NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
427442 |
2hn8   |
7258 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2hn8
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 464
_Distance_constraint_stats_list.Viol_count 4341
_Distance_constraint_stats_list.Viol_total 8786.908
_Distance_constraint_stats_list.Viol_max 1.095
_Distance_constraint_stats_list.Viol_rms 0.0873
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0473
_Distance_constraint_stats_list.Viol_average_violations_only 0.1012
_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 VAL 0.017 0.007 8 0 "[ . 1 . 2]"
1 2 MET 6.436 0.245 15 0 "[ . 1 . 2]"
1 3 PRO 8.151 0.413 3 0 "[ . 1 . 2]"
1 4 LYS 11.034 0.413 3 0 "[ . 1 . 2]"
1 5 GLN 17.059 0.190 10 0 "[ . 1 . 2]"
1 6 ILE 31.755 0.461 13 0 "[ . 1 . 2]"
1 7 VAL 23.489 1.095 1 20 [+**-****************]
1 8 TYR 16.881 0.284 7 0 "[ . 1 . 2]"
1 9 TRP 19.056 0.228 15 0 "[ . 1 . 2]"
1 10 LYS 15.036 0.238 1 0 "[ . 1 . 2]"
1 11 GLN 39.673 1.095 1 20 [+**-****************]
1 12 TRP 25.042 0.178 2 0 "[ . 1 . 2]"
1 13 LEU 13.184 0.143 15 0 "[ . 1 . 2]"
1 14 SER 11.348 0.175 6 0 "[ . 1 . 2]"
1 15 LEU 24.661 0.244 10 0 "[ . 1 . 2]"
1 16 ARG 14.781 0.140 9 0 "[ . 1 . 2]"
1 17 ASN 18.117 0.183 13 0 "[ . 1 . 2]"
1 18 PRO 11.000 0.157 16 0 "[ . 1 . 2]"
1 19 ILE 20.075 0.176 15 0 "[ . 1 . 2]"
1 20 LEU 15.810 0.320 10 0 "[ . 1 . 2]"
1 21 VAL 21.119 0.320 10 0 "[ . 1 . 2]"
1 22 PHE 12.034 0.192 20 0 "[ . 1 . 2]"
1 23 LEU 19.507 0.974 14 2 "[ . 1 +. - 2]"
1 24 LYS 17.575 0.974 14 2 "[ . 1 +. - 2]"
1 25 THR 29.077 0.520 18 6 "[ - . * 1 * .* + *]"
1 26 ARG 18.172 0.520 18 6 "[ - . * 1 * .* + *]"
1 27 VAL 12.137 0.199 1 0 "[ . 1 . 2]"
1 28 LEU 19.982 0.180 19 0 "[ . 1 . 2]"
1 29 LYS 21.544 0.383 14 0 "[ . 1 . 2]"
1 30 ARG 42.581 0.383 14 0 "[ . 1 . 2]"
1 31 TRP 37.987 0.170 9 0 "[ . 1 . 2]"
1 32 ARG 13.878 0.182 20 0 "[ . 1 . 2]"
1 33 LEU 29.159 0.442 6 0 "[ . 1 . 2]"
1 34 PHE 21.798 0.181 20 0 "[ . 1 . 2]"
1 35 SER 17.527 0.180 8 0 "[ . 1 . 2]"
1 36 LYS 12.281 0.399 14 0 "[ . 1 . 2]"
1 37 HIS 15.149 0.399 14 0 "[ . 1 . 2]"
1 38 GLU 4.227 0.291 5 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 VAL HA 1 1 VAL HB 2.700 2.300 3.200 2.626 2.457 2.986 . 0 0 "[ . 1 . 2]" 1
2 1 1 VAL HA 1 2 MET H 2.400 . 2.900 2.401 2.183 2.567 . 0 0 "[ . 1 . 2]" 1
3 1 1 VAL HB 1 2 MET H 2.600 2.100 3.100 2.639 2.093 3.106 0.007 8 0 "[ . 1 . 2]" 1
4 1 2 MET H 1 2 MET HA 2.900 2.400 3.400 2.813 2.750 2.854 . 0 0 "[ . 1 . 2]" 1
5 1 2 MET H 1 2 MET HB2 2.600 2.100 3.100 2.065 2.052 2.082 0.048 14 0 "[ . 1 . 2]" 1
6 1 2 MET H 1 2 MET HB3 2.700 2.200 3.200 3.370 3.361 3.383 0.183 20 0 "[ . 1 . 2]" 1
7 1 2 MET H 1 2 MET QG 2.800 2.400 3.300 2.982 2.971 2.999 . 0 0 "[ . 1 . 2]" 1
8 1 2 MET HA 1 2 MET HB2 2.600 2.400 3.100 2.940 2.919 2.960 . 0 0 "[ . 1 . 2]" 1
9 1 2 MET HA 1 2 MET HB3 2.500 2.100 3.000 2.713 2.681 2.748 . 0 0 "[ . 1 . 2]" 1
10 1 2 MET HA 1 2 MET QG 2.800 2.400 3.300 2.324 2.155 2.653 0.245 15 0 "[ . 1 . 2]" 1
11 1 3 PRO HA 1 4 LYS H 2.900 2.400 3.400 3.170 2.899 3.457 0.057 13 0 "[ . 1 . 2]" 1
12 1 3 PRO HA 1 6 ILE H 3.400 2.900 3.900 3.559 3.172 3.968 0.068 13 0 "[ . 1 . 2]" 1
13 1 3 PRO HA 1 7 VAL H 3.800 3.300 4.300 4.283 4.116 4.387 0.087 10 0 "[ . 1 . 2]" 1
14 1 3 PRO QB 1 4 LYS H 2.800 2.300 3.300 2.389 1.887 3.054 0.413 3 0 "[ . 1 . 2]" 1
15 1 3 PRO HB3 1 4 LYS H 3.500 3.000 4.000 3.761 3.457 4.139 0.139 15 0 "[ . 1 . 2]" 1
16 1 3 PRO HG2 1 4 LYS H 2.400 . 2.900 2.972 2.911 3.035 0.135 6 0 "[ . 1 . 2]" 1
17 1 4 LYS H 1 4 LYS HA 2.400 . 2.900 2.560 2.257 2.930 0.030 5 0 "[ . 1 . 2]" 1
18 1 4 LYS H 1 4 LYS QB 2.800 2.300 3.300 2.697 2.199 3.014 0.101 10 0 "[ . 1 . 2]" 1
19 1 4 LYS H 1 5 GLN H 2.600 2.200 3.100 2.714 2.181 3.133 0.033 17 0 "[ . 1 . 2]" 1
20 1 4 LYS H 1 6 ILE H 3.300 2.900 3.800 3.694 3.478 3.920 0.120 10 0 "[ . 1 . 2]" 1
21 1 4 LYS HA 1 5 GLN H 3.100 2.600 3.600 3.467 3.408 3.507 . 0 0 "[ . 1 . 2]" 1
22 1 4 LYS HA 1 8 TYR H 3.000 2.500 3.500 3.619 3.588 3.653 0.153 4 0 "[ . 1 . 2]" 1
23 1 4 LYS QB 1 5 GLN H 2.800 2.300 3.300 2.943 2.854 3.021 . 0 0 "[ . 1 . 2]" 1
24 1 5 GLN H 1 5 GLN HA 2.600 2.100 3.100 2.894 2.869 2.915 . 0 0 "[ . 1 . 2]" 1
25 1 5 GLN H 1 5 GLN HB3 2.400 2.100 2.900 2.152 2.093 2.269 0.007 5 0 "[ . 1 . 2]" 1
26 1 5 GLN H 1 5 GLN HG3 2.800 2.400 3.300 3.396 3.304 3.448 0.148 13 0 "[ . 1 . 2]" 1
27 1 5 GLN H 1 6 ILE H 2.600 2.100 3.100 2.186 2.076 2.368 0.024 17 0 "[ . 1 . 2]" 1
28 1 5 GLN H 1 7 VAL H 3.200 2.800 3.700 3.442 3.221 3.618 . 0 0 "[ . 1 . 2]" 1
29 1 5 GLN HA 1 6 ILE H 2.800 2.300 3.300 3.435 3.411 3.468 0.168 13 0 "[ . 1 . 2]" 1
30 1 5 GLN HA 1 8 TYR H 2.800 2.300 3.300 3.398 3.370 3.446 0.146 10 0 "[ . 1 . 2]" 1
31 1 5 GLN HA 1 8 TYR QB 2.500 . 3.000 2.347 2.221 2.502 . 0 0 "[ . 1 . 2]" 1
32 1 5 GLN HA 1 9 TRP H 4.100 3.600 4.600 3.904 3.828 4.030 . 0 0 "[ . 1 . 2]" 1
33 1 5 GLN HB2 1 5 GLN HE21 2.800 2.500 3.300 2.448 2.392 3.060 0.108 15 0 "[ . 1 . 2]" 1
34 1 5 GLN HB2 1 5 GLN HE22 3.400 3.100 3.900 3.567 3.430 3.763 . 0 0 "[ . 1 . 2]" 1
35 1 5 GLN HB3 1 6 ILE H 2.800 2.500 3.300 3.386 3.347 3.445 0.145 14 0 "[ . 1 . 2]" 1
36 1 5 GLN HE21 1 5 GLN HG2 2.900 2.600 3.400 3.167 2.457 3.469 0.143 17 0 "[ . 1 . 2]" 1
37 1 5 GLN HE21 1 5 GLN HG3 2.800 2.300 3.300 3.035 2.355 3.490 0.190 10 0 "[ . 1 . 2]" 1
