NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
391405 |
1pb5   |
5817 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1pb5
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 653
_Distance_constraint_stats_list.Viol_count 1284
_Distance_constraint_stats_list.Viol_total 1730.770
_Distance_constraint_stats_list.Viol_max 0.277
_Distance_constraint_stats_list.Viol_rms 0.0371
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0104
_Distance_constraint_stats_list.Viol_average_violations_only 0.0842
_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 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 2 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 3 ALA 4.455 0.140 5 0 "[ . 1 . ]"
1 4 CYS 5.666 0.140 5 0 "[ . 1 . ]"
1 5 GLU 4.082 0.179 15 0 "[ . 1 . ]"
1 6 LEU 6.582 0.238 7 0 "[ . 1 . ]"
1 7 PRO 2.413 0.179 15 0 "[ . 1 . ]"
1 8 GLU 4.601 0.238 7 0 "[ . 1 . ]"
1 9 CYS 3.459 0.106 5 0 "[ . 1 . ]"
1 10 GLN 0.236 0.019 6 0 "[ . 1 . ]"
1 11 GLU 2.833 0.188 13 0 "[ . 1 . ]"
1 12 ASP 8.348 0.276 7 0 "[ . 1 . ]"
1 13 ALA 0.002 0.002 4 0 "[ . 1 . ]"
1 14 GLY 1.830 0.108 2 0 "[ . 1 . ]"
1 15 ASN 7.487 0.180 4 0 "[ . 1 . ]"
1 16 LYS 7.054 0.146 15 0 "[ . 1 . ]"
1 17 VAL 3.675 0.121 10 0 "[ . 1 . ]"
1 18 CYS 8.631 0.206 4 0 "[ . 1 . ]"
1 19 SER 6.939 0.215 14 0 "[ . 1 . ]"
1 20 LEU 6.616 0.215 14 0 "[ . 1 . ]"
1 21 GLN 2.689 0.127 11 0 "[ . 1 . ]"
1 22 CYS 6.583 0.186 12 0 "[ . 1 . ]"
1 23 ASN 16.775 0.277 9 0 "[ . 1 . ]"
1 24 ASN 13.374 0.266 2 0 "[ . 1 . ]"
1 25 HIS 9.304 0.204 6 0 "[ . 1 . ]"
1 26 ALA 1.946 0.079 10 0 "[ . 1 . ]"
1 27 CYS 5.372 0.248 8 0 "[ . 1 . ]"
1 28 GLY 4.219 0.179 9 0 "[ . 1 . ]"
1 29 TRP 26.734 0.277 9 0 "[ . 1 . ]"
1 30 ASP 7.545 0.186 12 0 "[ . 1 . ]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 32 GLY 1.481 0.123 10 0 "[ . 1 . ]"
1 33 ASP 3.521 0.123 10 0 "[ . 1 . ]"
1 34 CYS 6.251 0.206 4 0 "[ . 1 . ]"
1 35 SER 1.576 0.101 16 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 GLU HA 1 2 GLU H 3.300 . 4.200 2.813 2.154 3.572 . 0 0 "[ . 1 . ]" 1
2 1 1 GLU QG 1 3 ALA H 4.500 . 6.000 4.651 2.544 5.847 . 0 0 "[ . 1 . ]" 1
3 1 2 GLU H 1 2 GLU QG 4.500 . 6.000 3.124 1.996 4.144 . 0 0 "[ . 1 . ]" 1
4 1 2 GLU HA 1 2 GLU QG 3.300 . 4.700 2.631 2.101 3.400 . 0 0 "[ . 1 . ]" 1
5 1 2 GLU HA 1 3 ALA H 2.500 . 3.000 2.424 2.204 2.738 . 0 0 "[ . 1 . ]" 1
6 1 2 GLU HA 1 3 ALA MB 3.800 . 5.300 4.321 4.131 4.495 . 0 0 "[ . 1 . ]" 1
7 1 2 GLU QB 1 3 ALA H 3.300 . 4.700 3.885 3.657 4.045 . 0 0 "[ . 1 . ]" 1
8 1 2 GLU QB 1 26 ALA HA 4.500 . 6.000 3.250 2.157 4.655 . 0 0 "[ . 1 . ]" 1
