NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
496886 |
2kz9   |
17000 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kz9
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 370
_Distance_constraint_stats_list.Viol_count 118
_Distance_constraint_stats_list.Viol_total 72.232
_Distance_constraint_stats_list.Viol_max 0.599
_Distance_constraint_stats_list.Viol_rms 0.0195
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0612
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1]"
1 2 ALA 0.000 0.000 7 0 "[ . 1]"
1 3 SER 0.007 0.007 2 0 "[ . 1]"
1 4 ALA 0.056 0.054 4 0 "[ . 1]"
1 5 ILE 0.487 0.084 5 0 "[ . 1]"
1 6 THR 0.955 0.383 10 0 "[ . 1]"
1 7 ALA 0.204 0.078 10 0 "[ . 1]"
1 8 LEU 0.285 0.049 5 0 "[ . 1]"
1 9 THR 0.175 0.049 5 0 "[ . 1]"
1 12 GLN 0.046 0.032 3 0 "[ . 1]"
1 13 VAL 0.046 0.032 3 0 "[ . 1]"
1 14 ASN 0.000 0.000 . 0 "[ . 1]"
1 15 ASP 0.158 0.036 5 0 "[ . 1]"
1 16 GLU 0.407 0.036 5 0 "[ . 1]"
1 17 LEU 0.249 0.028 10 0 "[ . 1]"
1 18 ASN 0.000 0.000 . 0 "[ . 1]"
1 19 LYS 1.175 0.140 1 0 "[ . 1]"
1 20 MET 0.859 0.140 1 0 "[ . 1]"
1 21 GLN 0.000 0.000 . 0 "[ . 1]"
1 22 ALA 0.000 0.000 . 0 "[ . 1]"
1 23 PHE 1.912 0.599 7 1 "[ . + 1]"
1 24 ILE 0.000 0.000 . 0 "[ . 1]"
1 25 ARG 1.559 0.158 10 0 "[ . 1]"
1 26 LYS 0.000 0.000 . 0 "[ . 1]"
1 27 GLU 0.000 0.000 . 0 "[ . 1]"
1 28 ALA 0.000 0.000 . 0 "[ . 1]"
1 29 GLU 0.000 0.000 . 0 "[ . 1]"
1 30 GLU 0.000 0.000 . 0 "[ . 1]"
1 31 LYS 0.000 0.000 . 0 "[ . 1]"
1 32 ALA 0.000 0.000 . 0 "[ . 1]"
1 33 LYS 0.000 0.000 . 0 "[ . 1]"
1 34 GLU 0.000 0.000 . 0 "[ . 1]"
1 35 ILE 0.000 0.000 . 0 "[ . 1]"
1 36 GLN 0.000 0.000 . 0 "[ . 1]"
1 37 LEU 0.182 0.182 9 0 "[ . 1]"
1 38 LYS 0.096 0.096 8 0 "[ . 1]"
1 39 ALA 0.000 0.000 . 0 "[ . 1]"
1 40 ASP 0.000 0.000 . 0 "[ . 1]"
1 41 GLN 0.027 0.027 9 0 "[ . 1]"
1 42 GLU 0.623 0.077 3 0 "[ . 1]"
1 43 TYR 1.297 0.547 6 1 "[ .+ 1]"
1 44 GLU 0.000 0.000 . 0 "[ . 1]"
1 45 ILE 0.106 0.106 9 0 "[ . 1]"
1 46 GLU 0.000 0.000 . 0 "[ . 1]"
1 47 LYS 0.000 0.000 . 0 "[ . 1]"
1 48 THR 0.000 0.000 . 0 "[ . 1]"
1 49 ASN 0.000 0.000 . 0 "[ . 1]"
1 50 ILE 0.000 0.000 . 0 "[ . 1]"
1 51 VAL 0.000 0.000 . 0 "[ . 1]"
1 52 ARG 0.018 0.018 10 0 "[ . 1]"
1 53 ASN 0.000 0.000 . 0 "[ . 1]"
1 54 GLU 0.018 0.018 10 0 "[ . 1]"
1 55 THR 0.000 0.000 . 0 "[ . 1]"
1 56 ASN 0.000 0.000 . 0 "[ . 1]"
1 57 ASN 0.000 0.000 . 0 "[ . 1]"
1 58 ILE 0.014 0.009 5 0 "[ . 1]"
1 59 ASP 0.000 0.000 9 0 "[ . 1]"
1 60 GLY 0.005 0.005 5 0 "[ . 1]"
1 61 ASN 0.012 0.003 5 0 "[ . 1]"
1 62 PHE 0.018 0.005 5 0 "[ . 1]"
1 63 LYS 0.000 0.000 . 0 "[ . 1]"
1 64 SER 0.000 0.000 . 0 "[ . 1]"
1 65 LYS 0.000 0.000 . 0 "[ . 1]"
1 66 LEU 0.000 0.000 . 0 "[ . 1]"
1 67 LYS 0.000 0.000 . 0 "[ . 1]"
1 68 LYS 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET H1 1 1 MET ME . . 5.240 3.946 2.395 4.899 . 0 0 "[ . 1]" 1
2 1 1 MET H1 1 1 MET HG2 . . 5.500 4.238 2.120 5.272 . 0 0 "[ . 1]" 1
3 1 1 MET H1 1 1 MET HG3 . . 5.500 3.732 3.003 4.523 . 0 0 "[ . 1]" 1
4 1 1 MET H1 1 3 SER H . . 5.500 4.884 3.662 5.490 . 0 0 "[ . 1]" 1
5 1 1 MET HA 1 3 SER H . . 5.500 4.768 3.827 5.392 . 0 0 "[ . 1]" 1
6 1 1 MET HB2 1 2 ALA H . . 5.500 3.484 2.107 4.578 . 0 0 "[ . 1]" 1
7 1 1 MET HB3 1 2 ALA H . . 5.500 3.360 2.370 4.375 . 0 0 "[ . 1]" 1
8 1 2 ALA H 1 3 SER H . . 5.500 2.705 1.927 4.333 . 0 0 "[ . 1]" 1
9 1 2 ALA H 1 4 ALA H . . 4.420 4.176 3.857 4.420 0.000 7 0 "[ . 1]" 1
10 1 2 ALA MB 1 3 SER H . . 5.120 2.997 1.901 3.717 . 0 0 "[ . 1]" 1
11 1 3 SER HA 1 5 ILE H . . 4.170 3.911 3.379 4.159 . 0 0 "[ . 1]" 1
12 1 3 SER HA 1 6 THR H . . 3.930 3.748 3.210 3.937 0.007 2 0 "[ . 1]" 1
13 1 3 SER HB2 1 4 ALA H . . 5.500 3.503 2.062 4.323 . 0 0 "[ . 1]" 1
14 1 3 SER HB3 1 4 ALA H . . 5.500 3.702 1.961 4.536 . 0 0 "[ . 1]" 1