38 1 5 GLN HE22 1 5 GLN HG2 3.300 2.800 3.800 3.840 3.531 3.975 0.175 8 0 "[ . 1 . 2]" 1
39 1 5 GLN HE22 1 5 GLN HG3 3.300 2.800 3.800 3.793 3.481 3.985 0.185 10 0 "[ . 1 . 2]" 1
40 1 5 GLN HG3 1 6 ILE H 3.300 2.800 3.800 2.767 2.747 2.783 0.053 14 0 "[ . 1 . 2]" 1
41 1 6 ILE H 1 6 ILE HA 2.500 . 3.000 2.876 2.866 2.889 . 0 0 "[ . 1 . 2]" 1
42 1 6 ILE H 1 6 ILE HB 3.000 2.500 3.400 3.551 3.535 3.580 0.180 10 0 "[ . 1 . 2]" 1
43 1 6 ILE H 1 6 ILE MD 3.000 2.600 3.500 2.154 2.139 2.314 0.461 13 0 "[ . 1 . 2]" 1
44 1 6 ILE H 1 6 ILE HG12 2.900 2.400 3.400 3.464 3.451 3.488 0.088 10 0 "[ . 1 . 2]" 1
45 1 6 ILE H 1 6 ILE HG13 2.600 2.100 3.000 1.968 1.942 1.977 0.158 10 0 "[ . 1 . 2]" 1
46 1 6 ILE H 1 6 ILE MG 3.000 2.500 3.500 2.938 2.930 2.947 . 0 0 "[ . 1 . 2]" 1
47 1 6 ILE H 1 7 VAL H 2.600 2.100 3.100 2.166 2.116 2.206 . 0 0 "[ . 1 . 2]" 1
48 1 6 ILE H 1 8 TYR H 3.500 3.100 4.000 3.638 3.590 3.668 . 0 0 "[ . 1 . 2]" 1
49 1 6 ILE H 1 9 TRP H 3.700 3.400 4.200 4.322 4.284 4.367 0.167 12 0 "[ . 1 . 2]" 1
50 1 6 ILE HA 1 7 VAL H 3.000 2.500 3.500 3.449 3.441 3.457 . 0 0 "[ . 1 . 2]" 1
51 1 6 ILE HA 1 9 TRP H 3.100 2.600 3.600 3.188 3.130 3.263 . 0 0 "[ . 1 . 2]" 1
52 1 6 ILE HA 1 9 TRP QB 2.600 2.200 3.100 2.051 1.972 2.173 0.228 15 0 "[ . 1 . 2]" 1
53 1 6 ILE HA 1 10 LYS H 4.100 3.600 4.600 3.435 3.422 3.462 0.178 11 0 "[ . 1 . 2]" 1
54 1 6 ILE MD 1 10 LYS H 4.800 4.300 5.300 4.472 4.441 4.493 . 0 0 "[ . 1 . 2]" 1
55 1 6 ILE HG12 1 7 VAL H 3.700 3.300 4.200 4.207 4.191 4.216 0.016 19 0 "[ . 1 . 2]" 1
56 1 6 ILE HG13 1 7 VAL H 3.100 2.800 3.600 3.383 3.259 3.404 . 0 0 "[ . 1 . 2]" 1
57 1 6 ILE MG 1 10 LYS H 5.000 4.700 5.500 4.667 4.654 4.683 0.046 16 0 "[ . 1 . 2]" 1
58 1 7 VAL H 1 7 VAL HA 2.600 2.100 3.100 2.858 2.854 2.862 . 0 0 "[ . 1 . 2]" 1
59 1 7 VAL H 1 7 VAL HB 2.500 . 3.000 2.294 2.265 2.329 . 0 0 "[ . 1 . 2]" 1
60 1 7 VAL H 1 8 TYR H 2.700 2.200 3.200 2.249 2.226 2.278 . 0 0 "[ . 1 . 2]" 1
61 1 7 VAL H 1 9 TRP H 3.100 2.600 3.600 3.663 3.655 3.687 0.087 10 0 "[ . 1 . 2]" 1
62 1 7 VAL HA 1 8 TYR H 3.100 2.600 3.600 3.468 3.462 3.476 . 0 0 "[ . 1 . 2]" 1
63 1 7 VAL HA 1 10 LYS H 3.500 3.000 4.000 3.429 3.351 3.464 . 0 0 "[ . 1 . 2]" 1
64 1 7 VAL HA 1 10 LYS HB2 2.800 2.300 3.300 3.314 3.299 3.345 0.045 1 0 "[ . 1 . 2]" 1
65 1 7 VAL HA 1 10 LYS HB3 2.200 . 2.700 1.915 1.828 1.978 . 0 0 "[ . 1 . 2]" 1
66 1 7 VAL HB 1 8 TYR H 3.400 2.900 3.900 3.479 3.436 3.527 . 0 0 "[ . 1 . 2]" 1
67 1 7 VAL QG 1 11 GLN H 5.000 4.600 5.500 3.522 3.505 3.535 1.095 1 20 [+**-****************] 1
68 1 8 TYR H 1 8 TYR HA 2.600 2.100 3.100 2.822 2.811 2.830 . 0 0 "[ . 1 . 2]" 1
69 1 8 TYR H 1 9 TRP H 2.700 2.200 3.200 2.509 2.488 2.544 . 0 0 "[ . 1 . 2]" 1
70 1 8 TYR H 1 10 LYS H 3.600 3.100 4.100 4.095 4.043 4.114 0.014 15 0 "[ . 1 . 2]" 1
71 1 8 TYR H 1 11 GLN H 3.600 3.100 4.100 4.244 4.228 4.274 0.174 1 0 "[ . 1 . 2]" 1
72 1 8 TYR HA 1 8 TYR QD 2.600 2.300 3.100 2.024 2.016 2.032 0.284 7 0 "[ . 1 . 2]" 1
73 1 8 TYR HA 1 8 TYR QE 3.800 3.300 4.200 3.904 3.899 3.908 . 0 0 "[ . 1 . 2]" 1
74 1 8 TYR HA 1 9 TRP H 3.000 2.500 3.500 3.521 3.515 3.526 0.026 8 0 "[ . 1 . 2]" 1
75 1 8 TYR HA 1 11 GLN H 4.200 3.700 4.700 3.642 3.627 3.657 0.073 1 0 "[ . 1 . 2]" 1
76 1 8 TYR HA 1 12 TRP H 4.200 3.700 4.700 4.744 4.713 4.770 0.070 12 0 "[ . 1 . 2]" 1
77 1 8 TYR QB 1 8 TYR QD 2.200 . 2.700 2.183 2.178 2.190 . 0 0 "[ . 1 . 2]" 1
78 1 8 TYR QB 1 8 TYR QE 4.300 3.900 4.800 3.903 3.901 3.905 . 0 0 "[ . 1 . 2]" 1
79 1 8 TYR QB 1 9 TRP H 3.000 2.500 3.500 2.420 2.357 2.500 0.143 15 0 "[ . 1 . 2]" 1
80 1 8 TYR QB 1 10 LYS H 4.600 4.100 5.100 4.633 4.620 4.642 . 0 0 "[ . 1 . 2]" 1
81 1 9 TRP H 1 9 TRP HA 3.100 2.600 3.600 2.823 2.806 2.844 . 0 0 "[ . 1 . 2]" 1
82 1 9 TRP H 1 9 TRP QB 2.300 . 2.800 2.039 2.009 2.068 . 0 0 "[ . 1 . 2]" 1
83 1 9 TRP H 1 9 TRP HD1 3.100 2.800 3.600 3.458 3.395 3.498 . 0 0 "[ . 1 . 2]" 1
84 1 9 TRP H 1 9 TRP HE3 4.400 3.900 4.900 4.995 4.923 5.059 0.159 11 0 "[ . 1 . 2]" 1
85 1 9 TRP H 1 10 LYS H 2.700 2.300 3.200 2.628 2.562 2.690 . 0 0 "[ . 1 . 2]" 1
86 1 9 TRP H 1 11 GLN H 3.500 3.100 4.000 3.954 3.874 4.013 0.013 1 0 "[ . 1 . 2]" 1
87 1 9 TRP HA 1 9 TRP HD1 3.700 3.300 4.200 4.047 3.924 4.147 . 0 0 "[ . 1 . 2]" 1
88 1 9 TRP HA 1 9 TRP HE3 2.700 2.300 3.200 2.665 2.517 2.822 . 0 0 "[ . 1 . 2]" 1
89 1 9 TRP HA 1 10 LYS H 3.700 3.200 4.200 3.425 3.413 3.431 . 0 0 "[ . 1 . 2]" 1
90 1 9 TRP HA 1 12 TRP H 3.400 2.900 3.900 3.763 3.721 3.825 . 0 0 "[ . 1 . 2]" 1
91 1 9 TRP HA 1 12 TRP HB2 2.800 2.600 3.300 3.312 3.240 3.331 0.031 3 0 "[ . 1 . 2]" 1
92 1 9 TRP HA 1 12 TRP HB3 2.300 . 2.800 2.750 2.670 2.816 0.016 16 0 "[ . 1 . 2]" 1
93 1 9 TRP HA 1 13 LEU H 3.800 3.300 4.300 4.172 4.054 4.279 . 0 0 "[ . 1 . 2]" 1
94 1 9 TRP QB 1 9 TRP HD1 2.500 2.200 3.000 2.458 2.450 2.471 . 0 0 "[ . 1 . 2]" 1
95 1 9 TRP QB 1 9 TRP HE1 4.300 3.900 4.800 4.335 4.331 4.337 . 0 0 "[ . 1 . 2]" 1
96 1 9 TRP QB 1 9 TRP HE3 2.600 2.100 3.100 2.560 2.506 2.589 . 0 0 "[ . 1 . 2]" 1
97 1 9 TRP QB 1 9 TRP HZ3 4.700 4.200 5.200 4.757 4.726 4.774 . 0 0 "[ . 1 . 2]" 1
98 1 9 TRP QB 1 10 LYS H 2.700 2.200 3.200 2.051 2.036 2.077 0.164 17 0 "[ . 1 . 2]" 1
99 1 9 TRP HD1 1 10 LYS H 4.100 3.600 4.600 4.757 4.732 4.785 0.185 11 0 "[ . 1 . 2]" 1
100 1 9 TRP HE3 1 10 LYS H 3.800 3.300 4.300 4.398 4.380 4.437 0.137 16 0 "[ . 1 . 2]" 1