9 1 2 GLU QG 1 3 ALA H 3.800 . 5.300 4.332 3.871 4.764 . 0 0 "[ . 1 . ]" 1
10 1 3 ALA H 1 3 ALA MB 2.500 . 3.500 2.634 2.553 2.658 . 0 0 "[ . 1 . ]" 1
11 1 3 ALA H 1 4 CYS H 3.800 . 4.800 1.989 1.967 2.013 . 0 0 "[ . 1 . ]" 1
12 1 3 ALA H 1 4 CYS HB2 3.800 . 4.800 4.875 4.861 4.901 0.101 9 0 "[ . 1 . ]" 1
13 1 3 ALA H 1 4 CYS HB3 4.500 . 5.500 5.161 5.129 5.177 . 0 0 "[ . 1 . ]" 1
14 1 3 ALA H 1 26 ALA MB 3.800 . 5.300 2.597 2.407 2.810 . 0 0 "[ . 1 . ]" 1
15 1 3 ALA HA 1 4 CYS H 2.500 . 3.000 3.061 3.046 3.070 0.070 14 0 "[ . 1 . ]" 1
16 1 3 ALA HA 1 4 CYS HB2 3.800 . 4.800 4.146 4.122 4.185 . 0 0 "[ . 1 . ]" 1
17 1 3 ALA HA 1 4 CYS HB3 3.300 . 4.200 4.322 4.285 4.340 0.140 5 0 "[ . 1 . ]" 1
18 1 3 ALA MB 1 4 CYS H 2.500 . 3.500 3.518 3.511 3.531 0.031 8 0 "[ . 1 . ]" 1
19 1 3 ALA MB 1 4 CYS HB2 3.800 . 5.300 4.809 4.779 4.837 . 0 0 "[ . 1 . ]" 1
20 1 3 ALA MB 1 4 CYS HB3 3.800 . 5.300 4.329 4.264 4.361 . 0 0 "[ . 1 . ]" 1
21 1 3 ALA MB 1 5 GLU H 4.500 . 6.000 5.815 5.773 5.884 . 0 0 "[ . 1 . ]" 1
22 1 3 ALA MB 1 5 GLU HA 3.800 . 5.300 5.254 5.216 5.310 0.010 11 0 "[ . 1 . ]" 1
23 1 4 CYS H 1 4 CYS HB2 2.800 . 3.500 3.034 3.025 3.053 . 0 0 "[ . 1 . ]" 1
24 1 4 CYS H 1 4 CYS HB3 3.300 . 4.200 3.619 3.598 3.631 . 0 0 "[ . 1 . ]" 1
25 1 4 CYS H 1 5 GLU H 3.800 . 4.800 4.175 4.101 4.264 . 0 0 "[ . 1 . ]" 1
26 1 4 CYS H 1 26 ALA MB 3.800 . 5.300 1.936 1.883 1.989 . 0 0 "[ . 1 . ]" 1
27 1 4 CYS H 1 27 CYS HA 3.300 . 4.200 4.236 4.215 4.261 0.061 8 0 "[ . 1 . ]" 1
28 1 4 CYS HA 1 4 CYS HB2 2.500 . 3.000 2.517 2.505 2.526 . 0 0 "[ . 1 . ]" 1
29 1 4 CYS HA 1 4 CYS HB3 2.800 . 3.500 3.014 3.012 3.018 . 0 0 "[ . 1 . ]" 1
30 1 4 CYS HA 1 5 GLU H 2.500 . 3.700 2.157 2.134 2.198 . 0 0 "[ . 1 . ]" 1
31 1 4 CYS HA 1 26 ALA H 4.500 . 5.500 5.358 4.988 5.501 0.001 13 0 "[ . 1 . ]" 1
32 1 4 CYS HA 1 26 ALA MB 2.800 . 4.000 3.104 2.882 3.227 . 0 0 "[ . 1 . ]" 1
33 1 4 CYS HB2 1 5 GLU H 3.800 . 4.800 4.211 4.139 4.273 . 0 0 "[ . 1 . ]" 1
34 1 4 CYS HB2 1 6 LEU H 3.800 . 4.800 4.554 4.516 4.621 . 0 0 "[ . 1 . ]" 1
35 1 4 CYS HB2 1 26 ALA MB 2.800 . 4.000 3.693 3.639 3.772 . 0 0 "[ . 1 . ]" 1
36 1 4 CYS HB3 1 5 GLU H 3.800 . 4.800 3.952 3.878 4.019 . 0 0 "[ . 1 . ]" 1
37 1 4 CYS HB3 1 6 LEU H 3.800 . 4.800 3.779 3.678 3.872 . 0 0 "[ . 1 . ]" 1
38 1 4 CYS HB3 1 26 ALA MB 3.300 . 4.700 4.741 4.724 4.753 0.053 3 0 "[ . 1 . ]" 1
39 1 5 GLU H 1 5 GLU QB 2.800 . 4.000 2.953 2.881 3.051 . 0 0 "[ . 1 . ]" 1
40 1 5 GLU H 1 5 GLU QG 3.300 . 4.700 2.153 1.985 2.557 . 0 0 "[ . 1 . ]" 1
41 1 5 GLU H 1 6 LEU H 2.500 . 3.000 2.217 2.153 2.248 . 0 0 "[ . 1 . ]" 1