15 1 4 ALA H 1 5 ILE H . . 4.520 2.741 1.900 3.826 . 0 0 "[ . 1]" 1
16 1 4 ALA HA 1 5 ILE H . . 3.510 3.257 2.442 3.564 0.054 4 0 "[ . 1]" 1
17 1 4 ALA MB 1 5 ILE H . . 3.820 3.007 1.900 3.697 . 0 0 "[ . 1]" 1
18 1 5 ILE H 1 5 ILE MD . . 3.790 2.736 2.064 3.719 . 0 0 "[ . 1]" 1
19 1 5 ILE H 1 5 ILE HG12 . . 4.110 3.131 1.959 4.068 . 0 0 "[ . 1]" 1
20 1 5 ILE H 1 5 ILE QG . . 3.450 2.479 1.932 2.938 . 0 0 "[ . 1]" 1
21 1 5 ILE H 1 5 ILE HG13 . . 4.110 3.196 2.058 4.162 0.052 5 0 "[ . 1]" 1
22 1 5 ILE H 1 5 ILE MG . . 3.800 3.617 2.506 3.884 0.084 5 0 "[ . 1]" 1
23 1 5 ILE HA 1 6 THR H . . 3.550 3.170 2.456 3.565 0.015 4 0 "[ . 1]" 1
24 1 5 ILE MD 1 6 THR H . . 4.530 4.060 3.530 4.531 0.001 4 0 "[ . 1]" 1
25 1 5 ILE MG 1 6 THR H . . 4.850 3.684 2.736 4.351 . 0 0 "[ . 1]" 1
26 1 5 ILE MG 1 7 ALA H . . 5.490 4.055 2.095 5.403 . 0 0 "[ . 1]" 1
27 1 6 THR H 1 6 THR HB . . 3.260 3.071 2.562 3.643 0.383 10 0 "[ . 1]" 1
28 1 6 THR H 1 6 THR HG1 . . 5.500 3.770 2.808 4.787 . 0 0 "[ . 1]" 1
29 1 6 THR H 1 7 ALA H . . 3.540 2.476 1.897 3.142 . 0 0 "[ . 1]" 1
30 1 6 THR H 1 7 ALA MB . . 5.500 4.157 3.265 5.142 . 0 0 "[ . 1]" 1
31 1 6 THR H 1 8 LEU HG . . 5.440 4.941 3.610 5.442 0.002 3 0 "[ . 1]" 1
32 1 6 THR HB 1 7 ALA H . . 4.040 3.321 1.949 4.118 0.078 10 0 "[ . 1]" 1
33 1 7 ALA H 1 8 LEU H . . 3.080 2.586 1.901 3.083 0.003 6 0 "[ . 1]" 1
34 1 7 ALA MB 1 8 LEU H . . 3.670 3.071 2.059 3.704 0.034 2 0 "[ . 1]" 1
35 1 8 LEU H 1 8 LEU MD1 . . 4.240 3.769 3.229 4.258 0.018 5 0 "[ . 1]" 1
36 1 8 LEU H 1 8 LEU QD . . 3.700 3.000 2.018 3.418 . 0 0 "[ . 1]" 1
37 1 8 LEU H 1 8 LEU MD2 . . 4.240 3.303 2.027 4.246 0.006 2 0 "[ . 1]" 1
38 1 8 LEU H 1 8 LEU HG . . 3.300 2.451 1.949 2.755 . 0 0 "[ . 1]" 1
39 1 8 LEU H 1 9 THR H . . 3.150 2.650 1.896 3.148 . 0 0 "[ . 1]" 1
40 1 8 LEU HA 1 9 THR H . . 3.540 3.166 2.531 3.556 0.016 6 0 "[ . 1]" 1
41 1 8 LEU HB2 1 9 THR H . . 5.500 3.546 1.949 4.387 . 0 0 "[ . 1]" 1
42 1 8 LEU HB3 1 9 THR H . . 5.500 4.106 2.698 4.630 . 0 0 "[ . 1]" 1
43 1 8 LEU QD 1 9 THR H . . 4.720 3.953 2.698 4.450 . 0 0 "[ . 1]" 1
44 1 8 LEU MD1 1 9 THR H . . 5.500 4.392 2.733 5.186 . 0 0 "[ . 1]" 1
45 1 8 LEU MD2 1 9 THR H . . 5.500 4.709 4.157 5.341 . 0 0 "[ . 1]" 1
46 1 8 LEU HG 1 9 THR H . . 4.500 4.138 2.532 4.549 0.049 5 0 "[ . 1]" 1
47 1 9 THR H 1 9 THR HB . . 4.200 3.603 2.792 4.055 . 0 0 "[ . 1]" 1
48 1 9 THR H 1 9 THR MG . . 4.070 3.387 2.744 3.899 . 0 0 "[ . 1]" 1
49 1 12 GLN H 1 12 GLN QG . . 4.230 2.840 1.935 3.977 . 0 0 "[ . 1]" 1
50 1 12 GLN H 1 13 VAL H . . 2.780 2.776 2.721 2.812 0.032 3 0 "[ . 1]" 1
51 1 12 GLN H 1 14 ASN H . . 4.520 4.201 4.028 4.290 . 0 0 "[ . 1]" 1
52 1 12 GLN HB2 1 13 VAL H . . 5.500 3.338 2.521 3.857 . 0 0 "[ . 1]" 1
53 1 12 GLN HB3 1 13 VAL H . . 5.500 3.277 2.501 3.925 . 0 0 "[ . 1]" 1
54 1 12 GLN QG 1 13 VAL H . . 4.590 3.351 1.943 4.295 . 0 0 "[ . 1]" 1
55 1 13 VAL H 1 13 VAL HB . . 3.230 2.556 2.528 2.619 . 0 0 "[ . 1]" 1
56 1 13 VAL H 1 13 VAL MG1 . . 4.650 3.411 1.918 3.770 . 0 0 "[ . 1]" 1
57 1 13 VAL H 1 13 VAL QG . . 4.070 2.102 1.913 2.276 . 0 0 "[ . 1]" 1
58 1 13 VAL H 1 13 VAL MG2 . . 4.650 2.468 2.017 3.768 . 0 0 "[ . 1]" 1
59 1 13 VAL H 1 14 ASN H . . 3.460 2.638 2.547 2.682 . 0 0 "[ . 1]" 1
60 1 13 VAL HA 1 16 GLU H . . 5.500 3.670 3.612 3.703 . 0 0 "[ . 1]" 1
61 1 13 VAL HB 1 14 ASN H . . 4.160 2.856 2.513 3.979 . 0 0 "[ . 1]" 1
62 1 13 VAL QG 1 14 ASN H . . 3.880 2.961 1.911 3.345 . 0 0 "[ . 1]" 1
63 1 13 VAL MG1 1 14 ASN H . . 4.630 3.165 1.917 3.734 . 0 0 "[ . 1]" 1
64 1 13 VAL MG2 1 14 ASN H . . 4.630 3.765 3.564 3.833 . 0 0 "[ . 1]" 1
65 1 14 ASN H 1 14 ASN QB . . 3.520 2.193 2.069 2.386 . 0 0 "[ . 1]" 1
