 LEU QD 3.000 . 6.400 2.449 1.852 3.011 . 0 0 "[ . 1 . 2]" 1
377 1 41 LEU HA 1 44 LEU H 3.000 . 4.000 3.668 3.279 4.084 0.084 18 0 "[ . 1 . 2]" 1
378 1 41 LEU HA 1 44 LEU MD1 4.000 . 6.300 3.752 2.265 5.258 . 0 0 "[ . 1 . 2]" 1
379 1 41 LEU HA 1 44 LEU MD2 4.000 . 6.300 4.079 1.848 5.284 . 0 0 "[ . 1 . 2]" 1
380 1 41 LEU QB 1 41 LEU QD 2.500 . 3.700 1.845 1.715 1.972 0.085 2 0 "[ . 1 . 2]" 1
381 1 41 LEU QB 1 46 LEU H 3.000 . 5.000 4.334 4.215 4.577 . 0 0 "[ . 1 . 2]" 1
382 1 41 LEU HB2 1 42 LEU H 3.000 . 4.000 3.058 2.324 4.009 0.009 4 0 "[ . 1 . 2]" 1
383 1 41 LEU HB3 1 42 LEU H 3.000 . 4.000 2.510 2.067 2.893 . 0 0 "[ . 1 . 2]" 1
384 1 41 LEU QD 1 42 LEU H 4.000 . 8.400 3.606 2.690 3.997 . 0 0 "[ . 1 . 2]" 1
385 1 41 LEU QD 1 44 LEU MD1 4.000 . 8.700 4.180 2.477 5.386 . 0 0 "[ . 1 . 2]" 1
386 1 41 LEU QD 1 44 LEU MD2 4.000 . 8.700 4.180 3.116 5.277 . 0 0 "[ . 1 . 2]" 1
387 1 41 LEU QD 1 46 LEU H 4.000 . 8.400 3.020 1.823 4.353 . 0 0 "[ . 1 . 2]" 1
388 1 41 LEU QD 1 46 LEU MD2 4.000 . 8.700 2.950 1.666 4.057 0.134 7 0 "[ . 1 . 2]" 1
389 1 41 LEU QD 1 48 VAL QG 4.000 . 10.800 4.693 1.956 5.958 . 0 0 "[ . 1 . 2]" 1
390 1 41 LEU QD 1 49 TYR H 4.000 . 8.400 4.443 2.517 6.204 . 0 0 "[ . 1 . 2]" 1
391 1 41 LEU QD 1 49 TYR QD 4.000 . 10.400 2.790 1.842 4.756 . 0 0 "[ . 1 . 2]" 1
392 1 41 LEU QD 1 49 TYR QE 4.000 . 10.400 2.838 1.673 3.816 0.127 19 0 "[ . 1 . 2]" 1
393 1 41 LEU QD 1 50 GLU H 4.000 . 8.400 4.650 3.071 6.085 . 0 0 "[ . 1 . 2]" 1
394 1 41 LEU HG 1 42 LEU H 4.000 . 6.000 4.541 2.793 4.939 . 0 0 "[ . 1 . 2]" 1
395 1 42 LEU H 1 42 LEU HA 3.000 . 4.000 2.847 2.783 2.891 . 0 0 "[ . 1 . 2]" 1
396 1 42 LEU H 1 42 LEU QB 3.000 . 5.000 2.150 2.002 2.189 . 0 0 "[ . 1 . 2]" 1
397 1 42 LEU H 1 42 LEU QD 4.000 . 8.400 3.590 3.301 3.686 . 0 0 "[ . 1 . 2]" 1
398 1 42 LEU H 1 42 LEU HG 4.000 . 6.000 4.327 4.199 4.366 . 0 0 "[ . 1 . 2]" 1
399 1 42 LEU HA 1 45 GLY H 3.000 . 5.000 2.921 2.630 3.129 . 0 0 "[ . 1 . 2]" 1
400 1 42 LEU HA 1 46 LEU H 3.000 . 4.000 3.588 2.761 3.998 . 0 0 "[ . 1 . 2]" 1