42 1 5 GLU H 1 6 LEU HA 4.500 . 5.500 4.665 4.621 4.720 . 0 0 "[ . 1 . ]" 1
43 1 5 GLU H 1 6 LEU HB2 4.500 . 5.500 3.736 3.659 3.872 . 0 0 "[ . 1 . ]" 1
44 1 5 GLU H 1 6 LEU HB3 3.300 . 4.800 4.532 3.852 4.815 0.015 6 0 "[ . 1 . ]" 1
45 1 5 GLU H 1 6 LEU QD 3.800 . 5.300 3.096 2.438 4.338 . 0 0 "[ . 1 . ]" 1
46 1 5 GLU H 1 7 PRO QD 3.800 . 5.300 5.449 5.405 5.479 0.179 15 0 "[ . 1 . ]" 1
47 1 5 GLU H 1 26 ALA MB 3.800 . 5.300 4.783 4.568 4.872 . 0 0 "[ . 1 . ]" 1
48 1 5 GLU HA 1 5 GLU QG 2.500 . 3.700 2.429 2.071 3.014 . 0 0 "[ . 1 . ]" 1
49 1 5 GLU HA 1 6 LEU H 2.500 . 3.000 3.090 3.073 3.129 0.129 6 0 "[ . 1 . ]" 1
50 1 5 GLU HA 1 6 LEU QD 4.500 . 6.000 4.292 3.693 5.033 . 0 0 "[ . 1 . ]" 1
51 1 5 GLU QB 1 6 LEU H 3.300 . 4.700 3.972 3.947 3.986 . 0 0 "[ . 1 . ]" 1
52 1 5 GLU QG 1 6 LEU H 3.800 . 5.300 3.323 3.196 3.420 . 0 0 "[ . 1 . ]" 1
53 1 5 GLU QG 1 6 LEU HB3 3.800 . 5.300 5.018 4.810 5.219 . 0 0 "[ . 1 . ]" 1
54 1 5 GLU QG 1 6 LEU HG 2.800 . 4.000 3.616 2.333 4.091 0.091 9 0 "[ . 1 . ]" 1
55 1 6 LEU H 1 6 LEU HA 2.800 . 3.500 2.942 2.930 2.946 . 0 0 "[ . 1 . ]" 1
56 1 6 LEU H 1 6 LEU HB2 2.500 . 3.000 2.487 2.401 2.591 . 0 0 "[ . 1 . ]" 1
57 1 6 LEU H 1 6 LEU HB3 2.800 . 4.000 3.375 3.160 3.561 . 0 0 "[ . 1 . ]" 1
58 1 6 LEU H 1 6 LEU QD 2.800 . 4.000 2.991 2.454 3.729 . 0 0 "[ . 1 . ]" 1
59 1 6 LEU H 1 7 PRO QD 3.300 . 4.700 3.799 3.656 3.915 . 0 0 "[ . 1 . ]" 1
60 1 6 LEU H 1 8 GLU H 4.500 . 5.500 4.939 4.890 4.958 . 0 0 "[ . 1 . ]" 1
61 1 6 LEU H 1 9 CYS H 3.800 . 4.800 4.878 4.857 4.906 0.106 5 0 "[ . 1 . ]" 1
62 1 6 LEU HA 1 6 LEU HB2 2.500 . 3.000 2.981 2.965 3.003 0.003 5 0 "[ . 1 . ]" 1
63 1 6 LEU HA 1 6 LEU QD 2.500 . 3.500 2.548 1.893 3.007 . 0 0 "[ . 1 . ]" 1
64 1 6 LEU HA 1 7 PRO QD 2.500 . 3.500 1.870 1.864 1.894 . 0 0 "[ . 1 . ]" 1
65 1 6 LEU HA 1 7 PRO QG 3.800 . 5.300 3.778 3.773 3.797 . 0 0 "[ . 1 . ]" 1
66 1 6 LEU HA 1 8 GLU H 2.500 . 3.000 3.223 3.171 3.238 0.238 7 0 "[ . 1 . ]" 1
67 1 6 LEU HA 1 9 CYS H 4.500 . 5.500 4.474 4.419 4.561 . 0 0 "[ . 1 . ]" 1
68 1 6 LEU HB2 1 6 LEU QD 2.500 . 3.500 2.101 1.988 2.220 . 0 0 "[ . 1 . ]" 1
69 1 6 LEU HB2 1 7 PRO QD 3.800 . 5.300 4.338 4.321 4.352 . 0 0 "[ . 1 . ]" 1
70 1 6 LEU HB2 1 8 GLU H 3.800 . 4.800 4.134 4.005 4.199 . 0 0 "[ . 1 . ]" 1
71 1 6 LEU HB2 1 9 CYS H 3.800 . 4.800 3.469 3.354 3.637 . 0 0 "[ . 1 . ]" 1
72 1 6 LEU HB3 1 8 GLU H 3.300 . 4.800 2.657 2.636 2.698 . 0 0 "[ . 1 . ]" 1
73 1 6 LEU HB3 1 9 CYS H 3.300 . 4.800 2.479 2.325 2.771 . 0 0 "[ . 1 . ]" 1
74 1 6 LEU HB3 1 8 GLU H 3.800 . 4.800 2.677 2.651 2.712 . 0 0 "[ . 1 . ]" 1