66 1 14 ASN HA 1 16 GLU H . . 4.780 4.594 4.552 4.651 . 0 0 "[ . 1]" 1
67 1 14 ASN HA 1 17 LEU H . . 4.220 3.793 3.733 3.910 . 0 0 "[ . 1]" 1
68 1 15 ASP H 1 15 ASP QB . . 3.430 2.209 2.048 2.554 . 0 0 "[ . 1]" 1
69 1 15 ASP H 1 16 GLU H . . 2.730 2.725 2.651 2.766 0.036 5 0 "[ . 1]" 1
70 1 15 ASP H 1 17 LEU H . . 4.700 4.367 4.299 4.407 . 0 0 "[ . 1]" 1
71 1 16 GLU H 1 16 GLU HB2 . . 3.530 2.328 2.214 2.612 . 0 0 "[ . 1]" 1
72 1 16 GLU H 1 16 GLU QB . . 3.090 2.221 2.192 2.249 . 0 0 "[ . 1]" 1
73 1 16 GLU H 1 16 GLU HB3 . . 3.530 3.215 2.438 3.530 . 0 0 "[ . 1]" 1
74 1 16 GLU H 1 16 GLU QG . . 4.920 3.118 2.670 3.991 . 0 0 "[ . 1]" 1
75 1 16 GLU H 1 17 LEU H . . 3.550 2.825 2.777 2.853 . 0 0 "[ . 1]" 1
76 1 16 GLU HA 1 17 LEU H . . 3.530 3.555 3.554 3.558 0.028 10 0 "[ . 1]" 1
77 1 16 GLU QB 1 17 LEU H . . 3.840 2.503 2.429 2.548 . 0 0 "[ . 1]" 1
78 1 17 LEU H 1 17 LEU QB . . 3.300 2.096 2.030 2.222 . 0 0 "[ . 1]" 1
79 1 17 LEU H 1 17 LEU QD . . 3.290 2.974 2.160 3.286 . 0 0 "[ . 1]" 1
80 1 17 LEU H 1 17 LEU HG . . 4.220 3.648 2.857 4.178 . 0 0 "[ . 1]" 1
81 1 17 LEU H 1 18 ASN H . . 3.350 2.550 2.528 2.575 . 0 0 "[ . 1]" 1
82 1 17 LEU HB2 1 18 ASN H . . 5.500 3.356 2.910 4.178 . 0 0 "[ . 1]" 1
83 1 17 LEU HB3 1 18 ASN H . . 5.500 3.334 3.079 3.765 . 0 0 "[ . 1]" 1
84 1 17 LEU QD 1 18 ASN H . . 4.690 3.954 3.110 4.226 . 0 0 "[ . 1]" 1
85 1 17 LEU MD1 1 18 ASN H . . 5.500 4.371 3.289 4.767 . 0 0 "[ . 1]" 1
86 1 17 LEU MD2 1 18 ASN H . . 5.500 4.551 3.834 4.822 . 0 0 "[ . 1]" 1
87 1 18 ASN H 1 18 ASN QB . . 3.510 2.143 2.044 2.257 . 0 0 "[ . 1]" 1
88 1 18 ASN H 1 19 LYS H . . 3.710 2.886 2.821 2.919 . 0 0 "[ . 1]" 1
89 1 18 ASN H 1 19 LYS QD . . 5.340 4.327 3.823 4.595 . 0 0 "[ . 1]" 1
90 1 18 ASN HA 1 21 GLN H . . 4.790 4.058 3.994 4.108 . 0 0 "[ . 1]" 1
91 1 18 ASN QB 1 19 LYS H . . 4.070 2.250 2.129 2.360 . 0 0 "[ . 1]" 1
92 1 19 LYS H 1 19 LYS QD . . 3.420 2.445 1.875 2.787 . 0 0 "[ . 1]" 1
93 1 19 LYS H 1 19 LYS QE . . 3.760 3.495 3.125 3.860 0.100 1 0 "[ . 1]" 1
94 1 19 LYS H 1 19 LYS HG2 . . 4.730 3.758 3.644 3.908 . 0 0 "[ . 1]" 1
95 1 19 LYS H 1 19 LYS HG3 . . 4.730 2.553 2.136 3.315 . 0 0 "[ . 1]" 1
96 1 19 LYS H 1 20 MET H . . 2.730 2.705 2.682 2.732 0.002 7 0 "[ . 1]" 1
97 1 19 LYS H 1 21 GLN H . . 4.970 4.384 4.367 4.398 . 0 0 "[ . 1]" 1
98 1 19 LYS QB 1 20 MET H . . 3.670 2.414 2.390 2.446 . 0 0 "[ . 1]" 1
99 1 19 LYS HB2 1 20 MET H . . 4.460 2.457 2.425 2.503 . 0 0 "[ . 1]" 1
100 1 19 LYS HB3 1 20 MET H . . 4.460 3.560 3.436 3.635 . 0 0 "[ . 1]" 1
101 1 19 LYS QD 1 20 MET H . . 3.670 3.756 3.696 3.810 0.140 1 0 "[ . 1]" 1
102 1 19 LYS QG 1 20 MET H . . 4.670 4.171 4.045 4.383 . 0 0 "[ . 1]" 1
103 1 20 MET H 1 20 MET QB . . 3.250 2.256 2.237 2.312 . 0 0 "[ . 1]" 1
104 1 20 MET H 1 20 MET QG . . 4.210 3.688 2.481 4.047 . 0 0 "[ . 1]" 1
105 1 20 MET H 1 21 GLN H . . 3.550 2.899 2.876 2.913 . 0 0 "[ . 1]" 1
106 1 20 MET HA 1 23 PHE H . . 4.350 3.687 3.595 3.742 . 0 0 "[ . 1]" 1
107 1 21 GLN H 1 21 GLN HB2 . . 3.910 2.451 2.335 2.639 . 0 0 "[ . 1]" 1
108 1 21 GLN H 1 21 GLN QB . . 3.430 2.276 2.223 2.347 . 0 0 "[ . 1]" 1
109 1 21 GLN H 1 21 GLN HB3 . . 3.910 2.949 2.412 3.573 . 0 0 "[ . 1]" 1
110 1 21 GLN H 1 21 GLN HG2 . . 5.190 3.761 2.465 4.619 . 0 0 "[ . 1]" 1
111 1 21 GLN H 1 21 GLN QG . . 4.430 3.398 2.413 4.043 . 0 0 "[ . 1]" 1
112 1 21 GLN H 1 21 GLN HG3 . . 5.190 3.994 3.217 4.489 . 0 0 "[ . 1]" 1
113 1 21 GLN H 1 22 ALA H . . 3.720 2.730 2.672 2.775 . 0 0 "[ . 1]" 1
114 1 21 GLN H 1 23 PHE H . . 5.500 4.301 4.291 4.336 . 0 0 "[ . 1]" 1
115 1 21 GLN QB 1 22 ALA H . . 4.020 2.532 2.462 2.676 . 0 0 "[ . 1]" 1
116 1 21 GLN HB2 1 22 ALA H . . 4.610 3.361 2.577 3.964 . 0 0 "[ . 1]" 1
117 1 21 GLN HB3 1 22 ALA H . . 4.610 2.915 2.498 3.520 . 0 0 "[ . 1]" 1