401 1 42 LEU QB 1 43 GLU H 3.000 . 5.000 2.693 2.387 3.374 . 0 0 "[ . 1 . 2]" 1
402 1 42 LEU QD 1 43 GLU H 4.000 . 8.400 3.591 2.823 4.395 . 0 0 "[ . 1 . 2]" 1
403 1 42 LEU HG 1 45 GLY H 3.000 . 4.000 4.059 4.028 4.118 0.118 18 0 "[ . 1 . 2]" 1
404 1 42 LEU HG 1 46 LEU H 4.000 . 6.000 5.629 4.579 6.039 0.039 9 0 "[ . 1 . 2]" 1
405 1 43 GLU H 1 43 GLU HA 3.000 . 4.000 2.862 2.821 2.927 . 0 0 "[ . 1 . 2]" 1
406 1 43 GLU H 1 43 GLU HB2 3.000 . 4.000 2.365 1.955 3.536 . 0 0 "[ . 1 . 2]" 1
407 1 43 GLU H 1 43 GLU HB3 3.000 . 4.000 3.095 2.002 3.520 . 0 0 "[ . 1 . 2]" 1
408 1 43 GLU H 1 43 GLU HG2 3.000 . 4.000 3.375 2.253 4.054 0.054 1 0 "[ . 1 . 2]" 1
409 1 43 GLU H 1 43 GLU HG3 3.000 . 4.000 3.355 2.291 4.212 0.212 1 0 "[ . 1 . 2]" 1
410 1 43 GLU H 1 44 LEU QB 3.000 . 5.000 4.237 4.145 4.348 . 0 0 "[ . 1 . 2]" 1
411 1 43 GLU H 1 44 LEU HG 4.000 . 6.000 5.681 4.161 6.078 0.078 16 0 "[ . 1 . 2]" 1
412 1 43 GLU HA 1 44 LEU H 3.000 . 4.000 3.479 3.427 3.533 . 0 0 "[ . 1 . 2]" 1
413 1 43 GLU HB2 1 44 LEU H 3.000 . 4.000 3.226 2.770 4.081 0.081 1 0 "[ . 1 . 2]" 1
414 1 43 GLU HB3 1 44 LEU H 3.000 . 4.000 3.452 2.800 3.929 . 0 0 "[ . 1 . 2]" 1
415 1 43 GLU QG 1 44 LEU H 4.000 . 7.000 3.930 1.918 4.628 . 0 0 "[ . 1 . 2]" 1
416 1 44 LEU H 1 44 LEU HA 3.000 . 4.000 2.974 2.937 2.980 . 0 0 "[ . 1 . 2]" 1
417 1 44 LEU H 1 44 LEU HB2 3.000 . 4.000 2.604 1.966 3.607 . 0 0 "[ . 1 . 2]" 1
418 1 44 LEU H 1 44 LEU HB3 3.000 . 4.000 2.890 2.064 3.543 . 0 0 "[ . 1 . 2]" 1
419 1 44 LEU H 1 44 LEU MD1 4.000 . 6.300 3.423 1.803 4.245 . 0 0 "[ . 1 . 2]" 1
420 1 44 LEU H 1 44 LEU MD2 4.000 . 6.300 4.069 2.559 4.442 . 0 0 "[ . 1 . 2]" 1
421 1 44 LEU H 1 44 LEU HG 3.000 . 4.000 3.516 2.356 3.878 . 0 0 "[ . 1 . 2]" 1
422 1 44 LEU H 1 45 GLY H 2.500 . 2.800 2.255 2.125 2.414 . 0 0 "[ . 1 . 2]" 1
423 1 44 LEU H 1 45 GLY QA 4.000 . 7.000 4.225 4.101 4.364 . 0 0 "[ . 1 . 2]" 1
424 1 44 LEU HA 1 44 LEU QD 3.000 . 6.400 2.661 2.055 3.339 . 0 0 "[ . 1 . 2]" 1
425 1 44 LEU HA 1 45 GLY H 4.000 . 6.000 3.372 3.246 3.475 . 0 0 "[ . 1 . 2]" 1