75 1 6 LEU HB3 1 8 GLU QB 3.300 . 4.700 3.832 2.749 4.086 . 0 0 "[ . 1 . ]" 1
76 1 6 LEU HB3 1 9 CYS H 2.800 . 3.500 2.486 2.330 2.787 . 0 0 "[ . 1 . ]" 1
77 1 6 LEU QD 1 7 PRO QD 3.300 . 4.700 3.364 2.619 3.793 . 0 0 "[ . 1 . ]" 1
78 1 6 LEU QD 1 8 GLU H 3.800 . 5.300 3.576 3.133 3.916 . 0 0 "[ . 1 . ]" 1
79 1 6 LEU QD 1 9 CYS H 3.800 . 5.300 3.705 3.456 4.379 . 0 0 "[ . 1 . ]" 1
80 1 6 LEU QD 1 9 CYS HB3 4.500 . 6.000 4.958 4.599 5.755 . 0 0 "[ . 1 . ]" 1
81 1 6 LEU QD 1 19 SER QB 4.500 . 6.000 4.531 4.108 5.629 . 0 0 "[ . 1 . ]" 1
82 1 6 LEU QD 1 21 GLN H 3.800 . 5.300 4.583 4.336 5.292 . 0 0 "[ . 1 . ]" 1
83 1 6 LEU QD 1 21 GLN HA 3.300 . 4.700 3.668 3.566 3.981 . 0 0 "[ . 1 . ]" 1
84 1 6 LEU QD 1 21 GLN HE21 3.800 . 5.300 2.362 1.816 4.377 . 0 0 "[ . 1 . ]" 1
85 1 6 LEU QD 1 21 GLN HE22 4.500 . 6.000 3.551 2.925 5.503 . 0 0 "[ . 1 . ]" 1
86 1 6 LEU QD 1 21 GLN QG 2.500 . 3.500 2.820 1.782 3.499 0.018 13 0 "[ . 1 . ]" 1
87 1 6 LEU QD 1 22 CYS H 3.800 . 5.300 4.315 3.984 4.949 . 0 0 "[ . 1 . ]" 1
88 1 6 LEU QD 1 24 ASN HD21 3.800 . 5.300 5.050 4.801 5.323 0.023 9 0 "[ . 1 . ]" 1
89 1 6 LEU QD 1 24 ASN HD22 3.800 . 5.300 3.816 3.540 4.093 . 0 0 "[ . 1 . ]" 1
90 1 6 LEU QD 1 27 CYS HB3 4.500 . 6.000 4.868 4.665 5.257 . 0 0 "[ . 1 . ]" 1
91 1 7 PRO HA 1 7 PRO QD 2.800 . 4.000 3.453 3.393 3.470 . 0 0 "[ . 1 . ]" 1
92 1 7 PRO HA 1 7 PRO QG 2.500 . 3.500 3.141 3.068 3.512 0.012 10 0 "[ . 1 . ]" 1
93 1 7 PRO HA 1 8 GLU H 3.300 . 4.200 3.390 3.372 3.398 . 0 0 "[ . 1 . ]" 1
94 1 7 PRO HA 1 9 CYS H 3.800 . 4.800 4.324 4.144 4.415 . 0 0 "[ . 1 . ]" 1
95 1 7 PRO HA 1 10 GLN H 3.800 . 4.800 3.822 3.671 4.044 . 0 0 "[ . 1 . ]" 1
96 1 7 PRO QB 1 7 PRO QD 3.300 . 4.700 2.788 2.780 2.805 . 0 0 "[ . 1 . ]" 1
97 1 7 PRO QB 1 8 GLU H 3.800 . 5.300 3.337 3.264 3.601 . 0 0 "[ . 1 . ]" 1
98 1 7 PRO QB 1 8 GLU HA 3.800 . 5.300 3.979 3.938 4.177 . 0 0 "[ . 1 . ]" 1
99 1 7 PRO QB 1 9 CYS H 3.800 . 5.300 5.146 5.038 5.301 0.001 10 0 "[ . 1 . ]" 1
100 1 7 PRO QD 1 8 GLU H 2.500 . 3.500 2.564 2.517 2.681 . 0 0 "[ . 1 . ]" 1
101 1 7 PRO QD 1 9 CYS H 3.800 . 5.300 4.604 4.568 4.664 . 0 0 "[ . 1 . ]" 1
102 1 8 GLU H 1 8 GLU HA 2.500 . 3.000 2.875 2.856 2.889 . 0 0 "[ . 1 . ]" 1
103 1 8 GLU H 1 8 GLU QB 2.500 . 3.500 2.632 2.053 2.783 . 0 0 "[ . 1 . ]" 1
104 1 8 GLU H 1 8 GLU QG 2.500 . 3.500 2.128 1.940 3.512 0.012 13 0 "[ . 1 . ]" 1
105 1 8 GLU H 1 9 CYS H 2.500 . 3.000 2.501 2.444 2.575 . 0 0 "[ . 1 . ]" 1
106 1 8 GLU H 1 9 CYS HA 4.500 . 5.500 5.099 5.042 5.173 . 0 0 "[ . 1 . ]" 1
107 1 8 GLU H 1 9 CYS HB2 4.500 . 5.500 4.855 4.776 4.984 . 0 0 "[ . 1 . ]" 1