101 1 9 TRP HE3 1 12 TRP H 4.500 4.000 5.000 4.764 4.707 4.850 . 0 0 "[ . 1 . 2]" 1
102 1 10 LYS H 1 10 LYS HA 2.500 . 3.000 2.738 2.732 2.745 . 0 0 "[ . 1 . 2]" 1
103 1 10 LYS H 1 10 LYS HB2 2.600 2.200 3.100 2.616 2.541 2.917 . 0 0 "[ . 1 . 2]" 1
104 1 10 LYS H 1 10 LYS HB3 2.400 . 2.900 2.366 2.154 2.418 . 0 0 "[ . 1 . 2]" 1
105 1 10 LYS H 1 10 LYS QD 4.200 3.700 4.700 4.195 4.153 4.234 . 0 0 "[ . 1 . 2]" 1
106 1 10 LYS H 1 10 LYS QG 3.800 3.300 4.300 3.944 3.831 3.965 . 0 0 "[ . 1 . 2]" 1
107 1 10 LYS H 1 11 GLN H 2.500 2.200 3.000 2.947 2.927 3.006 0.006 1 0 "[ . 1 . 2]" 1
108 1 10 LYS HA 1 11 GLN H 3.000 2.500 3.500 3.564 3.553 3.575 0.075 4 0 "[ . 1 . 2]" 1
109 1 10 LYS HA 1 13 LEU H 2.900 2.400 3.400 3.344 3.226 3.438 0.038 8 0 "[ . 1 . 2]" 1
110 1 10 LYS HA 1 14 SER H 3.200 2.700 3.700 3.741 3.719 3.766 0.066 11 0 "[ . 1 . 2]" 1
111 1 10 LYS HB2 1 11 GLN H 3.600 3.100 4.100 3.887 3.823 3.944 . 0 0 "[ . 1 . 2]" 1
112 1 10 LYS HB3 1 11 GLN H 2.200 . 2.700 2.503 2.402 2.700 . 1 0 "[ . 1 . 2]" 1
113 1 10 LYS QD 1 11 GLN H 3.100 2.600 3.600 3.224 3.186 3.300 . 0 0 "[ . 1 . 2]" 1
114 1 10 LYS QG 1 11 GLN H 3.300 2.800 3.800 3.331 2.562 3.424 0.238 1 0 "[ . 1 . 2]" 1
115 1 11 GLN H 1 11 GLN HA 2.600 2.100 3.100 2.867 2.853 2.880 . 0 0 "[ . 1 . 2]" 1
116 1 11 GLN H 1 11 GLN HB2 3.000 2.500 3.500 3.606 3.599 3.613 0.113 15 0 "[ . 1 . 2]" 1
117 1 11 GLN H 1 11 GLN HB3 3.000 2.500 3.500 2.469 2.450 2.477 0.050 15 0 "[ . 1 . 2]" 1
118 1 11 GLN H 1 11 GLN HG2 2.300 . 2.800 2.420 2.321 2.686 . 0 0 "[ . 1 . 2]" 1
119 1 11 GLN H 1 11 GLN HG3 2.900 2.400 3.400 3.428 3.286 3.451 0.051 12 0 "[ . 1 . 2]" 1
120 1 11 GLN H 1 12 TRP H 2.600 2.100 3.100 2.634 2.604 2.670 . 0 0 "[ . 1 . 2]" 1
121 1 11 GLN H 1 13 LEU H 3.800 3.300 4.300 4.339 4.326 4.358 0.058 20 0 "[ . 1 . 2]" 1
122 1 11 GLN H 1 14 SER H 4.300 3.800 4.800 4.733 4.708 4.756 . 0 0 "[ . 1 . 2]" 1
123 1 11 GLN HA 1 12 TRP H 2.600 2.100 3.100 3.165 3.136 3.182 0.082 12 0 "[ . 1 . 2]" 1
124 1 11 GLN HA 1 14 SER HB2 2.700 2.200 3.200 3.260 3.227 3.285 0.085 11 0 "[ . 1 . 2]" 1
125 1 11 GLN HA 1 15 LEU H 2.900 2.400 3.400 3.542 3.514 3.572 0.172 4 0 "[ . 1 . 2]" 1
126 1 11 GLN HE21 1 11 GLN HG2 3.500 3.500 4.000 3.402 3.395 3.421 0.105 5 0 "[ . 1 . 2]" 1
127 1 11 GLN HE21 1 11 GLN HG3 3.400 3.300 3.900 3.262 3.248 3.269 0.052 15 0 "[ . 1 . 2]" 1
128 1 11 GLN HE22 1 11 GLN HG2 3.600 3.100 4.100 4.010 4.007 4.017 . 0 0 "[ . 1 . 2]" 1
129 1 11 GLN HE22 1 11 GLN HG3 3.600 3.300 4.100 3.942 3.934 3.946 . 0 0 "[ . 1 . 2]" 1
130 1 11 GLN HG2 1 12 TRP H 3.600 3.100 4.100 3.639 3.470 4.006 . 0 0 "[ . 1 . 2]" 1
131 1 11 GLN HG3 1 12 TRP H 3.800 3.300 4.300 3.503 3.323 3.574 . 0 0 "[ . 1 . 2]" 1
132 1 12 TRP H 1 12 TRP HA 2.500 . 3.000 2.947 2.941 2.954 . 0 0 "[ . 1 . 2]" 1
133 1 12 TRP H 1 12 TRP HB2 2.500 . 3.000 2.761 2.736 2.797 . 0 0 "[ . 1 . 2]" 1
134 1 12 TRP H 1 12 TRP HB3 2.500 . 3.000 2.707 2.661 2.728 . 0 0 "[ . 1 . 2]" 1
135 1 12 TRP H 1 12 TRP HE3 3.700 3.300 4.200 4.327 4.293 4.351 0.151 15 0 "[ . 1 . 2]" 1
136 1 12 TRP H 1 13 LEU H 2.700 2.200 3.200 2.074 2.057 2.090 0.143 15 0 "[ . 1 . 2]" 1
137 1 12 TRP H 1 14 SER H 2.800 2.600 3.300 3.070 3.026 3.113 . 0 0 "[ . 1 . 2]" 1
138 1 12 TRP HA 1 12 TRP HD1 3.000 2.600 3.500 3.431 3.421 3.441 . 0 0 "[ . 1 . 2]" 1
139 1 12 TRP HA 1 12 TRP HE1 4.300 3.800 4.800 4.922 4.909 4.952 0.152 9 0 "[ . 1 . 2]" 1
140 1 12 TRP HA 1 12 TRP HE3 3.200 2.700 3.700 3.788 3.756 3.841 0.141 9 0 "[ . 1 . 2]" 1
141 1 12 TRP HA 1 13 LEU H 3.200 2.700 3.700 3.561 3.550 3.574 . 0 0 "[ . 1 . 2]" 1
142 1 12 TRP HA 1 15 LEU H 3.500 3.000 4.000 4.080 4.066 4.108 0.108 11 0 "[ . 1 . 2]" 1
143 1 12 TRP HA 1 15 LEU HB2 3.200 2.700 3.700 3.842 3.823 3.878 0.178 2 0 "[ . 1 . 2]" 1
144 1 12 TRP HA 1 16 ARG H 2.900 2.400 3.400 3.445 3.415 3.482 0.082 9 0 "[ . 1 . 2]" 1
145 1 12 TRP HB2 1 12 TRP HD1 2.800 2.500 3.300 2.526 2.520 2.529 . 0 0 "[ . 1 . 2]" 1
146 1 12 TRP HB2 1 12 TRP HE3 3.300 2.800 3.800 3.929 3.926 3.933 0.133 8 0 "[ . 1 . 2]" 1
147 1 12 TRP HB2 1 13 LEU H 3.200 2.700 3.700 3.825 3.814 3.836 0.136 20 0 "[ . 1 . 2]" 1
148 1 12 TRP HB3 1 12 TRP HD1 3.000 2.500 3.500 3.643 3.641 3.645 0.145 14 0 "[ . 1 . 2]" 1
149 1 12 TRP HB3 1 12 TRP HE3 2.700 2.400 3.200 2.493 2.487 2.503 . 0 0 "[ . 1 . 2]" 1
150 1 12 TRP HB3 1 13 LEU H 2.700 2.200 3.200 2.751 2.705 2.785 . 0 0 "[ . 1 . 2]" 1
151 1 12 TRP HE3 1 13 LEU H 3.400 3.000 3.900 3.092 3.007 3.172 . 0 0 "[ . 1 . 2]" 1
152 1 13 LEU H 1 13 LEU HA 2.700 2.200 3.200 2.925 2.920 2.932 . 0 0 "[ . 1 . 2]" 1
153 1 13 LEU H 1 13 LEU QB 2.300 2.200 2.800 2.388 2.316 2.498 . 0 0 "[ . 1 . 2]" 1
154 1 13 LEU H 1 14 SER H 2.700 2.200 3.200 2.202 2.190 2.229 0.010 20 0 "[ . 1 . 2]" 1
155 1 13 LEU H 1 14 SER HA 4.200 3.700 4.700 4.764 4.753 4.774 0.074 18 0 "[ . 1 . 2]" 1
156 1 13 LEU H 1 15 LEU H 3.600 3.100 4.100 4.110 4.088 4.124 0.024 4 0 "[ . 1 . 2]" 1
157 1 13 LEU HA 1 14 SER H 2.800 2.300 3.300 3.355 3.325 3.376 0.076 10 0 "[ . 1 . 2]" 1
158 1 13 LEU HA 1 16 ARG H 3.500 3.000 4.000 4.058 4.046 4.074 0.074 13 0 "[ . 1 . 2]" 1
159 1 13 LEU HA 1 16 ARG HB2 3.400 2.900 3.900 2.873 2.820 3.083 0.080 10 0 "[ . 1 . 2]" 1
160 1 13 LEU HA 1 16 ARG HB3 3.500 3.000 4.000 4.085 4.065 4.111 0.111 2 0 "[ . 1 . 2]" 1