426 1 44 LEU QB 1 47 ARG H 3.000 . 5.000 3.996 2.765 4.586 . 0 0 "[ . 1 . 2]" 1
427 1 44 LEU QB 1 48 VAL QG 4.000 . 9.400 3.147 1.776 4.208 0.024 2 0 "[ . 1 . 2]" 1
428 1 44 LEU QD 1 48 VAL HB 3.000 . 6.400 2.573 1.751 3.777 0.049 15 0 "[ . 1 . 2]" 1
429 1 44 LEU MD1 1 45 GLY H 4.000 . 6.300 4.394 1.920 5.195 . 0 0 "[ . 1 . 2]" 1
430 1 44 LEU MD1 1 49 TYR H 4.000 . 6.300 4.086 1.929 5.145 . 0 0 "[ . 1 . 2]" 1
431 1 44 LEU MD2 1 45 GLY H 4.000 . 6.300 4.794 3.477 5.252 . 0 0 "[ . 1 . 2]" 1
432 1 44 LEU MD2 1 49 TYR H 4.000 . 6.300 3.328 2.422 4.985 . 0 0 "[ . 1 . 2]" 1
433 1 44 LEU HG 1 48 VAL QG 4.000 . 8.400 3.564 2.235 4.820 . 0 0 "[ . 1 . 2]" 1
434 1 45 GLY H 1 45 GLY HA2 3.000 . 4.000 2.364 2.341 2.422 . 0 0 "[ . 1 . 2]" 1
435 1 45 GLY H 1 45 GLY HA3 3.000 . 4.000 2.893 2.792 2.974 . 0 0 "[ . 1 . 2]" 1
436 1 45 GLY H 1 46 LEU H 2.500 . 3.000 2.553 2.215 2.892 . 0 0 "[ . 1 . 2]" 1
437 1 45 GLY HA2 1 46 LEU H 4.000 . 6.000 3.043 2.758 3.337 . 0 0 "[ . 1 . 2]" 1
438 1 45 GLY HA3 1 46 LEU H 4.000 . 6.000 3.458 3.254 3.562 . 0 0 "[ . 1 . 2]" 1
439 1 46 LEU H 1 46 LEU HA 3.000 . 4.000 2.373 2.361 2.405 . 0 0 "[ . 1 . 2]" 1
440 1 46 LEU H 1 46 LEU QB 3.000 . 5.000 2.995 2.693 3.465 . 0 0 "[ . 1 . 2]" 1
441 1 46 LEU H 1 46 LEU QD 4.000 . 8.400 3.384 1.821 4.130 . 0 0 "[ . 1 . 2]" 1
442 1 46 LEU H 1 46 LEU HG 4.000 . 6.000 3.777 2.314 4.925 . 0 0 "[ . 1 . 2]" 1
443 1 46 LEU H 1 47 ARG H 3.000 . 4.000 2.991 2.714 3.513 . 0 0 "[ . 1 . 2]" 1
444 1 46 LEU HA 1 49 TYR H 4.000 . 6.000 4.192 3.471 5.668 . 0 0 "[ . 1 . 2]" 1
445 1 46 LEU QB 1 47 ARG H 3.000 . 5.000 3.447 2.356 4.064 . 0 0 "[ . 1 . 2]" 1
446 1 46 LEU QD 1 49 TYR QD 4.000 . 10.400 3.607 1.896 5.309 . 0 0 "[ . 1 . 2]" 1
447 1 46 LEU QD 1 50 GLU H 4.000 . 8.400 4.459 2.383 6.015 . 0 0 "[ . 1 . 2]" 1
448 1 47 ARG H 1 47 ARG HB2 3.000 . 4.000 2.346 1.962 3.543 . 0 0 "[ . 1 . 2]" 1
449 1 47 ARG H 1 47 ARG HB3 3.000 . 4.000 2.854 2.253 3.524 . 0 0 "[ . 1 . 2]" 1
450 1 47 ARG H 1 47 ARG QG 4.000 . 7.000 3.394 1.941 4.001 . 0 0 "[ . 1 . 2]" 1