118 1 22 ALA H 1 22 ALA MB . . 3.230 2.151 2.059 2.234 . 0 0 "[ . 1]" 1
119 1 22 ALA H 1 23 PHE H . . 3.380 2.755 2.668 2.787 . 0 0 "[ . 1]" 1
120 1 22 ALA MB 1 23 PHE H . . 3.950 2.532 2.438 2.596 . 0 0 "[ . 1]" 1
121 1 22 ALA MB 1 24 ILE H . . 5.280 4.572 4.557 4.600 . 0 0 "[ . 1]" 1
122 1 23 PHE H 1 23 PHE QB . . 3.290 2.177 2.089 2.392 . 0 0 "[ . 1]" 1
123 1 23 PHE H 1 23 PHE HD2 . . 5.290 4.787 3.243 5.188 . 0 0 "[ . 1]" 1
124 1 23 PHE H 1 23 PHE HE1 . . 5.260 5.044 4.648 5.859 0.599 7 1 "[ . + 1]" 1
125 1 23 PHE H 1 24 ILE H . . 2.980 2.738 2.726 2.751 . 0 0 "[ . 1]" 1
126 1 23 PHE HA 1 25 ARG H . . 4.060 4.190 4.180 4.218 0.158 10 0 "[ . 1]" 1
127 1 23 PHE QB 1 24 ILE H . . 3.960 2.583 2.462 2.628 . 0 0 "[ . 1]" 1
128 1 23 PHE HB2 1 24 ILE H . . 4.830 2.754 2.519 2.890 . 0 0 "[ . 1]" 1
129 1 23 PHE HB3 1 24 ILE H . . 4.830 3.175 3.021 3.469 . 0 0 "[ . 1]" 1
130 1 24 ILE H 1 24 ILE HB . . 3.710 2.624 2.486 3.622 . 0 0 "[ . 1]" 1
131 1 24 ILE H 1 24 ILE HG12 . . 5.500 2.826 2.095 4.522 . 0 0 "[ . 1]" 1
132 1 24 ILE H 1 24 ILE HG13 . . 5.500 3.203 2.113 4.419 . 0 0 "[ . 1]" 1
133 1 24 ILE H 1 24 ILE MG . . 4.130 3.447 2.057 3.766 . 0 0 "[ . 1]" 1
134 1 24 ILE H 1 25 ARG H . . 2.890 2.560 2.529 2.576 . 0 0 "[ . 1]" 1
135 1 24 ILE HG12 1 25 ARG H . . 5.500 4.410 2.712 5.169 . 0 0 "[ . 1]" 1
136 1 24 ILE HG13 1 25 ARG H . . 5.500 4.586 2.462 5.145 . 0 0 "[ . 1]" 1
137 1 24 ILE MG 1 25 ARG H . . 4.430 3.556 2.291 3.952 . 0 0 "[ . 1]" 1
138 1 25 ARG H 1 25 ARG QB . . 3.070 2.173 2.064 2.265 . 0 0 "[ . 1]" 1
139 1 25 ARG H 1 25 ARG HD2 . . 5.380 4.846 4.168 5.263 . 0 0 "[ . 1]" 1
140 1 25 ARG H 1 25 ARG QD . . 4.570 4.189 3.491 4.470 . 0 0 "[ . 1]" 1
141 1 25 ARG H 1 25 ARG HD3 . . 5.380 4.726 3.559 5.337 . 0 0 "[ . 1]" 1
142 1 25 ARG H 1 25 ARG HG2 . . 4.660 4.004 2.687 4.637 . 0 0 "[ . 1]" 1
143 1 25 ARG H 1 25 ARG QG . . 3.850 3.389 2.617 3.914 0.064 1 0 "[ . 1]" 1
144 1 25 ARG H 1 25 ARG HG3 . . 4.660 3.826 2.856 4.405 . 0 0 "[ . 1]" 1
145 1 25 ARG QG 1 26 LYS H . . 5.040 3.865 3.239 4.335 . 0 0 "[ . 1]" 1
146 1 26 LYS H 1 26 LYS QB . . 3.430 2.152 2.055 2.254 . 0 0 "[ . 1]" 1
147 1 26 LYS H 1 26 LYS QG . . 5.080 3.799 3.307 4.002 . 0 0 "[ . 1]" 1
148 1 26 LYS H 1 27 GLU H . . 5.500 2.609 2.560 2.651 . 0 0 "[ . 1]" 1
149 1 28 ALA H 1 28 ALA MB . . 3.470 2.228 2.211 2.238 . 0 0 "[ . 1]" 1
150 1 28 ALA H 1 29 GLU H . . 3.500 2.665 2.613 2.695 . 0 0 "[ . 1]" 1
151 1 28 ALA MB 1 29 GLU H . . 3.540 2.499 2.427 2.599 . 0 0 "[ . 1]" 1
152 1 29 GLU H 1 30 GLU H . . 5.500 2.680 2.570 2.760 . 0 0 "[ . 1]" 1
153 1 30 GLU H 1 31 LYS H . . 3.560 2.695 2.654 2.766 . 0 0 "[ . 1]" 1
154 1 30 GLU H 1 32 ALA H . . 4.210 4.154 3.980 4.208 . 0 0 "[ . 1]" 1
155 1 30 GLU H 1 32 ALA MB . . 5.500 4.797 4.605 4.944 . 0 0 "[ . 1]" 1
156 1 31 LYS H 1 31 LYS HB2 . . 3.880 2.467 2.084 3.593 . 0 0 "[ . 1]" 1
157 1 31 LYS H 1 31 LYS QB . . 3.200 2.213 2.066 2.517 . 0 0 "[ . 1]" 1
158 1 31 LYS H 1 31 LYS HB3 . . 3.880 2.858 2.439 3.480 . 0 0 "[ . 1]" 1
159 1 31 LYS H 1 32 ALA H . . 4.470 2.703 2.627 2.753 . 0 0 "[ . 1]" 1
160 1 31 LYS H 1 33 LYS H . . 5.500 4.201 4.159 4.230 . 0 0 "[ . 1]" 1
161 1 31 LYS HB2 1 32 ALA H . . 5.500 3.474 2.726 3.899 . 0 0 "[ . 1]" 1
162 1 31 LYS HB3 1 32 ALA H . . 5.500 2.828 2.443 3.922 . 0 0 "[ . 1]" 1
163 1 31 LYS HG2 1 32 ALA H . . 5.500 4.115 2.469 5.104 . 0 0 "[ . 1]" 1
164 1 31 LYS HG3 1 32 ALA H . . 5.500 4.376 2.266 4.887 . 0 0 "[ . 1]" 1
165 1 32 ALA H 1 32 ALA MB . . 3.470 2.215 2.149 2.234 . 0 0 "[ . 1]" 1
166 1 32 ALA H 1 33 LYS H . . 3.400 2.712 2.669 2.751 . 0 0 "[ . 1]" 1
167 1 32 ALA MB 1 33 LYS H . . 3.920 2.500 2.424 2.555 . 0 0 "[ . 1]" 1