161 1 13 LEU HA 1 17 ASN H 2.900 2.400 3.400 3.423 3.331 3.457 0.057 20 0 "[ . 1 . 2]" 1
162 1 13 LEU HG 1 14 SER H 4.100 3.600 4.600 4.583 4.380 4.687 0.087 8 0 "[ . 1 . 2]" 1
163 1 14 SER H 1 14 SER HA 2.500 . 3.000 2.889 2.875 2.904 . 0 0 "[ . 1 . 2]" 1
164 1 14 SER H 1 14 SER HB2 2.700 2.200 3.200 2.308 2.268 2.349 . 0 0 "[ . 1 . 2]" 1
165 1 14 SER H 1 14 SER HB3 2.500 . 3.000 3.039 3.019 3.056 0.056 11 0 "[ . 1 . 2]" 1
166 1 14 SER H 1 15 LEU H 2.600 2.100 3.100 2.323 2.231 2.382 . 0 0 "[ . 1 . 2]" 1
167 1 14 SER H 1 16 ARG H 3.500 3.000 4.000 3.951 3.882 4.012 0.012 18 0 "[ . 1 . 2]" 1
168 1 14 SER HA 1 15 LEU H 2.900 2.400 3.400 3.508 3.498 3.515 0.115 8 0 "[ . 1 . 2]" 1
169 1 14 SER HA 1 17 ASN H 4.000 3.500 4.500 4.174 4.147 4.207 . 0 0 "[ . 1 . 2]" 1
170 1 14 SER HA 1 17 ASN HB2 3.400 3.000 3.900 3.023 2.984 3.067 0.016 15 0 "[ . 1 . 2]" 1
171 1 14 SER HA 1 17 ASN HB3 3.500 3.000 4.000 4.155 4.132 4.175 0.175 6 0 "[ . 1 . 2]" 1
172 1 14 SER HB2 1 15 LEU H 2.800 2.300 3.300 3.325 3.303 3.351 0.051 16 0 "[ . 1 . 2]" 1
173 1 15 LEU H 1 15 LEU HA 2.300 . 2.800 2.859 2.851 2.865 0.065 2 0 "[ . 1 . 2]" 1
174 1 15 LEU H 1 15 LEU HB2 2.500 . 3.000 2.491 2.480 2.510 . 0 0 "[ . 1 . 2]" 1
175 1 15 LEU H 1 15 LEU HB3 2.900 2.500 3.400 3.557 3.554 3.562 0.162 8 0 "[ . 1 . 2]" 1
176 1 15 LEU H 1 15 LEU MD1 2.600 2.100 3.100 2.643 2.635 2.656 . 0 0 "[ . 1 . 2]" 1
177 1 15 LEU H 1 15 LEU MD2 2.400 . 2.900 1.678 1.656 1.697 0.244 10 0 "[ . 1 . 2]" 1
178 1 15 LEU H 1 15 LEU HG 3.300 2.800 3.800 3.819 3.811 3.828 0.028 16 0 "[ . 1 . 2]" 1
179 1 15 LEU H 1 16 ARG H 2.800 2.300 3.300 2.561 2.538 2.585 . 0 0 "[ . 1 . 2]" 1
180 1 15 LEU HA 1 16 ARG H 2.900 2.400 3.400 3.535 3.530 3.540 0.140 9 0 "[ . 1 . 2]" 1
181 1 15 LEU HA 1 19 ILE H 3.700 3.200 4.200 4.262 4.205 4.296 0.096 2 0 "[ . 1 . 2]" 1
182 1 15 LEU HB2 1 16 ARG H 2.700 2.200 3.200 2.129 2.102 2.146 0.098 2 0 "[ . 1 . 2]" 1
183 1 15 LEU MD2 1 16 ARG H 3.000 2.600 3.500 3.030 3.024 3.036 . 0 0 "[ . 1 . 2]" 1
184 1 16 ARG H 1 16 ARG HA 2.300 . 2.700 2.741 2.729 2.749 0.049 9 0 "[ . 1 . 2]" 1
185 1 16 ARG H 1 16 ARG HB2 2.400 2.100 2.900 2.350 2.223 2.391 . 0 0 "[ . 1 . 2]" 1
186 1 16 ARG H 1 16 ARG HD3 3.100 3.100 3.600 3.624 3.607 3.648 0.048 9 0 "[ . 1 . 2]" 1
187 1 16 ARG H 1 16 ARG QG 2.600 2.100 3.100 2.581 2.526 2.789 . 0 0 "[ . 1 . 2]" 1
188 1 16 ARG H 1 17 ASN H 2.400 2.200 2.900 2.771 2.756 2.789 . 0 0 "[ . 1 . 2]" 1
189 1 16 ARG HA 1 17 ASN H 2.800 2.300 3.300 3.413 3.387 3.429 0.129 13 0 "[ . 1 . 2]" 1
190 1 16 ARG HA 1 19 ILE H 3.300 2.800 3.800 3.762 3.653 3.841 0.041 20 0 "[ . 1 . 2]" 1
191 1 16 ARG HA 1 19 ILE HB 2.800 2.300 3.300 2.250 2.192 2.293 0.108 10 0 "[ . 1 . 2]" 1
192 1 16 ARG HA 1 20 LEU H 3.600 3.100 4.100 4.135 3.976 4.194 0.094 18 0 "[ . 1 . 2]" 1
193 1 16 ARG HB2 1 17 ASN H 2.800 2.300 3.300 2.973 2.904 3.153 . 0 0 "[ . 1 . 2]" 1
194 1 16 ARG HB3 1 17 ASN H 3.100 2.600 3.600 3.607 3.545 3.634 0.034 9 0 "[ . 1 . 2]" 1
195 1 16 ARG QG 1 17 ASN H 4.400 3.900 4.900 4.398 4.373 4.447 . 0 0 "[ . 1 . 2]" 1
196 1 17 ASN H 1 17 ASN HA 3.000 2.500 3.500 2.777 2.759 2.806 . 0 0 "[ . 1 . 2]" 1
197 1 17 ASN H 1 17 ASN HB2 2.500 2.100 3.000 1.993 1.983 2.001 0.117 18 0 "[ . 1 . 2]" 1
198 1 17 ASN H 1 17 ASN HB3 2.600 2.200 3.100 3.276 3.269 3.283 0.183 13 0 "[ . 1 . 2]" 1
199 1 17 ASN H 1 19 ILE H 3.500 3.200 4.000 3.645 3.580 3.693 . 0 0 "[ . 1 . 2]" 1
200 1 17 ASN HA 1 19 ILE H 3.500 3.200 4.000 4.015 3.965 4.041 0.041 7 0 "[ . 1 . 2]" 1
201 1 17 ASN HA 1 20 LEU H 3.600 3.100 4.100 3.648 3.491 3.748 . 0 0 "[ . 1 . 2]" 1
202 1 17 ASN HB2 1 17 ASN HD21 2.500 2.100 3.000 2.564 2.530 2.599 . 0 0 "[ . 1 . 2]" 1
203 1 17 ASN HB2 1 17 ASN HD22 3.000 2.700 3.500 3.596 3.583 3.612 0.112 2 0 "[ . 1 . 2]" 1
204 1 17 ASN HB2 1 19 ILE H 3.800 3.300 4.300 4.430 4.409 4.453 0.153 2 0 "[ . 1 . 2]" 1
205 1 17 ASN HB3 1 17 ASN HD21 2.500 2.100 3.000 2.457 2.430 2.490 . 0 0 "[ . 1 . 2]" 1
206 1 17 ASN HB3 1 17 ASN HD22 3.000 2.600 3.500 3.547 3.539 3.561 0.061 10 0 "[ . 1 . 2]" 1
207 1 17 ASN HB3 1 19 ILE H 3.800 3.300 4.300 4.315 4.255 4.348 0.048 18 0 "[ . 1 . 2]" 1
208 1 18 PRO HA 1 18 PRO HB2 2.300 . 2.800 2.767 2.757 2.784 . 0 0 "[ . 1 . 2]" 1
209 1 18 PRO HA 1 18 PRO HB3 2.200 . 2.700 2.252 2.250 2.256 . 0 0 "[ . 1 . 2]" 1
210 1 18 PRO HA 1 18 PRO HD2 3.300 2.900 3.800 3.944 3.936 3.951 0.151 15 0 "[ . 1 . 2]" 1
211 1 18 PRO HA 1 18 PRO HD3 2.600 2.100 3.100 3.175 3.156 3.187 0.087 15 0 "[ . 1 . 2]" 1
212 1 18 PRO HA 1 18 PRO QG 3.200 2.800 3.700 3.418 3.416 3.420 . 0 0 "[ . 1 . 2]" 1
213 1 18 PRO HA 1 19 ILE H 2.800 2.300 3.300 3.399 3.386 3.415 0.115 14 0 "[ . 1 . 2]" 1
214 1 18 PRO HA 1 21 VAL H 2.800 2.300 3.300 3.415 3.364 3.457 0.157 16 0 "[ . 1 . 2]" 1
215 1 18 PRO HA 1 21 VAL HB 2.900 2.400 3.400 2.340 2.252 2.401 0.148 16 0 "[ . 1 . 2]" 1
216 1 18 PRO HA 1 22 PHE H 3.700 3.200 4.200 3.862 3.692 4.067 . 0 0 "[ . 1 . 2]" 1
217 1 18 PRO HB3 1 19 ILE H 3.700 3.200 4.200 4.257 4.223 4.285 0.085 3 0 "[ . 1 . 2]" 1
218 1 19 ILE H 1 19 ILE HA 2.400 . 2.900 2.867 2.851 2.883 . 0 0 "[ . 1 . 2]" 1
219 1 19 ILE H 1 19 ILE HB 2.200 . 2.700 2.471 2.397 2.570 . 0 0 "[ . 1 . 2]" 1
220 1 19 ILE H 1 19 ILE HG12 2.800 2.400 3.300 3.378 3.348 3.408 0.108 20 0 "[ . 1 . 2]" 1
221 1 19 ILE H 1 19 ILE HG13 2.100 . 2.600 2.403 2.230 2.620 0.020 3 0 "[ . 1 . 2]" 1