108 1 8 GLU H 1 10 GLN H 3.800 . 4.800 4.022 3.937 4.197 . 0 0 "[ . 1 . ]" 1
109 1 8 GLU HA 1 8 GLU QG 2.500 . 3.500 3.228 2.061 3.421 . 0 0 "[ . 1 . ]" 1
110 1 8 GLU HA 1 9 CYS H 3.800 . 4.800 3.545 3.519 3.552 . 0 0 "[ . 1 . ]" 1
111 1 8 GLU HA 1 10 GLN H 3.800 . 4.800 3.708 3.608 3.739 . 0 0 "[ . 1 . ]" 1
112 1 8 GLU HA 1 11 GLU H 3.800 . 4.800 3.613 3.587 3.639 . 0 0 "[ . 1 . ]" 1
113 1 8 GLU HA 1 12 ASP H 3.800 . 4.800 3.923 3.889 3.975 . 0 0 "[ . 1 . ]" 1
114 1 8 GLU HA 1 12 ASP HB3 4.500 . 5.500 5.559 5.535 5.575 0.075 15 0 "[ . 1 . ]" 1
115 1 8 GLU QB 1 9 CYS H 2.800 . 4.000 3.312 2.652 3.520 . 0 0 "[ . 1 . ]" 1
116 1 8 GLU QB 1 9 CYS HA 4.500 . 6.000 4.190 3.725 4.490 . 0 0 "[ . 1 . ]" 1
117 1 8 GLU QB 1 9 CYS HB2 4.500 . 6.000 5.626 5.048 5.889 . 0 0 "[ . 1 . ]" 1
118 1 8 GLU QB 1 10 GLN H 3.300 . 4.700 4.662 4.415 4.719 0.019 6 0 "[ . 1 . ]" 1
119 1 8 GLU QB 1 21 GLN HE22 3.800 . 5.300 4.876 4.151 5.304 0.004 5 0 "[ . 1 . ]" 1
120 1 8 GLU QG 1 9 CYS H 3.300 . 4.700 2.204 1.841 4.448 . 0 0 "[ . 1 . ]" 1
121 1 8 GLU QG 1 9 CYS HA 3.800 . 5.300 3.608 3.083 5.334 0.034 16 0 "[ . 1 . ]" 1
122 1 8 GLU QG 1 21 GLN HE21 3.300 . 4.700 3.618 3.050 4.698 . 0 0 "[ . 1 . ]" 1
123 1 8 GLU QG 1 21 GLN HE22 3.800 . 5.300 4.021 3.146 5.311 0.011 13 0 "[ . 1 . ]" 1
124 1 9 CYS H 1 9 CYS HA 2.500 . 3.000 2.759 2.737 2.779 . 0 0 "[ . 1 . ]" 1
125 1 9 CYS H 1 9 CYS HB2 2.500 . 3.000 2.700 2.653 2.787 . 0 0 "[ . 1 . ]" 1
126 1 9 CYS H 1 9 CYS HB3 2.800 . 3.500 3.570 3.567 3.574 0.074 6 0 "[ . 1 . ]" 1
127 1 9 CYS H 1 10 GLN H 2.500 . 3.000 2.779 2.729 2.848 . 0 0 "[ . 1 . ]" 1
128 1 9 CYS H 1 10 GLN HA 4.500 . 5.500 5.306 5.258 5.366 . 0 0 "[ . 1 . ]" 1
129 1 9 CYS H 1 11 GLU H 3.800 . 4.800 4.424 4.394 4.509 . 0 0 "[ . 1 . ]" 1
130 1 9 CYS H 1 12 ASP HB2 4.500 . 5.500 3.734 3.650 3.807 . 0 0 "[ . 1 . ]" 1
131 1 9 CYS H 1 27 CYS HB3 4.500 . 5.500 5.502 5.451 5.526 0.026 10 0 "[ . 1 . ]" 1
132 1 9 CYS HA 1 9 CYS HB2 2.800 . 3.500 3.020 3.016 3.023 . 0 0 "[ . 1 . ]" 1
133 1 9 CYS HA 1 9 CYS HB3 2.500 . 3.000 2.396 2.371 2.411 . 0 0 "[ . 1 . ]" 1
134 1 9 CYS HA 1 10 GLN H 3.300 . 4.200 3.458 3.446 3.473 . 0 0 "[ . 1 . ]" 1
135 1 9 CYS HA 1 11 GLU H 4.500 . 5.500 3.844 3.816 3.910 . 0 0 "[ . 1 . ]" 1
136 1 9 CYS HA 1 12 ASP H 3.300 . 4.200 3.104 3.069 3.139 . 0 0 "[ . 1 . ]" 1
137 1 9 CYS HA 1 12 ASP HB2 2.500 . 3.000 2.403 2.368 2.477 . 0 0 "[ . 1 . ]" 1
138 1 9 CYS HA 1 12 ASP HB3 2.500 . 3.000 2.866 2.795 2.908 . 0 0 "[ . 1 . ]" 1
139 1 9 CYS HA 1 13 ALA H 4.500 . 5.500 2.873 2.434 3.166 . 0 0 "[ . 1 . ]" 1