168 1 33 LYS H 1 33 LYS HD2 . . 5.500 4.823 4.528 5.091 . 0 0 "[ . 1]" 1
169 1 33 LYS H 1 33 LYS HD3 . . 5.500 4.919 4.225 5.378 . 0 0 "[ . 1]" 1
170 1 33 LYS H 1 34 GLU H . . 2.990 2.641 2.599 2.761 . 0 0 "[ . 1]" 1
171 1 33 LYS H 1 35 ILE H . . 4.360 4.291 4.249 4.336 . 0 0 "[ . 1]" 1
172 1 33 LYS QB 1 34 GLU H . . 3.760 2.625 2.521 2.689 . 0 0 "[ . 1]" 1
173 1 33 LYS HB2 1 34 GLU H . . 4.360 3.379 2.682 3.994 . 0 0 "[ . 1]" 1
174 1 33 LYS HB3 1 34 GLU H . . 4.360 2.917 2.557 3.401 . 0 0 "[ . 1]" 1
175 1 33 LYS QG 1 34 GLU H . . 4.900 4.048 3.597 4.492 . 0 0 "[ . 1]" 1
176 1 34 GLU H 1 34 GLU QB . . 3.350 2.157 2.043 2.250 . 0 0 "[ . 1]" 1
177 1 34 GLU H 1 35 ILE H . . 3.400 2.730 2.713 2.769 . 0 0 "[ . 1]" 1
178 1 34 GLU HB2 1 35 ILE H . . 5.500 3.380 2.663 3.792 . 0 0 "[ . 1]" 1
179 1 34 GLU HB3 1 35 ILE H . . 5.500 2.599 2.424 3.167 . 0 0 "[ . 1]" 1
180 1 35 ILE H 1 35 ILE HB . . 3.570 2.528 2.524 2.537 . 0 0 "[ . 1]" 1
181 1 35 ILE H 1 35 ILE HG12 . . 4.580 2.998 2.151 3.624 . 0 0 "[ . 1]" 1
182 1 35 ILE H 1 35 ILE QG . . 4.010 2.122 2.079 2.138 . 0 0 "[ . 1]" 1
183 1 35 ILE H 1 35 ILE HG13 . . 4.580 2.717 2.094 3.604 . 0 0 "[ . 1]" 1
184 1 35 ILE HB 1 36 GLN H . . 3.210 2.788 2.688 2.880 . 0 0 "[ . 1]" 1
185 1 36 GLN H 1 37 LEU H . . 3.940 2.614 2.532 2.625 . 0 0 "[ . 1]" 1
186 1 36 GLN HB2 1 37 LEU H . . 5.500 3.246 2.651 3.832 . 0 0 "[ . 1]" 1
187 1 36 GLN HB3 1 37 LEU H . . 5.500 2.876 2.450 3.629 . 0 0 "[ . 1]" 1
188 1 37 LEU H 1 37 LEU QD . . 3.890 3.105 3.036 3.655 . 0 0 "[ . 1]" 1
189 1 37 LEU H 1 37 LEU HG . . 3.560 2.786 2.651 3.742 0.182 9 0 "[ . 1]" 1
190 1 37 LEU H 1 38 LYS H . . 4.320 2.533 2.525 2.580 . 0 0 "[ . 1]" 1
191 1 37 LEU H 1 39 ALA H . . 4.530 4.236 3.985 4.274 . 0 0 "[ . 1]" 1
192 1 37 LEU HA 1 40 ASP H . . 4.180 3.671 3.608 3.762 . 0 0 "[ . 1]" 1
193 1 37 LEU QD 1 38 LYS H . . 3.430 2.933 2.821 3.345 . 0 0 "[ . 1]" 1
194 1 37 LEU HG 1 38 LYS H . . 3.490 2.121 2.052 2.509 . 0 0 "[ . 1]" 1
195 1 38 LYS H 1 38 LYS HB2 . . 3.740 2.473 2.219 3.600 . 0 0 "[ . 1]" 1
196 1 38 LYS H 1 38 LYS QB . . 3.140 2.232 2.056 2.562 . 0 0 "[ . 1]" 1
197 1 38 LYS H 1 38 LYS HB3 . . 3.740 3.291 2.079 3.530 . 0 0 "[ . 1]" 1
198 1 38 LYS H 1 38 LYS QG . . 3.360 2.796 1.991 3.456 0.096 8 0 "[ . 1]" 1
199 1 38 LYS H 1 39 ALA H . . 3.620 2.618 2.548 2.639 . 0 0 "[ . 1]" 1
200 1 38 LYS H 1 39 ALA MB . . 5.010 4.279 4.171 4.318 . 0 0 "[ . 1]" 1
201 1 38 LYS H 1 40 ASP H . . 4.720 4.056 3.960 4.178 . 0 0 "[ . 1]" 1
202 1 38 LYS HB2 1 39 ALA H . . 5.500 2.878 2.611 4.089 . 0 0 "[ . 1]" 1
203 1 38 LYS HB3 1 39 ALA H . . 5.500 3.291 3.043 3.930 . 0 0 "[ . 1]" 1
204 1 38 LYS QE 1 39 ALA H . . 5.340 4.964 4.297 5.173 . 0 0 "[ . 1]" 1
205 1 39 ALA H 1 39 ALA MB . . 3.480 2.189 2.064 2.241 . 0 0 "[ . 1]" 1
206 1 39 ALA H 1 40 ASP H . . 4.400 2.643 2.605 2.675 . 0 0 "[ . 1]" 1
207 1 39 ALA MB 1 40 ASP H . . 4.140 2.521 2.422 2.623 . 0 0 "[ . 1]" 1
208 1 40 ASP H 1 40 ASP HB2 . . 3.850 2.438 2.269 2.594 . 0 0 "[ . 1]" 1
209 1 40 ASP H 1 40 ASP QB . . 3.340 2.256 2.234 2.275 . 0 0 "[ . 1]" 1
210 1 40 ASP H 1 40 ASP HB3 . . 3.850 2.866 2.479 3.555 . 0 0 "[ . 1]" 1
211 1 40 ASP H 1 41 GLN H . . 4.920 2.648 2.560 2.685 . 0 0 "[ . 1]" 1
212 1 40 ASP QB 1 41 GLN H . . 3.600 2.558 2.512 2.640 . 0 0 "[ . 1]" 1
213 1 40 ASP HB2 1 41 GLN H . . 4.110 3.490 2.672 3.896 . 0 0 "[ . 1]" 1
214 1 40 ASP HB3 1 41 GLN H . . 4.110 2.831 2.552 3.426 . 0 0 "[ . 1]" 1
215 1 41 GLN H 1 41 GLN QG . . 4.090 3.337 2.549 3.990 . 0 0 "[ . 1]" 1
216 1 41 GLN H 1 42 GLU H . . 3.540 2.670 2.626 2.688 . 0 0 "[ . 1]" 1
217 1 41 GLN HA 1 43 TYR H . . 4.320 4.309 4.290 4.347 0.027 9 0 "[ . 1]" 1
218 1 42 GLU H 1 42 GLU QB . . 3.120 2.226 2.101 2.315 . 0 0 "[ . 1]" 1