222 1 19 ILE H 1 20 LEU H 1.900 . 2.400 2.492 2.456 2.539 0.139 9 0 "[ . 1 . 2]" 1
223 1 19 ILE HA 1 20 LEU H 2.800 2.300 3.300 3.458 3.442 3.476 0.176 15 0 "[ . 1 . 2]" 1
224 1 19 ILE HA 1 22 PHE HB2 2.800 2.400 3.300 3.401 3.351 3.439 0.139 4 0 "[ . 1 . 2]" 1
225 1 19 ILE HA 1 22 PHE HB3 2.500 2.100 3.000 2.010 1.984 2.059 0.116 13 0 "[ . 1 . 2]" 1
226 1 19 ILE HA 1 23 LEU H 3.700 3.200 4.200 4.188 4.037 4.277 0.077 9 0 "[ . 1 . 2]" 1
227 1 19 ILE HB 1 20 LEU H 2.400 . 2.900 2.841 2.640 2.956 0.056 20 0 "[ . 1 . 2]" 1
228 1 20 LEU H 1 20 LEU HA 2.600 2.100 3.100 2.856 2.807 2.888 . 0 0 "[ . 1 . 2]" 1
229 1 20 LEU H 1 20 LEU QB 2.400 . 2.900 2.511 2.472 2.549 . 0 0 "[ . 1 . 2]" 1
230 1 20 LEU H 1 20 LEU MD2 2.200 2.100 2.700 2.326 2.260 2.370 . 0 0 "[ . 1 . 2]" 1
231 1 20 LEU H 1 20 LEU HG 2.200 . 2.700 2.727 2.713 2.741 0.041 11 0 "[ . 1 . 2]" 1
232 1 20 LEU H 1 21 VAL H 2.600 2.300 3.100 2.342 2.260 2.469 0.040 7 0 "[ . 1 . 2]" 1
233 1 20 LEU H 1 21 VAL HB 3.400 3.100 3.900 3.950 3.906 4.010 0.110 6 0 "[ . 1 . 2]" 1
234 1 20 LEU H 1 22 PHE H 3.200 2.800 3.700 3.803 3.763 3.842 0.142 13 0 "[ . 1 . 2]" 1
235 1 20 LEU H 1 23 LEU H 3.800 3.300 4.300 4.405 4.336 4.460 0.160 9 0 "[ . 1 . 2]" 1
236 1 20 LEU HA 1 21 VAL H 2.900 2.400 3.400 3.465 3.449 3.483 0.083 14 0 "[ . 1 . 2]" 1
237 1 20 LEU HA 1 23 LEU H 2.900 2.400 3.400 3.207 3.090 3.283 . 0 0 "[ . 1 . 2]" 1
238 1 20 LEU HA 1 23 LEU QB 2.600 2.100 3.000 2.470 2.181 2.792 . 0 0 "[ . 1 . 2]" 1
239 1 20 LEU HA 1 24 LYS H 3.900 3.400 4.400 4.155 4.007 4.416 0.016 18 0 "[ . 1 . 2]" 1
240 1 20 LEU QB 1 21 VAL H 3.200 2.700 3.700 2.948 2.380 3.394 0.320 10 0 "[ . 1 . 2]" 1
241 1 21 VAL H 1 21 VAL HA 2.700 2.200 3.200 2.767 2.747 2.803 . 0 0 "[ . 1 . 2]" 1
242 1 21 VAL H 1 21 VAL HB 2.400 . 2.900 2.085 2.054 2.117 . 0 0 "[ . 1 . 2]" 1
243 1 21 VAL H 1 21 VAL MG1 3.600 3.200 4.100 3.524 3.512 3.535 . 0 0 "[ . 1 . 2]" 1
244 1 21 VAL H 1 21 VAL MG2 2.200 . 2.700 2.364 2.351 2.384 . 0 0 "[ . 1 . 2]" 1
245 1 21 VAL H 1 22 PHE H 2.300 . 2.800 2.593 2.494 2.645 . 0 0 "[ . 1 . 2]" 1
246 1 21 VAL H 1 23 LEU H 3.100 2.700 3.600 3.673 3.637 3.710 0.110 14 0 "[ . 1 . 2]" 1
247 1 21 VAL HA 1 22 PHE H 2.900 2.400 3.400 3.504 3.492 3.516 0.116 16 0 "[ . 1 . 2]" 1
248 1 21 VAL HA 1 23 LEU H 3.400 3.300 3.900 3.936 3.861 3.969 0.069 10 0 "[ . 1 . 2]" 1
249 1 21 VAL HA 1 24 LYS H 3.000 2.500 3.500 3.146 3.111 3.186 . 0 0 "[ . 1 . 2]" 1
250 1 21 VAL HA 1 24 LYS HB2 2.600 2.100 3.100 2.060 1.986 3.202 0.114 4 0 "[ . 1 . 2]" 1
251 1 21 VAL HA 1 24 LYS HB3 2.400 . 2.900 2.996 1.892 3.071 0.171 19 0 "[ . 1 . 2]" 1
252 1 21 VAL HA 1 25 THR H 4.500 4.000 5.000 3.899 3.864 3.967 0.136 16 0 "[ . 1 . 2]" 1
253 1 21 VAL HB 1 22 PHE H 2.500 . 3.000 2.160 2.119 2.207 . 0 0 "[ . 1 . 2]" 1
254 1 21 VAL HB 1 23 LEU H 3.800 3.300 4.300 4.364 4.352 4.388 0.088 14 0 "[ . 1 . 2]" 1
255 1 21 VAL MG1 1 23 LEU H 4.200 3.700 4.700 4.043 4.031 4.070 . 0 0 "[ . 1 . 2]" 1
256 1 21 VAL MG1 1 24 LYS H 4.300 3.800 4.800 4.058 3.882 4.097 . 0 0 "[ . 1 . 2]" 1
257 1 22 PHE H 1 22 PHE HA 2.500 . 3.000 2.766 2.747 2.786 . 0 0 "[ . 1 . 2]" 1
258 1 22 PHE H 1 22 PHE HB2 2.400 . 2.900 2.936 2.909 2.965 0.065 13 0 "[ . 1 . 2]" 1
259 1 22 PHE H 1 22 PHE HB3 2.300 . 2.800 1.954 1.937 1.968 . 0 0 "[ . 1 . 2]" 1
260 1 22 PHE H 1 22 PHE QD 3.400 2.900 3.900 3.601 3.587 3.618 . 0 0 "[ . 1 . 2]" 1
261 1 22 PHE H 1 23 LEU H 2.600 2.300 3.100 2.590 2.528 2.669 . 0 0 "[ . 1 . 2]" 1
262 1 22 PHE H 1 24 LYS H 3.500 3.200 4.000 3.889 3.815 3.975 . 0 0 "[ . 1 . 2]" 1
263 1 22 PHE HA 1 22 PHE QD 2.500 2.100 3.000 2.778 2.763 2.799 . 0 0 "[ . 1 . 2]" 1
264 1 22 PHE HA 1 22 PHE QE 4.900 4.400 5.400 4.897 4.886 4.906 . 0 0 "[ . 1 . 2]" 1
265 1 22 PHE HA 1 23 LEU H 3.000 2.500 3.500 3.452 3.428 3.493 . 0 0 "[ . 1 . 2]" 1
266 1 22 PHE HA 1 25 THR H 3.100 2.600 3.600 3.561 3.364 3.668 0.068 18 0 "[ . 1 . 2]" 1
267 1 22 PHE HA 1 26 ARG H 3.600 3.100 4.100 3.938 3.620 4.118 0.018 4 0 "[ . 1 . 2]" 1
268 1 22 PHE HB2 1 22 PHE QD 2.400 . 2.900 2.504 2.472 2.529 . 0 0 "[ . 1 . 2]" 1
269 1 22 PHE HB2 1 22 PHE QE 4.300 3.800 4.800 4.374 4.371 4.377 . 0 0 "[ . 1 . 2]" 1
270 1 22 PHE HB2 1 23 LEU H 3.700 3.200 4.200 4.170 4.140 4.246 0.046 18 0 "[ . 1 . 2]" 1
271 1 22 PHE HB3 1 22 PHE QD 2.300 . 2.800 2.138 2.105 2.165 . 0 0 "[ . 1 . 2]" 1
272 1 22 PHE HB3 1 22 PHE QE 4.200 3.700 4.700 4.260 4.243 4.273 . 0 0 "[ . 1 . 2]" 1
273 1 22 PHE HB3 1 23 LEU H 2.700 2.200 3.200 3.036 2.993 3.133 . 0 0 "[ . 1 . 2]" 1
274 1 22 PHE QD 1 23 LEU H 3.200 2.700 3.700 3.328 3.302 3.360 . 0 0 "[ . 1 . 2]" 1
275 1 22 PHE HZ 1 23 LEU H 5.500 5.000 6.000 6.147 6.093 6.192 0.192 20 0 "[ . 1 . 2]" 1
276 1 23 LEU H 1 23 LEU HA 2.500 . 3.000 2.948 2.924 2.969 . 0 0 "[ . 1 . 2]" 1
277 1 23 LEU H 1 23 LEU QB 2.200 . 2.700 2.337 2.255 2.432 . 0 0 "[ . 1 . 2]" 1
278 1 23 LEU H 1 23 LEU QD 2.500 . 3.000 2.168 2.027 2.329 . 0 0 "[ . 1 . 2]" 1
279 1 23 LEU H 1 23 LEU HG 3.200 2.700 3.700 3.609 3.344 3.829 0.129 18 0 "[ . 1 . 2]" 1
280 1 23 LEU H 1 24 LYS H 2.600 2.200 3.100 2.187 2.114 2.243 0.086 14 0 "[ . 1 . 2]" 1
281 1 23 LEU H 1 25 THR H 3.300 3.000 3.800 3.846 3.805 3.871 0.071 20 0 "[ . 1 . 2]" 1
282 1 23 LEU H 1 26 ARG H 4.000 3.500 4.500 4.553 4.501 4.645 0.145 18 0 "[ . 1 . 2]" 1