140 1 9 CYS HB2 1 10 GLN H 3.300 . 4.200 3.045 2.974 3.095 . 0 0 "[ . 1 . ]" 1
141 1 9 CYS HB2 1 10 GLN QB 4.500 . 6.000 4.562 4.415 5.102 . 0 0 "[ . 1 . ]" 1
142 1 9 CYS HB3 1 10 GLN H 3.300 . 4.200 4.092 4.045 4.150 . 0 0 "[ . 1 . ]" 1
143 1 9 CYS HB3 1 22 CYS HB2 3.300 . 4.200 4.255 4.236 4.278 0.078 13 0 "[ . 1 . ]" 1
144 1 9 CYS HB3 1 22 CYS HB3 4.500 . 5.500 2.700 2.674 2.740 . 0 0 "[ . 1 . ]" 1
145 1 10 GLN H 1 10 GLN HA 2.500 . 3.000 2.796 2.777 2.809 . 0 0 "[ . 1 . ]" 1
146 1 10 GLN H 1 10 GLN QB 2.500 . 3.500 2.206 2.045 2.595 . 0 0 "[ . 1 . ]" 1
147 1 10 GLN H 1 10 GLN QG 3.800 . 5.300 3.318 2.064 3.968 . 0 0 "[ . 1 . ]" 1
148 1 10 GLN H 1 11 GLU H 2.500 . 3.000 2.668 2.626 2.733 . 0 0 "[ . 1 . ]" 1
149 1 10 GLN H 1 12 ASP H 3.800 . 4.800 3.783 3.763 3.811 . 0 0 "[ . 1 . ]" 1
150 1 10 GLN HA 1 10 GLN QB 2.500 . 3.700 2.415 2.173 2.521 . 0 0 "[ . 1 . ]" 1
151 1 10 GLN HA 1 10 GLN QG 3.300 . 4.700 2.384 2.017 3.428 . 0 0 "[ . 1 . ]" 1
152 1 10 GLN HA 1 11 GLU H 3.800 . 4.800 3.498 3.491 3.513 . 0 0 "[ . 1 . ]" 1
153 1 10 GLN HA 1 12 ASP H 3.800 . 4.800 4.812 4.804 4.815 0.015 5 0 "[ . 1 . ]" 1
154 1 10 GLN HA 1 12 ASP H 3.800 . 5.300 4.413 4.402 4.422 . 0 0 "[ . 1 . ]" 1
155 1 10 GLN QB 1 11 GLU H 2.500 . 3.500 2.902 2.732 3.518 0.018 7 0 "[ . 1 . ]" 1
156 1 10 GLN QB 1 12 ASP H 3.800 . 5.300 4.532 4.395 5.058 . 0 0 "[ . 1 . ]" 1
157 1 10 GLN QB 1 13 ALA H 4.500 . 6.000 5.333 5.269 5.537 . 0 0 "[ . 1 . ]" 1
158 1 10 GLN QE 1 11 GLU QG 3.800 . 5.300 4.129 2.799 5.295 . 0 0 "[ . 1 . ]" 1
159 1 10 GLN QG 1 11 GLU H 3.800 . 5.300 4.055 2.069 4.597 . 0 0 "[ . 1 . ]" 1
160 1 11 GLU H 1 11 GLU QB 2.500 . 3.500 2.554 2.355 2.975 . 0 0 "[ . 1 . ]" 1
161 1 11 GLU H 1 11 GLU QB 2.500 . 3.700 2.324 1.996 2.455 . 0 0 "[ . 1 . ]" 1
162 1 11 GLU H 1 11 GLU QG 3.300 . 4.700 3.077 2.033 4.177 . 0 0 "[ . 1 . ]" 1
163 1 11 GLU H 1 12 ASP H 2.500 . 3.000 1.857 1.846 1.863 . 0 0 "[ . 1 . ]" 1
164 1 11 GLU H 1 12 ASP HA 4.500 . 5.500 4.574 4.565 4.578 . 0 0 "[ . 1 . ]" 1
165 1 11 GLU H 1 12 ASP HB2 3.800 . 4.800 3.504 3.471 3.516 . 0 0 "[ . 1 . ]" 1
166 1 11 GLU H 1 12 ASP HB3 3.800 . 4.800 4.976 4.919 4.988 0.188 13 0 "[ . 1 . ]" 1
167 1 11 GLU H 1 13 ALA H 3.800 . 4.800 3.417 3.375 3.475 . 0 0 "[ . 1 . ]" 1
168 1 11 GLU H 1 13 ALA MB 4.500 . 6.000 4.535 4.491 4.586 . 0 0 "[ . 1 . ]" 1
169 1 11 GLU HA 1 11 GLU QB 2.500 . 3.700 2.115 1.990 2.252 . 0 0 "[ . 1 . ]" 1
170 1 11 GLU HA 1 12 ASP H 3.300 . 4.200 3.467 3.463 3.471 . 0 0 "[ . 1 . ]" 1
171 1 11 GLU HA 1 13 ALA H 3.800 . 4.800 3.888 3.662 4.283 . 0 0 "[ . 1 . ]" 1
172 1 11 GLU QB 1 12 ASP H 2.500 . 3.700 2.642 2.007 2.825 . 0 0 "[ . 1 . ]" 1