219 1 42 GLU H 1 43 TYR H . . 3.480 2.568 2.544 2.584 . 0 0 "[ . 1]" 1
220 1 42 GLU H 1 43 TYR HA . . 5.130 5.192 5.170 5.207 0.077 3 0 "[ . 1]" 1
221 1 42 GLU QB 1 43 TYR H . . 3.770 2.822 2.685 3.496 . 0 0 "[ . 1]" 1
222 1 43 TYR H 1 43 TYR HB2 . . 3.760 2.244 2.132 2.901 . 0 0 "[ . 1]" 1
223 1 43 TYR H 1 43 TYR QB . . 3.040 2.143 2.113 2.167 . 0 0 "[ . 1]" 1
224 1 43 TYR H 1 43 TYR HB3 . . 3.760 3.231 2.237 3.495 . 0 0 "[ . 1]" 1
225 1 43 TYR H 1 43 TYR HD1 . . 4.080 3.264 2.501 4.627 0.547 6 1 "[ .+ 1]" 1
226 1 43 TYR H 1 44 GLU H . . 2.850 2.580 2.542 2.649 . 0 0 "[ . 1]" 1
227 1 44 GLU H 1 45 ILE H . . 2.870 2.660 2.646 2.701 . 0 0 "[ . 1]" 1
228 1 44 GLU H 1 46 GLU H . . 5.500 4.051 3.879 4.139 . 0 0 "[ . 1]" 1
229 1 44 GLU HA 1 47 LYS H . . 4.390 3.720 3.545 3.773 . 0 0 "[ . 1]" 1
230 1 44 GLU HA 1 48 THR H . . 5.240 3.932 3.757 4.035 . 0 0 "[ . 1]" 1
231 1 44 GLU HB2 1 45 ILE H . . 5.500 3.477 3.017 3.805 . 0 0 "[ . 1]" 1
232 1 44 GLU HB3 1 45 ILE H . . 5.500 2.512 2.429 2.779 . 0 0 "[ . 1]" 1
233 1 45 ILE H 1 45 ILE HB . . 3.510 2.624 2.495 3.616 0.106 9 0 "[ . 1]" 1
234 1 45 ILE H 1 45 ILE MD . . 3.740 3.350 3.229 3.570 . 0 0 "[ . 1]" 1
235 1 45 ILE H 1 45 ILE HG12 . . 4.270 2.832 2.172 3.598 . 0 0 "[ . 1]" 1
236 1 45 ILE H 1 45 ILE QG . . 3.690 2.110 1.933 2.163 . 0 0 "[ . 1]" 1
237 1 45 ILE H 1 45 ILE HG13 . . 4.270 2.836 1.951 3.598 . 0 0 "[ . 1]" 1
238 1 45 ILE H 1 45 ILE MG . . 3.930 3.610 2.249 3.764 . 0 0 "[ . 1]" 1
239 1 45 ILE H 1 46 GLU H . . 3.680 2.662 2.571 2.711 . 0 0 "[ . 1]" 1
240 1 45 ILE MD 1 46 GLU H . . 5.090 4.311 2.518 4.679 . 0 0 "[ . 1]" 1
241 1 45 ILE QG 1 46 GLU H . . 5.340 3.832 2.089 4.058 . 0 0 "[ . 1]" 1
242 1 45 ILE MG 1 46 GLU H . . 4.870 3.448 3.304 3.966 . 0 0 "[ . 1]" 1
243 1 46 GLU H 1 47 LYS H . . 3.350 2.701 2.598 2.742 . 0 0 "[ . 1]" 1
244 1 46 GLU HB2 1 47 LYS H . . 5.500 3.441 2.572 3.882 . 0 0 "[ . 1]" 1
245 1 46 GLU HB3 1 47 LYS H . . 5.500 2.722 2.432 3.300 . 0 0 "[ . 1]" 1
246 1 47 LYS H 1 47 LYS HD2 . . 5.500 4.635 3.770 5.239 . 0 0 "[ . 1]" 1
247 1 47 LYS H 1 47 LYS HD3 . . 5.500 4.695 3.861 5.190 . 0 0 "[ . 1]" 1
248 1 47 LYS H 1 47 LYS HG2 . . 5.290 4.385 3.821 4.611 . 0 0 "[ . 1]" 1
249 1 47 LYS H 1 47 LYS QG . . 4.590 3.735 2.567 4.035 . 0 0 "[ . 1]" 1
250 1 47 LYS H 1 47 LYS HG3 . . 5.290 4.133 2.609 4.534 . 0 0 "[ . 1]" 1
251 1 47 LYS H 1 48 THR H . . 3.860 2.739 2.684 2.780 . 0 0 "[ . 1]" 1
252 1 47 LYS HG2 1 48 THR H . . 5.500 4.318 3.467 5.024 . 0 0 "[ . 1]" 1
253 1 47 LYS HG3 1 48 THR H . . 5.500 4.490 3.511 4.954 . 0 0 "[ . 1]" 1
254 1 48 THR H 1 48 THR MG . . 4.030 3.461 2.054 3.768 . 0 0 "[ . 1]" 1
255 1 48 THR H 1 49 ASN H . . 4.180 2.641 2.583 2.680 . 0 0 "[ . 1]" 1
256 1 48 THR H 1 49 ASN HA . . 5.500 5.248 5.201 5.281 . 0 0 "[ . 1]" 1
257 1 48 THR HA 1 51 VAL H . . 4.070 3.646 3.546 3.699 . 0 0 "[ . 1]" 1
258 1 48 THR HA 1 52 ARG H . . 5.500 3.789 3.618 4.016 . 0 0 "[ . 1]" 1
259 1 49 ASN H 1 49 ASN HB2 . . 3.850 2.438 2.100 2.800 . 0 0 "[ . 1]" 1
260 1 49 ASN H 1 49 ASN QB . . 3.210 2.193 2.081 2.253 . 0 0 "[ . 1]" 1
261 1 49 ASN H 1 49 ASN HB3 . . 3.850 2.867 2.299 3.523 . 0 0 "[ . 1]" 1
262 1 49 ASN H 1 50 ILE H . . 5.190 2.704 2.648 2.784 . 0 0 "[ . 1]" 1
263 1 49 ASN H 1 51 VAL H . . 5.500 4.122 4.080 4.169 . 0 0 "[ . 1]" 1
264 1 49 ASN HA 1 52 ARG H . . 5.500 3.629 3.512 3.730 . 0 0 "[ . 1]" 1
265 1 49 ASN QB 1 50 ILE H . . 4.310 2.479 2.343 2.555 . 0 0 "[ . 1]" 1
266 1 49 ASN HB2 1 50 ILE H . . 4.960 3.375 2.602 3.947 . 0 0 "[ . 1]" 1
267 1 49 ASN HB3 1 50 ILE H . . 4.960 2.706 2.374 3.229 . 0 0 "[ . 1]" 1
268 1 50 ILE H 1 50 ILE HB . . 3.510 2.544 2.523 2.554 . 0 0 "[ . 1]" 1
269 1 50 ILE H 1 50 ILE MD . . 3.540 3.240 3.016 3.370 . 0 0 "[ . 1]" 1