451 1 47 ARG H 1 48 VAL H 3.000 . 4.000 2.998 2.518 3.885 . 0 0 "[ . 1 . 2]" 1
452 1 47 ARG HA 1 48 VAL H 3.000 . 4.000 3.517 3.304 3.591 . 0 0 "[ . 1 . 2]" 1
453 1 47 ARG HA 1 50 GLU H 3.000 . 4.000 3.943 3.520 4.058 0.058 1 0 "[ . 1 . 2]" 1
454 1 47 ARG QB 1 48 VAL H 4.000 . 7.000 2.253 1.818 3.481 . 0 0 "[ . 1 . 2]" 1
455 1 48 VAL H 1 48 VAL HA 3.000 . 4.000 2.779 2.724 2.841 . 0 0 "[ . 1 . 2]" 1
456 1 48 VAL H 1 48 VAL HB 3.000 . 4.000 2.751 2.209 3.550 . 0 0 "[ . 1 . 2]" 1
457 1 48 VAL H 1 48 VAL MG1 3.000 . 4.300 3.032 1.896 3.716 . 0 0 "[ . 1 . 2]" 1
458 1 48 VAL H 1 48 VAL MG2 3.000 . 4.300 2.283 1.816 3.691 . 0 0 "[ . 1 . 2]" 1
459 1 48 VAL H 1 49 TYR H 3.000 . 4.000 3.112 2.704 3.880 . 0 0 "[ . 1 . 2]" 1
460 1 48 VAL HA 1 49 TYR H 4.000 . 6.000 3.516 3.363 3.581 . 0 0 "[ . 1 . 2]" 1
461 1 48 VAL HA 1 51 ALA H 3.000 . 4.000 3.488 3.151 4.019 0.019 19 0 "[ . 1 . 2]" 1
462 1 48 VAL HA 1 51 ALA MB 3.000 . 4.300 2.499 2.063 3.435 . 0 0 "[ . 1 . 2]" 1
463 1 48 VAL HA 1 52 GLN H 4.000 . 6.000 4.666 3.254 6.004 0.004 6 0 "[ . 1 . 2]" 1
464 1 48 VAL HB 1 49 TYR H 3.000 . 4.000 2.855 1.895 4.003 0.003 12 0 "[ . 1 . 2]" 1
465 1 48 VAL QG 1 51 ALA H 4.000 . 8.400 4.107 3.649 4.544 . 0 0 "[ . 1 . 2]" 1
466 1 48 VAL QG 1 52 GLN H 4.000 . 8.400 4.367 2.831 6.020 . 0 0 "[ . 1 . 2]" 1
467 1 48 VAL MG1 1 49 TYR H 4.000 . 6.300 3.079 1.835 4.003 . 0 0 "[ . 1 . 2]" 1
468 1 48 VAL MG2 1 49 TYR H 4.000 . 6.300 3.200 1.820 3.990 . 0 0 "[ . 1 . 2]" 1
469 1 49 TYR H 1 49 TYR HA 3.000 . 4.000 2.800 2.701 2.908 . 0 0 "[ . 1 . 2]" 1
470 1 49 TYR H 1 49 TYR QB 2.500 . 3.800 2.298 2.116 2.980 . 0 0 "[ . 1 . 2]" 1
471 1 49 TYR H 1 49 TYR QD 3.000 . 6.000 3.694 2.256 4.142 . 0 0 "[ . 1 . 2]" 1
472 1 49 TYR H 1 50 GLU H 3.000 . 4.000 2.967 2.715 3.202 . 0 0 "[ . 1 . 2]" 1
473 1 49 TYR H 1 51 ALA H 4.000 . 6.000 4.028 3.545 4.505 . 0 0 "[ . 1 . 2]" 1
474 1 49 TYR HA 1 49 TYR QD 2.500 . 4.300 2.855 2.075 3.696 . 0 0 "[ . 1 . 2]" 1
475 1 49 TYR HA 1 49 TYR QE 3.000 . 6.000 4.834 4.387 5.594 . 0 0 "[ . 1 . 2]" 1