283 1 23 LEU HA 1 24 LYS H 2.900 2.400 3.400 3.392 3.341 3.427 0.027 16 0 "[ . 1 . 2]" 1
284 1 23 LEU HA 1 26 ARG H 3.300 2.800 3.800 3.411 3.215 3.683 . 0 0 "[ . 1 . 2]" 1
285 1 23 LEU HA 1 26 ARG QB 3.100 2.600 3.600 2.483 2.327 2.701 0.273 15 0 "[ . 1 . 2]" 1
286 1 23 LEU HA 1 27 VAL H 3.400 2.900 3.900 3.942 3.844 3.980 0.080 19 0 "[ . 1 . 2]" 1
287 1 23 LEU QD 1 24 LYS H 4.200 3.700 4.700 3.508 2.726 3.621 0.974 14 2 "[ . 1 +. - 2]" 1
288 1 24 LYS H 1 24 LYS HA 2.300 . 2.800 2.806 2.788 2.827 0.027 18 0 "[ . 1 . 2]" 1
289 1 24 LYS H 1 24 LYS HB2 2.500 . 3.000 1.991 1.925 3.101 0.101 18 0 "[ . 1 . 2]" 1
290 1 24 LYS H 1 24 LYS HB3 2.600 2.100 3.100 3.118 1.920 3.193 0.180 18 0 "[ . 1 . 2]" 1
291 1 24 LYS H 1 24 LYS QD 2.600 2.100 3.100 2.817 2.805 2.840 . 0 0 "[ . 1 . 2]" 1
292 1 24 LYS H 1 24 LYS QG 3.400 2.900 3.900 3.584 3.569 3.632 . 0 0 "[ . 1 . 2]" 1
293 1 24 LYS H 1 25 THR H 2.500 2.100 3.000 2.492 2.171 2.564 . 0 0 "[ . 1 . 2]" 1
294 1 24 LYS H 1 25 THR HG1 3.500 3.100 4.000 3.266 3.188 3.285 . 0 0 "[ . 1 . 2]" 1
295 1 24 LYS H 1 26 ARG H 3.300 3.100 3.800 3.923 3.781 3.954 0.154 16 0 "[ . 1 . 2]" 1
296 1 24 LYS HA 1 25 THR H 2.900 2.400 3.400 3.471 3.453 3.484 0.084 18 0 "[ . 1 . 2]" 1
297 1 24 LYS HA 1 27 VAL HB 2.300 . 2.800 2.629 2.284 2.820 0.020 18 0 "[ . 1 . 2]" 1
298 1 24 LYS HB3 1 25 THR H 2.300 . 2.800 2.850 2.821 2.895 0.095 12 0 "[ . 1 . 2]" 1
299 1 25 THR H 1 25 THR HA 2.200 . 2.700 2.815 2.801 2.830 0.130 20 0 "[ . 1 . 2]" 1
300 1 25 THR H 1 25 THR HB 2.400 . 2.900 2.749 2.640 3.080 0.180 12 0 "[ . 1 . 2]" 1
301 1 25 THR H 1 25 THR HG1 2.500 2.100 3.000 1.676 1.602 1.889 0.498 12 0 "[ . 1 . 2]" 1
302 1 25 THR H 1 26 ARG H 2.500 2.300 3.000 2.565 2.519 2.637 . 0 0 "[ . 1 . 2]" 1
303 1 25 THR HA 1 28 LEU HB2 2.700 2.200 3.200 3.320 3.300 3.352 0.152 12 0 "[ . 1 . 2]" 1
304 1 25 THR HA 1 28 LEU HB3 2.000 . 2.500 1.951 1.921 1.995 . 0 0 "[ . 1 . 2]" 1
305 1 25 THR HB 1 26 ARG H 3.400 2.900 3.900 3.887 2.831 3.959 0.069 12 0 "[ . 1 . 2]" 1
306 1 25 THR HG1 1 26 ARG H 2.900 2.500 3.400 2.052 1.980 2.733 0.520 18 6 "[ - . * 1 * .* + *]" 1
307 1 26 ARG H 1 26 ARG HA 2.300 . 2.800 2.805 2.777 2.824 0.024 16 0 "[ . 1 . 2]" 1
308 1 26 ARG H 1 26 ARG QB 2.000 . 2.500 2.282 2.273 2.307 . 0 0 "[ . 1 . 2]" 1
309 1 26 ARG H 1 26 ARG QD 3.000 2.600 3.500 3.169 3.156 3.198 . 0 0 "[ . 1 . 2]" 1
310 1 26 ARG H 1 26 ARG HG2 2.700 2.200 3.200 2.498 2.433 2.540 . 0 0 "[ . 1 . 2]" 1
311 1 26 ARG H 1 26 ARG HG3 3.300 2.800 3.800 3.869 3.830 3.894 0.094 12 0 "[ . 1 . 2]" 1
312 1 26 ARG H 1 27 VAL H 2.600 2.400 3.100 2.594 2.521 2.682 . 0 0 "[ . 1 . 2]" 1
313 1 26 ARG H 1 28 LEU H 3.400 3.200 3.900 3.714 3.648 3.796 . 0 0 "[ . 1 . 2]" 1
314 1 26 ARG HA 1 27 VAL H 3.000 2.500 3.500 3.476 3.468 3.481 . 0 0 "[ . 1 . 2]" 1
315 1 26 ARG HA 1 29 LYS H 3.100 2.600 3.600 3.577 3.500 3.633 0.033 17 0 "[ . 1 . 2]" 1
316 1 26 ARG HA 1 30 ARG H 3.700 3.200 4.200 4.178 4.041 4.297 0.097 16 0 "[ . 1 . 2]" 1
317 1 26 ARG QB 1 27 VAL H 2.200 . 2.700 2.480 2.458 2.508 . 0 0 "[ . 1 . 2]" 1
318 1 27 VAL H 1 27 VAL HA 2.400 . 2.900 2.850 2.843 2.858 . 0 0 "[ . 1 . 2]" 1
319 1 27 VAL H 1 27 VAL HB 2.300 . 2.800 2.036 2.024 2.052 . 0 0 "[ . 1 . 2]" 1
320 1 27 VAL H 1 27 VAL MG1 3.500 3.100 4.000 3.459 3.453 3.468 . 0 0 "[ . 1 . 2]" 1
321 1 27 VAL H 1 27 VAL MG2 2.800 2.400 3.300 2.774 2.768 2.783 . 0 0 "[ . 1 . 2]" 1
322 1 27 VAL H 1 28 LEU H 2.200 . 2.700 2.386 2.347 2.424 . 0 0 "[ . 1 . 2]" 1
323 1 27 VAL H 1 29 LYS H 3.500 3.100 4.000 4.128 4.094 4.149 0.149 7 0 "[ . 1 . 2]" 1
324 1 27 VAL HA 1 28 LEU H 2.900 2.400 3.400 3.417 3.413 3.425 0.025 17 0 "[ . 1 . 2]" 1
325 1 27 VAL HA 1 30 ARG H 3.400 2.900 3.900 3.411 3.237 3.518 . 0 0 "[ . 1 . 2]" 1
326 1 27 VAL HA 1 30 ARG HB2 2.800 2.300 3.300 2.589 2.101 3.485 0.199 1 0 "[ . 1 . 2]" 1
327 1 27 VAL HA 1 30 ARG HB3 2.700 2.300 3.200 2.934 2.214 3.320 0.120 17 0 "[ . 1 . 2]" 1
328 1 27 VAL HB 1 28 LEU H 2.500 . 3.000 3.124 3.116 3.138 0.138 9 0 "[ . 1 . 2]" 1
329 1 28 LEU H 1 28 LEU HA 2.400 . 2.900 2.836 2.829 2.846 . 0 0 "[ . 1 . 2]" 1
330 1 28 LEU H 1 28 LEU HB2 2.800 2.300 3.300 3.387 3.378 3.394 0.094 16 0 "[ . 1 . 2]" 1
331 1 28 LEU H 1 28 LEU HB3 2.100 . 2.600 2.101 2.088 2.113 . 0 0 "[ . 1 . 2]" 1
332 1 28 LEU H 1 28 LEU HG 2.400 . 2.900 2.982 2.967 2.998 0.098 17 0 "[ . 1 . 2]" 1
333 1 28 LEU H 1 29 LYS H 2.500 2.100 3.000 2.310 2.280 2.336 . 0 0 "[ . 1 . 2]" 1
334 1 28 LEU H 1 30 ARG H 2.600 2.100 3.100 3.251 3.208 3.280 0.180 19 0 "[ . 1 . 2]" 1
335 1 28 LEU H 1 31 TRP H 3.400 3.000 3.900 4.047 4.029 4.070 0.170 9 0 "[ . 1 . 2]" 1
336 1 28 LEU HA 1 29 LYS H 2.800 2.300 3.300 3.465 3.457 3.475 0.175 17 0 "[ . 1 . 2]" 1
337 1 28 LEU HA 1 31 TRP H 2.600 2.100 3.100 3.105 3.070 3.117 0.017 20 0 "[ . 1 . 2]" 1
338 1 28 LEU HA 1 31 TRP HB2 2.600 2.100 3.100 2.018 1.995 2.044 0.105 6 0 "[ . 1 . 2]" 1
339 1 28 LEU HA 1 31 TRP HB3 2.500 . 3.000 3.014 3.004 3.025 0.025 20 0 "[ . 1 . 2]" 1
340 1 28 LEU HA 1 32 ARG H 3.900 3.400 4.400 3.937 3.827 4.033 . 0 0 "[ . 1 . 2]" 1
341 1 28 LEU HB2 1 29 LYS H 3.400 2.900 3.900 3.833 3.817 3.858 . 0 0 "[ . 1 . 2]" 1
342 1 28 LEU HB3 1 29 LYS H 2.800 2.300 3.300 3.145 3.118 3.173 . 0 0 "[ . 1 . 2]" 1
343 1 28 LEU QD 1 29 LYS H 2.900 2.400 3.400 2.545 2.542 2.547 . 0 0 "[ . 1 . 2]" 1