270 1 50 ILE H 1 50 ILE HG12 . . 4.440 3.121 2.062 3.692 . 0 0 "[ . 1]" 1
271 1 50 ILE H 1 50 ILE HG13 . . 4.440 2.536 2.052 3.556 . 0 0 "[ . 1]" 1
272 1 50 ILE H 1 50 ILE MG . . 4.300 3.764 3.762 3.765 . 0 0 "[ . 1]" 1
273 1 50 ILE H 1 51 VAL H . . 3.630 2.710 2.655 2.764 . 0 0 "[ . 1]" 1
274 1 50 ILE H 1 51 VAL QG . . 4.850 4.150 4.080 4.221 . 0 0 "[ . 1]" 1
275 1 50 ILE H 1 52 ARG H . . 5.270 4.124 4.041 4.227 . 0 0 "[ . 1]" 1
276 1 50 ILE HA 1 51 VAL H . . 3.560 3.549 3.548 3.549 . 0 0 "[ . 1]" 1
277 1 50 ILE HA 1 53 ASN H . . 5.500 3.661 3.548 3.748 . 0 0 "[ . 1]" 1
278 1 50 ILE HB 1 51 VAL H . . 4.070 2.525 2.523 2.531 . 0 0 "[ . 1]" 1
279 1 50 ILE HG12 1 51 VAL H . . 5.500 4.782 4.170 5.091 . 0 0 "[ . 1]" 1
280 1 50 ILE HG13 1 51 VAL H . . 5.500 4.417 4.199 4.852 . 0 0 "[ . 1]" 1
281 1 50 ILE MG 1 51 VAL H . . 3.590 3.411 3.350 3.444 . 0 0 "[ . 1]" 1
282 1 51 VAL H 1 51 VAL HB . . 3.650 2.528 2.513 2.546 . 0 0 "[ . 1]" 1
283 1 51 VAL H 1 51 VAL MG1 . . 4.130 3.764 3.763 3.765 . 0 0 "[ . 1]" 1
284 1 51 VAL H 1 51 VAL QG . . 3.560 2.192 2.070 2.257 . 0 0 "[ . 1]" 1
285 1 51 VAL H 1 51 VAL MG2 . . 4.130 2.207 2.079 2.274 . 0 0 "[ . 1]" 1
286 1 51 VAL H 1 52 ARG H . . 4.310 2.647 2.573 2.725 . 0 0 "[ . 1]" 1
287 1 51 VAL H 1 53 ASN H . . 5.500 4.225 4.007 4.360 . 0 0 "[ . 1]" 1
288 1 51 VAL HA 1 54 GLU H . . 4.830 3.678 3.623 3.730 . 0 0 "[ . 1]" 1
289 1 51 VAL HB 1 52 ARG H . . 5.500 2.621 2.517 2.756 . 0 0 "[ . 1]" 1
290 1 51 VAL QG 1 52 ARG H . . 4.070 3.235 3.169 3.301 . 0 0 "[ . 1]" 1
291 1 51 VAL MG1 1 52 ARG H . . 4.770 3.480 3.391 3.568 . 0 0 "[ . 1]" 1
292 1 51 VAL MG2 1 52 ARG H . . 4.770 3.845 3.807 3.900 . 0 0 "[ . 1]" 1
293 1 52 ARG H 1 52 ARG HD2 . . 5.500 4.749 3.189 5.459 . 0 0 "[ . 1]" 1
294 1 52 ARG H 1 52 ARG HD3 . . 5.500 4.556 3.545 5.128 . 0 0 "[ . 1]" 1
295 1 52 ARG H 1 52 ARG HG2 . . 5.400 4.044 2.766 4.620 . 0 0 "[ . 1]" 1
296 1 52 ARG H 1 52 ARG QG . . 4.630 3.488 2.663 4.042 . 0 0 "[ . 1]" 1
297 1 52 ARG H 1 52 ARG HG3 . . 5.400 3.932 2.982 4.619 . 0 0 "[ . 1]" 1
298 1 52 ARG H 1 53 ASN H . . 4.580 2.674 2.575 2.755 . 0 0 "[ . 1]" 1
299 1 52 ARG H 1 54 GLU H . . 4.260 4.200 4.064 4.278 0.018 10 0 "[ . 1]" 1
300 1 52 ARG HB2 1 53 ASN H . . 5.500 3.307 2.616 3.901 . 0 0 "[ . 1]" 1
301 1 52 ARG HB3 1 53 ASN H . . 5.500 2.850 2.440 3.581 . 0 0 "[ . 1]" 1
302 1 52 ARG QD 1 53 ASN H . . 5.340 4.570 2.972 5.058 . 0 0 "[ . 1]" 1
303 1 52 ARG HG2 1 53 ASN H . . 5.500 4.381 3.553 4.985 . 0 0 "[ . 1]" 1
304 1 52 ARG HG3 1 53 ASN H . . 5.500 4.666 4.041 4.994 . 0 0 "[ . 1]" 1
305 1 53 ASN H 1 54 GLU H . . 3.160 2.699 2.627 2.756 . 0 0 "[ . 1]" 1
306 1 53 ASN H 1 55 THR H . . 5.500 4.198 3.918 4.297 . 0 0 "[ . 1]" 1
307 1 53 ASN QB 1 54 GLU H . . 4.440 2.493 2.399 2.562 . 0 0 "[ . 1]" 1
308 1 53 ASN QB 1 55 THR H . . 4.990 4.783 4.609 4.873 . 0 0 "[ . 1]" 1
309 1 53 ASN QB 1 56 ASN H . . 5.340 5.095 5.022 5.140 . 0 0 "[ . 1]" 1
310 1 54 GLU H 1 55 THR H . . 5.090 2.723 2.571 2.777 . 0 0 "[ . 1]" 1
311 1 54 GLU H 1 56 ASN H . . 5.500 4.187 4.135 4.234 . 0 0 "[ . 1]" 1
312 1 54 GLU HA 1 57 ASN H . . 4.630 3.535 3.416 3.611 . 0 0 "[ . 1]" 1
313 1 55 THR H 1 55 THR MG . . 4.350 3.764 3.748 3.767 . 0 0 "[ . 1]" 1
314 1 55 THR H 1 56 ASN H . . 4.580 2.707 2.629 2.765 . 0 0 "[ . 1]" 1
315 1 55 THR H 1 57 ASN H . . 4.160 4.037 3.903 4.149 . 0 0 "[ . 1]" 1
316 1 55 THR H 1 57 ASN QB . . 5.340 4.812 4.641 4.916 . 0 0 "[ . 1]" 1
317 1 55 THR HB 1 56 ASN H . . 4.930 2.547 2.517 2.580 . 0 0 "[ . 1]" 1
318 1 55 THR MG 1 56 ASN H . . 5.500 3.445 3.375 3.652 . 0 0 "[ . 1]" 1
319 1 56 ASN H 1 57 ASN QB . . 5.340 4.346 4.269 4.397 . 0 0 "[ . 1]" 1
320 1 56 ASN HA 1 59 ASP H . . 5.140 3.739 3.611 3.795 . 0 0 "[ . 1]" 1