173 1 11 GLU QB 1 12 ASP H 2.800 . 4.000 2.931 2.751 3.514 . 0 0 "[ . 1 . ]" 1
174 1 11 GLU QB 1 13 ALA H 4.500 . 6.000 4.622 4.454 4.786 . 0 0 "[ . 1 . ]" 1
175 1 11 GLU QG 1 12 ASP H 3.800 . 5.300 3.850 2.019 4.478 . 0 0 "[ . 1 . ]" 1
176 1 12 ASP H 1 12 ASP HA 2.800 . 3.500 2.818 2.813 2.823 . 0 0 "[ . 1 . ]" 1
177 1 12 ASP H 1 12 ASP HB2 2.500 . 3.000 1.981 1.955 1.986 . 0 0 "[ . 1 . ]" 1
178 1 12 ASP H 1 12 ASP HB3 2.500 . 3.000 3.271 3.229 3.276 0.276 7 0 "[ . 1 . ]" 1
179 1 12 ASP H 1 13 ALA H 2.500 . 3.000 2.551 2.523 2.579 . 0 0 "[ . 1 . ]" 1
180 1 12 ASP H 1 13 ALA MB 3.300 . 4.700 4.244 4.227 4.266 . 0 0 "[ . 1 . ]" 1
181 1 12 ASP H 1 15 ASN HD21 4.500 . 5.500 4.996 4.826 5.214 . 0 0 "[ . 1 . ]" 1
182 1 12 ASP H 1 15 ASN HD22 4.500 . 5.500 5.481 5.261 5.514 0.014 15 0 "[ . 1 . ]" 1
183 1 12 ASP HA 1 12 ASP HB2 2.500 . 3.000 2.910 2.896 2.912 . 0 0 "[ . 1 . ]" 1
184 1 12 ASP HA 1 12 ASP HB3 2.500 . 3.000 2.749 2.747 2.764 . 0 0 "[ . 1 . ]" 1
185 1 12 ASP HA 1 13 ALA H 3.300 . 4.200 3.451 3.391 3.528 . 0 0 "[ . 1 . ]" 1
186 1 12 ASP HA 1 15 ASN H 4.500 . 5.500 5.193 4.915 5.469 . 0 0 "[ . 1 . ]" 1
187 1 12 ASP HA 1 15 ASN HB3 3.800 . 4.800 3.494 3.233 3.808 . 0 0 "[ . 1 . ]" 1
188 1 12 ASP HA 1 15 ASN HD21 2.800 . 3.500 2.203 2.015 2.430 . 0 0 "[ . 1 . ]" 1
189 1 12 ASP HA 1 15 ASN HD22 2.800 . 3.500 2.873 2.595 2.955 . 0 0 "[ . 1 . ]" 1
190 1 12 ASP HB2 1 13 ALA H 3.800 . 4.800 3.322 3.059 3.497 . 0 0 "[ . 1 . ]" 1
191 1 12 ASP HB2 1 13 ALA MB 4.500 . 6.000 4.545 4.460 4.612 . 0 0 "[ . 1 . ]" 1
192 1 12 ASP HB2 1 15 ASN HD21 4.500 . 5.500 4.918 4.704 5.159 . 0 0 "[ . 1 . ]" 1
193 1 12 ASP HB2 1 15 ASN HD22 4.500 . 5.500 4.834 4.726 4.957 . 0 0 "[ . 1 . ]" 1
194 1 12 ASP HB2 1 19 SER QB 3.800 . 5.300 4.985 4.744 5.248 . 0 0 "[ . 1 . ]" 1
195 1 12 ASP HB3 1 13 ALA H 3.300 . 4.200 3.522 3.227 3.706 . 0 0 "[ . 1 . ]" 1
196 1 12 ASP HB3 1 13 ALA MB 4.500 . 6.000 4.385 4.287 4.468 . 0 0 "[ . 1 . ]" 1
197 1 12 ASP HB3 1 19 SER QB 3.800 . 5.300 3.656 3.351 3.960 . 0 0 "[ . 1 . ]" 1
198 1 13 ALA H 1 13 ALA HA 2.500 . 3.000 2.884 2.839 2.912 . 0 0 "[ . 1 . ]" 1
199 1 13 ALA H 1 13 ALA MB 2.500 . 3.500 2.277 2.249 2.316 . 0 0 "[ . 1 . ]" 1
200 1 13 ALA H 1 14 GLY H 4.500 . 5.500 4.533 4.471 4.584 . 0 0 "[ . 1 . ]" 1
201 1 13 ALA H 1 15 ASN H 4.500 . 5.500 5.435 5.365 5.502 0.002 4 0 "[ . 1 . ]" 1
202 1 13 ALA HA 1 14 GLY H 2.500 . 3.000 2.181 2.145 2.257 . 0 0 "[ . 1 . ]" 1
203 1 13 ALA HA 1 15 ASN H 3.300 . 4.200 3.907 3.775 4.004 . 0 0 "[ . 1 . ]" 1
204 1 13 ALA MB 1 14 GLY H 2.800 . 4.000 3.032 2.736 3.252 . 0 0 "[ . 1 . ]" 1