344 1 28 LEU HG 1 29 LYS H 2.400 . 2.900 1.913 1.887 1.985 0.013 15 0 "[ . 1 . 2]" 1
345 1 29 LYS H 1 29 LYS HA 2.300 . 2.800 2.823 2.819 2.830 0.030 6 0 "[ . 1 . 2]" 1
346 1 29 LYS H 1 29 LYS HB3 2.000 . 2.500 2.493 2.412 2.521 0.021 14 0 "[ . 1 . 2]" 1
347 1 29 LYS H 1 29 LYS QG 2.700 2.500 3.200 2.338 2.210 2.491 0.290 20 0 "[ . 1 . 2]" 1
348 1 29 LYS H 1 30 ARG H 2.400 . 2.900 2.387 2.357 2.418 . 0 0 "[ . 1 . 2]" 1
349 1 29 LYS H 1 32 ARG H 3.700 3.200 4.200 4.276 4.256 4.295 0.095 1 0 "[ . 1 . 2]" 1
350 1 29 LYS HA 1 30 ARG H 2.700 2.200 3.200 3.366 3.353 3.376 0.176 13 0 "[ . 1 . 2]" 1
351 1 29 LYS HA 1 32 ARG H 3.200 2.700 3.700 2.902 2.798 3.018 . 0 0 "[ . 1 . 2]" 1
352 1 29 LYS HA 1 33 LEU H 3.600 3.100 4.100 3.713 3.581 3.848 . 0 0 "[ . 1 . 2]" 1
353 1 29 LYS QG 1 30 ARG H 3.400 2.900 3.900 2.555 2.517 2.634 0.383 14 0 "[ . 1 . 2]" 1
354 1 30 ARG H 1 30 ARG HA 2.200 . 2.700 2.861 2.850 2.877 0.177 16 0 "[ . 1 . 2]" 1
355 1 30 ARG H 1 30 ARG QB 2.000 . 2.500 2.125 2.059 2.236 . 0 0 "[ . 1 . 2]" 1
356 1 30 ARG H 1 30 ARG HG2 2.600 2.100 3.100 3.205 3.149 3.226 0.126 17 0 "[ . 1 . 2]" 1
357 1 30 ARG H 1 30 ARG HG3 2.700 2.200 3.200 3.333 3.256 3.365 0.165 18 0 "[ . 1 . 2]" 1
358 1 30 ARG H 1 31 TRP H 2.200 . 2.700 2.127 2.047 2.187 . 0 0 "[ . 1 . 2]" 1
359 1 30 ARG H 1 31 TRP HD1 4.500 4.000 5.000 5.078 5.050 5.098 0.098 13 0 "[ . 1 . 2]" 1
360 1 30 ARG H 1 32 ARG H 2.900 2.900 3.400 3.544 3.493 3.576 0.176 7 0 "[ . 1 . 2]" 1
361 1 30 ARG HA 1 31 TRP H 2.800 2.300 3.300 3.429 3.411 3.443 0.143 17 0 "[ . 1 . 2]" 1
362 1 30 ARG HA 1 33 LEU H 3.200 2.700 3.700 3.278 3.227 3.341 . 0 0 "[ . 1 . 2]" 1
363 1 30 ARG HA 1 33 LEU HB2 2.500 . 3.000 1.979 1.964 1.994 0.036 19 0 "[ . 1 . 2]" 1
364 1 30 ARG HA 1 33 LEU HB3 2.600 2.100 3.100 3.214 3.202 3.221 0.121 19 0 "[ . 1 . 2]" 1
365 1 30 ARG HA 1 34 PHE H 4.300 3.800 4.800 3.683 3.645 3.718 0.155 4 0 "[ . 1 . 2]" 1
366 1 30 ARG HB2 1 31 TRP H 3.400 2.900 3.900 3.253 2.825 4.044 0.144 16 0 "[ . 1 . 2]" 1
367 1 30 ARG HB3 1 31 TRP H 2.900 2.400 3.400 3.460 3.388 3.506 0.106 4 0 "[ . 1 . 2]" 1
368 1 31 TRP H 1 31 TRP HA 2.400 . 2.900 2.794 2.781 2.808 . 0 0 "[ . 1 . 2]" 1
369 1 31 TRP H 1 31 TRP HB2 2.200 . 2.700 1.911 1.896 1.922 . 0 0 "[ . 1 . 2]" 1
370 1 31 TRP H 1 31 TRP HB3 2.400 . 2.900 3.024 3.015 3.035 0.135 17 0 "[ . 1 . 2]" 1
371 1 31 TRP H 1 31 TRP HD1 3.000 2.600 3.500 3.605 3.589 3.614 0.114 6 0 "[ . 1 . 2]" 1
372 1 31 TRP H 1 31 TRP HE3 4.300 3.800 4.800 4.954 4.947 4.962 0.162 17 0 "[ . 1 . 2]" 1
373 1 31 TRP H 1 32 ARG H 2.800 2.300 3.300 2.383 2.294 2.477 0.006 3 0 "[ . 1 . 2]" 1
374 1 31 TRP H 1 35 SER H 4.800 4.300 5.300 5.431 5.398 5.459 0.159 4 0 "[ . 1 . 2]" 1
375 1 31 TRP HA 1 31 TRP HD1 2.800 2.400 3.300 3.396 3.390 3.404 0.104 15 0 "[ . 1 . 2]" 1
376 1 31 TRP HA 1 31 TRP HE1 4.100 3.600 4.600 4.705 4.699 4.710 0.110 20 0 "[ . 1 . 2]" 1
377 1 31 TRP HA 1 31 TRP HE3 2.800 2.300 3.300 3.323 3.316 3.327 0.027 12 0 "[ . 1 . 2]" 1
378 1 31 TRP HA 1 32 ARG H 3.100 2.600 3.600 3.565 3.543 3.585 . 0 0 "[ . 1 . 2]" 1
379 1 31 TRP HA 1 34 PHE HB2 2.700 2.200 3.200 2.083 2.053 2.112 0.147 4 0 "[ . 1 . 2]" 1
380 1 31 TRP HA 1 34 PHE HB3 2.600 2.100 3.100 3.154 3.140 3.171 0.071 3 0 "[ . 1 . 2]" 1
381 1 31 TRP HB2 1 31 TRP HD1 2.700 2.200 3.200 2.506 2.499 2.517 . 0 0 "[ . 1 . 2]" 1
382 1 31 TRP HB2 1 31 TRP HE3 3.200 2.800 3.700 3.841 3.831 3.845 0.145 11 0 "[ . 1 . 2]" 1
383 1 31 TRP HB2 1 32 ARG H 3.200 2.700 3.700 3.057 3.010 3.096 . 0 0 "[ . 1 . 2]" 1
384 1 31 TRP HB3 1 31 TRP HD1 3.000 2.500 3.500 3.635 3.631 3.640 0.140 17 0 "[ . 1 . 2]" 1
385 1 31 TRP HB3 1 31 TRP HE1 4.500 4.100 5.000 5.102 5.100 5.104 0.104 7 0 "[ . 1 . 2]" 1
386 1 31 TRP HB3 1 31 TRP HE3 2.700 2.300 3.200 2.343 2.324 2.355 . 0 0 "[ . 1 . 2]" 1
387 1 31 TRP HB3 1 32 ARG H 2.800 2.300 3.300 2.830 2.769 2.880 . 0 0 "[ . 1 . 2]" 1
388 1 31 TRP HH2 1 31 TRP HZ3 2.000 . 2.500 2.462 2.461 2.464 . 0 0 "[ . 1 . 2]" 1
389 1 32 ARG H 1 32 ARG HA 2.700 2.200 3.200 2.809 2.796 2.823 . 0 0 "[ . 1 . 2]" 1
390 1 32 ARG H 1 32 ARG QB 1.900 . 2.400 2.241 2.232 2.250 . 0 0 "[ . 1 . 2]" 1
391 1 32 ARG H 1 32 ARG QD 3.300 2.900 3.800 3.518 3.504 3.532 . 0 0 "[ . 1 . 2]" 1
392 1 32 ARG H 1 32 ARG HG2 2.700 2.200 3.200 2.823 2.018 3.369 0.182 20 0 "[ . 1 . 2]" 1
393 1 32 ARG H 1 32 ARG HG3 2.600 2.100 3.100 2.540 2.082 3.225 0.125 20 0 "[ . 1 . 2]" 1
394 1 32 ARG H 1 33 LEU H 2.200 . 2.700 2.515 2.483 2.573 . 0 0 "[ . 1 . 2]" 1
395 1 32 ARG H 1 34 PHE H 3.500 3.200 4.000 3.712 3.684 3.739 . 0 0 "[ . 1 . 2]" 1
396 1 32 ARG HA 1 33 LEU H 2.900 2.400 3.400 3.459 3.453 3.471 0.071 4 0 "[ . 1 . 2]" 1
397 1 32 ARG HA 1 35 SER HB2 3.200 2.800 3.700 2.783 2.752 2.859 0.048 18 0 "[ . 1 . 2]" 1
398 1 32 ARG HA 1 35 SER HB3 3.800 3.300 4.300 3.227 3.212 3.239 0.088 18 0 "[ . 1 . 2]" 1
399 1 32 ARG HA 1 36 LYS H 3.700 3.300 4.200 4.064 3.853 4.223 0.023 3 0 "[ . 1 . 2]" 1
400 1 32 ARG QB 1 33 LEU H 2.400 . 2.900 2.075 2.001 2.115 . 0 0 "[ . 1 . 2]" 1
401 1 32 ARG HB2 1 34 PHE H 3.800 3.300 4.300 4.398 4.367 4.413 0.113 1 0 "[ . 1 . 2]" 1
402 1 33 LEU H 1 33 LEU HA 2.300 . 2.800 2.760 2.735 2.772 . 0 0 "[ . 1 . 2]" 1
403 1 33 LEU H 1 33 LEU HB2 2.400 . 2.900 1.955 1.940 1.973 . 0 0 "[ . 1 . 2]" 1
404 1 33 LEU H 1 33 LEU HB3 2.600 2.200 3.100 3.274 3.268 3.284 0.184 3 0 "[ . 1 . 2]" 1