321 1 56 ASN HA 1 60 GLY H . . 5.500 3.668 3.356 3.876 . 0 0 "[ . 1]" 1
322 1 57 ASN H 1 57 ASN QB . . 3.400 2.196 2.084 2.255 . 0 0 "[ . 1]" 1
323 1 57 ASN H 1 58 ILE H . . 4.100 2.744 2.651 2.816 . 0 0 "[ . 1]" 1
324 1 58 ILE H 1 58 ILE HB . . 3.750 2.666 2.538 3.617 . 0 0 "[ . 1]" 1
325 1 58 ILE H 1 58 ILE MD . . 3.620 3.304 3.132 3.629 0.009 5 0 "[ . 1]" 1
326 1 58 ILE H 1 58 ILE HG12 . . 4.120 2.581 2.018 3.537 . 0 0 "[ . 1]" 1
327 1 58 ILE H 1 58 ILE QG . . 3.580 2.036 1.990 2.080 . 0 0 "[ . 1]" 1
328 1 58 ILE H 1 58 ILE HG13 . . 4.120 2.947 2.013 3.566 . 0 0 "[ . 1]" 1
329 1 58 ILE H 1 58 ILE MG . . 3.810 3.608 2.200 3.767 . 0 0 "[ . 1]" 1
330 1 58 ILE H 1 59 ASP H . . 4.050 2.698 2.582 2.769 . 0 0 "[ . 1]" 1
331 1 58 ILE H 1 60 GLY H . . 4.200 4.148 4.079 4.205 0.005 5 0 "[ . 1]" 1
332 1 58 ILE HB 1 59 ASP H . . 4.000 2.672 2.517 3.767 . 0 0 "[ . 1]" 1
333 1 58 ILE MD 1 59 ASP H . . 5.440 4.351 2.541 4.649 . 0 0 "[ . 1]" 1
334 1 58 ILE QG 1 59 ASP H . . 5.170 3.762 1.988 4.005 . 0 0 "[ . 1]" 1
335 1 59 ASP H 1 59 ASP QB . . 3.620 2.253 2.219 2.295 . 0 0 "[ . 1]" 1
336 1 59 ASP H 1 60 GLY H . . 3.440 2.641 2.611 2.687 . 0 0 "[ . 1]" 1
337 1 59 ASP H 1 61 ASN H . . 4.130 4.118 4.066 4.130 0.000 9 0 "[ . 1]" 1
338 1 59 ASP QB 1 60 GLY H . . 4.290 2.604 2.566 2.649 . 0 0 "[ . 1]" 1
339 1 59 ASP HB2 1 60 GLY H . . 5.030 3.688 2.655 4.007 . 0 0 "[ . 1]" 1
340 1 59 ASP HB3 1 60 GLY H . . 5.030 2.808 2.600 3.462 . 0 0 "[ . 1]" 1
341 1 61 ASN H 1 62 PHE H . . 5.500 2.624 2.597 2.661 . 0 0 "[ . 1]" 1
342 1 61 ASN HA 1 62 PHE H . . 3.550 3.551 3.549 3.553 0.003 5 0 "[ . 1]" 1
343 1 62 PHE H 1 62 PHE QB . . 3.620 2.232 2.229 2.237 . 0 0 "[ . 1]" 1
344 1 62 PHE H 1 62 PHE HD1 . . 4.150 2.100 2.096 2.106 . 0 0 "[ . 1]" 1
345 1 62 PHE H 1 62 PHE HE1 . . 4.540 4.540 4.537 4.545 0.005 5 0 "[ . 1]" 1
346 1 63 LYS H 1 63 LYS QD . . 4.550 4.257 3.926 4.497 . 0 0 "[ . 1]" 1
347 1 63 LYS H 1 63 LYS HG2 . . 5.260 3.876 2.745 4.589 . 0 0 "[ . 1]" 1
348 1 63 LYS H 1 63 LYS QG . . 4.440 3.440 2.572 4.032 . 0 0 "[ . 1]" 1
349 1 63 LYS H 1 63 LYS HG3 . . 5.260 3.980 2.620 4.632 . 0 0 "[ . 1]" 1
350 1 63 LYS H 1 64 SER H . . 3.760 2.660 2.596 2.749 . 0 0 "[ . 1]" 1
351 1 63 LYS QD 1 64 SER H . . 5.320 4.506 2.819 5.083 . 0 0 "[ . 1]" 1
352 1 64 SER H 1 65 LYS H . . 4.300 2.692 2.614 2.793 . 0 0 "[ . 1]" 1
353 1 64 SER QB 1 65 LYS H . . 4.420 2.669 2.327 3.353 . 0 0 "[ . 1]" 1
354 1 64 SER HB2 1 65 LYS H . . 5.110 3.697 2.525 3.956 . 0 0 "[ . 1]" 1
355 1 64 SER HB3 1 65 LYS H . . 5.110 2.874 2.349 3.865 . 0 0 "[ . 1]" 1
356 1 65 LYS H 1 65 LYS HG2 . . 5.470 4.461 3.836 4.619 . 0 0 "[ . 1]" 1
357 1 65 LYS H 1 65 LYS QG . . 4.750 3.845 2.772 4.033 . 0 0 "[ . 1]" 1
358 1 65 LYS H 1 65 LYS HG3 . . 5.470 4.227 2.844 4.451 . 0 0 "[ . 1]" 1
359 1 65 LYS H 1 66 LEU H . . 3.820 2.684 2.596 2.775 . 0 0 "[ . 1]" 1
360 1 66 LEU H 1 66 LEU MD1 . . 4.870 3.932 2.505 4.261 . 0 0 "[ . 1]" 1
361 1 66 LEU H 1 66 LEU QD . . 4.220 3.427 2.480 3.718 . 0 0 "[ . 1]" 1
362 1 66 LEU H 1 66 LEU MD2 . . 4.870 3.958 2.633 4.272 . 0 0 "[ . 1]" 1
363 1 66 LEU H 1 66 LEU HG . . 4.780 4.246 3.008 4.493 . 0 0 "[ . 1]" 1
364 1 66 LEU H 1 67 LYS H . . 4.200 2.678 2.579 2.760 . 0 0 "[ . 1]" 1
365 1 66 LEU H 1 68 LYS H . . 5.500 4.135 4.008 4.276 . 0 0 "[ . 1]" 1
366 1 67 LYS H 1 67 LYS HG2 . . 5.220 4.389 3.778 4.589 . 0 0 "[ . 1]" 1
367 1 67 LYS H 1 67 LYS QG . . 4.460 3.807 2.739 4.003 . 0 0 "[ . 1]" 1
368 1 67 LYS H 1 67 LYS HG3 . . 5.220 4.216 2.811 4.492 . 0 0 "[ . 1]" 1
369 1 67 LYS H 1 68 LYS H . . 4.860 2.632 2.583 2.704 . 0 0 "[ . 1]" 1
370 1 68 LYS H 1 68 LYS QE . . 5.340 4.879 4.416 5.337 . 0 0 "[ . 1]" 1
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