476 1 49 TYR HA 1 50 GLU H 3.000 . 4.000 3.579 3.518 3.603 . 0 0 "[ . 1 . 2]" 1
477 1 49 TYR HA 1 52 GLN H 3.000 . 4.000 3.808 3.287 4.012 0.012 12 0 "[ . 1 . 2]" 1
478 1 49 TYR QB 1 50 GLU H 3.000 . 4.300 2.538 2.085 3.452 . 0 0 "[ . 1 . 2]" 1
479 1 49 TYR HB2 1 49 TYR QD 2.500 . 4.300 2.545 2.336 2.762 . 0 0 "[ . 1 . 2]" 1
480 1 49 TYR HB3 1 49 TYR QD 2.500 . 4.300 2.362 2.283 2.513 . 0 0 "[ . 1 . 2]" 1
481 1 49 TYR QD 1 50 GLU H 3.000 . 6.000 2.736 1.935 3.424 . 0 0 "[ . 1 . 2]" 1
482 1 49 TYR QD 1 50 GLU QB 3.000 . 7.000 3.207 2.577 3.967 . 0 0 "[ . 1 . 2]" 1
483 1 49 TYR QD 1 50 GLU HG2 3.000 . 6.000 4.256 3.633 5.106 . 0 0 "[ . 1 . 2]" 1
484 1 49 TYR QD 1 50 GLU HG3 3.000 . 6.000 4.198 3.739 5.174 . 0 0 "[ . 1 . 2]" 1
485 1 49 TYR QE 1 50 GLU QB 3.000 . 7.000 4.487 2.735 5.233 . 0 0 "[ . 1 . 2]" 1
486 1 50 GLU H 1 50 GLU HA 2.500 . 2.800 2.843 2.816 2.881 0.081 8 0 "[ . 1 . 2]" 1
487 1 50 GLU H 1 50 GLU HB2 2.500 . 2.800 1.935 1.803 1.975 . 0 0 "[ . 1 . 2]" 1
488 1 50 GLU H 1 50 GLU HB3 2.500 . 2.800 2.933 2.874 3.090 0.290 17 0 "[ . 1 . 2]" 1
489 1 50 GLU H 1 50 GLU HG2 3.000 . 4.000 4.019 3.679 4.104 0.104 17 0 "[ . 1 . 2]" 1
490 1 50 GLU H 1 50 GLU HG3 3.000 . 4.000 4.022 3.739 4.141 0.141 14 0 "[ . 1 . 2]" 1
491 1 50 GLU H 1 51 ALA H 3.000 . 4.000 2.661 2.515 2.747 . 0 0 "[ . 1 . 2]" 1
492 1 50 GLU H 1 51 ALA MB 4.000 . 6.300 4.174 4.005 4.334 . 0 0 "[ . 1 . 2]" 1
493 1 50 GLU H 1 52 GLN H 4.000 . 6.000 4.539 3.879 4.946 . 0 0 "[ . 1 . 2]" 1
494 1 50 GLU HA 1 51 ALA H 3.000 . 4.000 3.485 3.361 3.569 . 0 0 "[ . 1 . 2]" 1
495 1 50 GLU HA 1 53 MET H 3.000 . 4.000 3.797 3.086 4.012 0.012 14 0 "[ . 1 . 2]" 1
496 1 51 ALA H 1 51 ALA HA 3.000 . 4.000 2.889 2.806 2.928 . 0 0 "[ . 1 . 2]" 1
497 1 51 ALA H 1 51 ALA MB 3.000 . 4.300 2.047 1.908 2.176 . 0 0 "[ . 1 . 2]" 1
498 1 51 ALA H 1 52 GLN H 2.500 . 2.800 2.670 2.529 2.814 0.014 6 0 "[ . 1 . 2]" 1
499 1 51 ALA H 1 52 GLN QB 4.000 . 7.000 4.589 4.220 5.276 . 0 0 "[ . 1 . 2]" 1
500 1 51 ALA MB 1 52 GLN H 3.000 . 4.300 2.482 2.010 3.124 . 0 0 "[ . 1 . 2]" 1