405 1 33 LEU H 1 33 LEU MD2 2.600 2.500 3.100 2.082 2.058 2.123 0.442 6 0 "[ . 1 . 2]" 1
406 1 33 LEU H 1 33 LEU HG 2.400 . 2.900 3.022 3.004 3.036 0.136 15 0 "[ . 1 . 2]" 1
407 1 33 LEU H 1 34 PHE H 2.200 . 2.700 2.458 2.421 2.531 . 0 0 "[ . 1 . 2]" 1
408 1 33 LEU H 1 35 SER H 3.500 3.100 4.000 3.530 3.511 3.564 . 0 0 "[ . 1 . 2]" 1
409 1 33 LEU H 1 36 LYS H 3.700 3.200 4.200 4.252 4.239 4.269 0.069 17 0 "[ . 1 . 2]" 1
410 1 33 LEU HA 1 34 PHE H 2.800 2.300 3.300 3.419 3.416 3.421 0.121 13 0 "[ . 1 . 2]" 1
411 1 33 LEU HA 1 37 HIS H 3.700 3.200 4.200 3.869 3.309 4.202 0.002 19 0 "[ . 1 . 2]" 1
412 1 33 LEU HB2 1 34 PHE H 3.000 2.500 3.500 2.429 2.398 2.462 0.102 17 0 "[ . 1 . 2]" 1
413 1 33 LEU HB2 1 35 SER H 4.400 3.900 4.900 4.332 4.318 4.343 . 0 0 "[ . 1 . 2]" 1
414 1 33 LEU HB3 1 34 PHE H 2.800 2.300 3.300 3.112 3.085 3.151 . 0 0 "[ . 1 . 2]" 1
415 1 33 LEU HB3 1 35 SER H 4.100 3.600 4.600 4.759 4.720 4.780 0.180 8 0 "[ . 1 . 2]" 1
416 1 33 LEU MD2 1 34 PHE H 4.100 3.600 4.600 3.932 3.925 3.946 . 0 0 "[ . 1 . 2]" 1
417 1 33 LEU HG 1 35 SER H 5.500 5.000 6.000 6.149 6.136 6.161 0.161 17 0 "[ . 1 . 2]" 1
418 1 34 PHE H 1 34 PHE HA 2.400 . 2.900 2.856 2.837 2.868 . 0 0 "[ . 1 . 2]" 1
419 1 34 PHE H 1 34 PHE HB3 2.800 2.300 3.300 3.367 3.361 3.372 0.072 4 0 "[ . 1 . 2]" 1
420 1 34 PHE H 1 34 PHE QD 2.900 2.500 3.400 2.771 2.736 2.798 . 0 0 "[ . 1 . 2]" 1
421 1 34 PHE H 1 35 SER H 2.400 2.300 2.900 2.215 2.201 2.236 0.099 19 0 "[ . 1 . 2]" 1
422 1 34 PHE H 1 36 LYS H 3.400 3.200 3.900 3.759 3.663 3.824 . 0 0 "[ . 1 . 2]" 1
423 1 34 PHE HA 1 34 PHE HB2 2.200 . 2.700 2.877 2.874 2.881 0.181 20 0 "[ . 1 . 2]" 1
424 1 34 PHE HA 1 34 PHE HB3 2.200 . 2.700 2.723 2.718 2.726 0.026 14 0 "[ . 1 . 2]" 1
425 1 34 PHE HA 1 34 PHE QD 2.600 2.100 3.100 2.088 2.068 2.103 0.032 3 0 "[ . 1 . 2]" 1
426 1 34 PHE HA 1 34 PHE QE 3.800 3.300 4.300 3.966 3.955 3.972 . 0 0 "[ . 1 . 2]" 1
427 1 34 PHE HA 1 35 SER H 2.700 2.200 3.200 3.313 3.302 3.325 0.125 18 0 "[ . 1 . 2]" 1
428 1 34 PHE HA 1 37 HIS H 3.600 3.100 4.100 3.734 3.574 3.921 . 0 0 "[ . 1 . 2]" 1
429 1 34 PHE HA 1 38 GLU H 3.700 3.200 4.200 4.104 3.434 4.221 0.021 11 0 "[ . 1 . 2]" 1
430 1 34 PHE HB2 1 34 PHE QD 2.600 2.300 3.100 2.671 2.665 2.676 . 0 0 "[ . 1 . 2]" 1
431 1 34 PHE HB2 1 34 PHE QE 4.400 3.900 4.900 4.419 4.417 4.421 . 0 0 "[ . 1 . 2]" 1
432 1 34 PHE HB2 1 35 SER H 3.000 2.500 3.500 3.161 3.114 3.216 . 0 0 "[ . 1 . 2]" 1
433 1 34 PHE HB3 1 34 PHE QD 2.600 2.100 3.100 2.312 2.308 2.316 . 0 0 "[ . 1 . 2]" 1
434 1 34 PHE HB3 1 34 PHE QE 4.200 3.700 4.700 4.338 4.336 4.340 . 0 0 "[ . 1 . 2]" 1
435 1 34 PHE HB3 1 35 SER H 3.000 2.500 3.500 3.533 3.502 3.566 0.066 17 0 "[ . 1 . 2]" 1
436 1 34 PHE QD 1 35 SER H 4.200 3.700 4.700 4.293 4.288 4.302 . 0 0 "[ . 1 . 2]" 1
437 1 35 SER H 1 35 SER HA 2.500 . 3.000 2.966 2.961 2.973 . 0 0 "[ . 1 . 2]" 1
438 1 35 SER H 1 35 SER HB2 2.700 2.500 3.200 2.427 2.420 2.434 0.080 15 0 "[ . 1 . 2]" 1
439 1 35 SER H 1 35 SER HB3 2.700 2.300 3.200 3.237 3.213 3.272 0.072 16 0 "[ . 1 . 2]" 1
440 1 35 SER H 1 36 LYS H 2.500 2.100 3.000 2.211 2.160 2.265 . 0 0 "[ . 1 . 2]" 1
441 1 35 SER H 1 37 HIS H 3.400 3.100 3.900 3.675 3.549 3.871 . 0 0 "[ . 1 . 2]" 1
442 1 35 SER HA 1 36 LYS H 3.000 2.500 3.500 3.490 3.447 3.507 0.007 19 0 "[ . 1 . 2]" 1
443 1 35 SER HA 1 38 GLU H 3.300 2.800 3.800 3.728 3.526 3.822 0.022 7 0 "[ . 1 . 2]" 1
444 1 35 SER HB2 1 36 LYS H 3.200 2.700 3.700 3.589 3.489 3.698 . 0 0 "[ . 1 . 2]" 1
445 1 35 SER HB3 1 36 LYS H 3.100 2.600 3.600 3.204 3.097 3.372 . 0 0 "[ . 1 . 2]" 1
446 1 36 LYS H 1 36 LYS HA 2.400 . 2.900 2.887 2.858 2.911 0.011 7 0 "[ . 1 . 2]" 1
447 1 36 LYS H 1 36 LYS QB 2.400 . 2.900 2.389 2.177 2.663 . 0 0 "[ . 1 . 2]" 1
448 1 36 LYS H 1 36 LYS QE 3.800 3.300 4.300 3.715 3.482 3.872 . 0 0 "[ . 1 . 2]" 1
449 1 36 LYS H 1 36 LYS QG 3.100 2.600 3.600 2.595 2.258 3.152 0.342 6 0 "[ . 1 . 2]" 1
450 1 36 LYS H 1 37 HIS H 2.400 . 2.900 2.333 2.172 2.442 . 0 0 "[ . 1 . 2]" 1
451 1 36 LYS HA 1 37 HIS H 2.800 2.300 3.300 3.413 3.360 3.470 0.170 3 0 "[ . 1 . 2]" 1
452 1 36 LYS QB 1 37 HIS H 3.400 2.900 3.900 3.294 2.501 3.630 0.399 14 0 "[ . 1 . 2]" 1
453 1 36 LYS QG 1 37 HIS H 3.500 3.000 4.000 2.923 2.607 3.707 0.393 19 0 "[ . 1 . 2]" 1
454 1 37 HIS H 1 37 HIS HA 2.900 2.400 3.400 2.852 2.832 2.865 . 0 0 "[ . 1 . 2]" 1
455 1 37 HIS H 1 37 HIS HB2 2.600 2.100 3.100 2.369 2.081 3.218 0.118 19 0 "[ . 1 . 2]" 1
456 1 37 HIS H 1 37 HIS HB3 2.700 2.200 3.200 2.986 2.043 3.314 0.157 5 0 "[ . 1 . 2]" 1
457 1 37 HIS H 1 37 HIS HD2 . 3.200 3.600 3.642 3.572 3.727 0.127 13 0 "[ . 1 . 2]" 1
458 1 37 HIS H 1 38 GLU H 2.900 2.600 3.400 2.594 2.528 2.718 0.072 14 0 "[ . 1 . 2]" 1
459 1 37 HIS HA 1 38 GLU H 3.000 2.500 3.500 3.539 3.494 3.557 0.057 7 0 "[ . 1 . 2]" 1
460 1 37 HIS HB2 1 38 GLU H 3.100 2.600 3.600 3.188 2.867 3.774 0.174 1 0 "[ . 1 . 2]" 1
461 1 37 HIS HB3 1 38 GLU H 3.300 2.800 3.800 2.858 2.766 3.252 0.034 19 0 "[ . 1 . 2]" 1
462 1 38 GLU H 1 38 GLU HA 2.700 2.200 3.200 2.754 2.274 2.946 . 0 0 "[ . 1 . 2]" 1
463 1 38 GLU H 1 38 GLU HB3 2.900 2.600 3.400 3.232 2.736 3.461 0.061 3 0 "[ . 1 . 2]" 1
464 1 38 GLU H 1 38 GLU QG 3.100 2.600 3.600 2.921 2.309 3.224 0.291 5 0 "[ . 1 . 2]" 1
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