501 1 52 GLN H 1 52 GLN HA 2.500 . 2.800 2.867 2.771 2.978 0.178 8 0 "[ . 1 . 2]" 1
502 1 52 GLN H 1 52 GLN QB 3.000 . 5.000 2.344 2.046 2.962 . 0 0 "[ . 1 . 2]" 1
503 1 52 GLN H 1 52 GLN HG2 3.000 . 4.000 2.555 1.861 3.786 . 0 0 "[ . 1 . 2]" 1
504 1 52 GLN H 1 52 GLN HG3 3.000 . 4.000 2.965 2.078 3.653 . 0 0 "[ . 1 . 2]" 1
505 1 52 GLN HA 1 53 MET H 3.000 . 4.000 3.353 2.767 3.595 . 0 0 "[ . 1 . 2]" 1
506 1 52 GLN QB 1 53 MET H 3.000 . 5.000 3.232 2.077 4.066 . 0 0 "[ . 1 . 2]" 1
507 1 52 GLN QG 1 53 MET H 3.000 . 5.000 3.630 1.792 4.499 0.008 10 0 "[ . 1 . 2]" 1
508 1 53 MET H 1 53 MET HA 3.000 . 4.000 2.810 2.362 2.989 . 0 0 "[ . 1 . 2]" 1
509 1 53 MET H 1 53 MET HB2 3.000 . 4.000 2.788 1.938 3.651 . 0 0 "[ . 1 . 2]" 1
510 1 53 MET H 1 53 MET HB3 3.000 . 4.000 3.341 2.291 4.034 0.034 18 0 "[ . 1 . 2]" 1
511 1 53 MET H 1 53 MET HG2 3.000 . 4.000 2.883 1.919 3.957 . 0 0 "[ . 1 . 2]" 1
512 1 53 MET H 1 53 MET HG3 3.000 . 4.000 3.361 2.304 3.869 . 0 0 "[ . 1 . 2]" 1
513 1 53 MET H 1 54 GLU H 2.500 . 2.800 2.646 2.326 2.811 0.011 17 0 "[ . 1 . 2]" 1
514 1 53 MET HA 1 54 GLU H 3.000 . 4.000 3.336 2.821 3.588 . 0 0 "[ . 1 . 2]" 1
515 1 54 GLU H 1 54 GLU HA 3.000 . 4.000 2.805 2.365 3.005 . 0 0 "[ . 1 . 2]" 1
516 1 54 GLU H 1 54 GLU HB2 3.000 . 4.000 3.040 2.001 3.929 . 0 0 "[ . 1 . 2]" 1
517 1 54 GLU H 1 54 GLU HB3 3.000 . 4.000 3.243 2.446 4.016 0.016 1 0 "[ . 1 . 2]" 1
518 1 54 GLU H 1 54 GLU QG 3.000 . 5.000 3.131 1.976 4.237 . 0 0 "[ . 1 . 2]" 1
519 1 54 GLU HA 1 55 ARG H 2.500 . 2.800 2.595 2.357 2.970 0.170 7 0 "[ . 1 . 2]" 1
520 1 54 GLU HB2 1 55 ARG H 3.000 . 4.000 3.363 2.088 4.082 0.082 7 0 "[ . 1 . 2]" 1
521 1 54 GLU HB3 1 55 ARG H 3.000 . 4.000 3.112 1.931 4.081 0.081 7 0 "[ . 1 . 2]" 1
522 1 55 ARG H 1 55 ARG HB2 3.000 . 4.000 3.069 2.069 3.983 . 0 0 "[ . 1 . 2]" 1
523 1 55 ARG H 1 55 ARG HB3 3.000 . 4.000 3.148 2.244 3.972 . 0 0 "[ . 1 . 2]" 1
524 1 55 ARG H 1 55 ARG QG 3.000 . 5.000 3.043 1.910 4.225 . 0 0 "[ . 1 . 2]" 1
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