205 1 13 ALA MB 1 15 ASN H 3.800 . 5.300 4.898 4.730 5.015 . 0 0 "[ . 1 . ]" 1
206 1 13 ALA MB 1 30 ASP H 3.800 . 5.300 3.737 3.607 3.852 . 0 0 "[ . 1 . ]" 1
207 1 13 ALA MB 1 30 ASP HA 3.300 . 4.700 2.496 2.303 2.674 . 0 0 "[ . 1 . ]" 1
208 1 13 ALA MB 1 31 GLY H 3.300 . 4.700 2.667 2.575 2.767 . 0 0 "[ . 1 . ]" 1
209 1 13 ALA MB 1 31 GLY QA 2.800 . 4.000 2.400 2.205 2.544 . 0 0 "[ . 1 . ]" 1
210 1 13 ALA MB 1 32 GLY H 4.500 . 6.000 4.388 4.206 4.510 . 0 0 "[ . 1 . ]" 1
211 1 14 GLY H 1 15 ASN H 2.500 . 3.000 2.620 2.472 2.800 . 0 0 "[ . 1 . ]" 1
212 1 14 GLY H 1 16 LYS H 3.800 . 4.800 4.201 4.064 4.387 . 0 0 "[ . 1 . ]" 1
213 1 14 GLY H 1 30 ASP HA 3.300 . 4.200 4.235 4.219 4.249 0.049 3 0 "[ . 1 . ]" 1
214 1 14 GLY H 1 31 GLY H 3.800 . 4.800 4.368 4.164 4.575 . 0 0 "[ . 1 . ]" 1
215 1 14 GLY H 1 31 GLY QA 2.500 . 3.500 2.450 2.108 2.774 . 0 0 "[ . 1 . ]" 1
216 1 14 GLY H 1 33 ASP HB2 3.800 . 4.800 3.739 3.244 4.378 . 0 0 "[ . 1 . ]" 1
217 1 14 GLY H 1 34 CYS H 4.500 . 5.500 5.579 5.553 5.608 0.108 2 0 "[ . 1 . ]" 1
218 1 14 GLY QA 1 15 ASN H 2.500 . 3.500 2.696 2.654 2.727 . 0 0 "[ . 1 . ]" 1
219 1 14 GLY QA 1 16 LYS H 3.800 . 5.300 3.095 3.047 3.147 . 0 0 "[ . 1 . ]" 1
220 1 15 ASN H 1 15 ASN HA 2.500 . 3.000 2.927 2.923 2.930 . 0 0 "[ . 1 . ]" 1
221 1 15 ASN H 1 15 ASN HB2 2.800 . 3.500 3.664 3.650 3.680 0.180 4 0 "[ . 1 . ]" 1
222 1 15 ASN H 1 15 ASN HB3 2.500 . 3.000 3.068 3.040 3.103 0.103 5 0 "[ . 1 . ]" 1
223 1 15 ASN H 1 15 ASN HD21 3.800 . 4.800 4.315 4.251 4.394 . 0 0 "[ . 1 . ]" 1
224 1 15 ASN H 1 15 ASN HD22 4.500 . 5.500 4.163 4.127 4.215 . 0 0 "[ . 1 . ]" 1
225 1 15 ASN H 1 16 LYS H 2.500 . 3.000 2.248 2.231 2.267 . 0 0 "[ . 1 . ]" 1
226 1 15 ASN H 1 16 LYS HA 3.300 . 4.200 4.328 4.313 4.346 0.146 15 0 "[ . 1 . ]" 1
227 1 15 ASN H 1 16 LYS HB2 4.500 . 5.500 5.531 5.523 5.540 0.040 2 0 "[ . 1 . ]" 1
228 1 15 ASN H 1 16 LYS HG2 4.500 . 5.500 4.737 4.713 4.757 . 0 0 "[ . 1 . ]" 1
229 1 15 ASN H 1 17 VAL H 3.300 . 4.200 3.023 2.984 3.080 . 0 0 "[ . 1 . ]" 1
230 1 15 ASN H 1 17 VAL QG 4.500 . 6.000 3.711 3.667 3.746 . 0 0 "[ . 1 . ]" 1
231 1 15 ASN H 1 31 GLY QA 4.500 . 6.000 4.752 4.600 4.917 . 0 0 "[ . 1 . ]" 1
232 1 15 ASN HA 1 15 ASN HB2 2.500 . 3.000 2.498 2.488 2.513 . 0 0 "[ . 1 . ]" 1
233 1 15 ASN HA 1 15 ASN HB3 2.800 . 3.500 2.405 2.386 2.419 . 0 0 "[ . 1 . ]" 1
234 1 15 ASN HA 1 15 ASN HB3 2.500 . 3.700 2.309 2.294 2.319 . 0 0 "[ . 1 . ]" 1
235 1 15 ASN HA 1 15 ASN HD21 3.800 . 4.800 4.592 4.586 4.600 . 0 0 "[ . 1 . ]" 1
236 1 15 ASN HA 1 15 ASN HD22 4.500 . 5.500 5.377 5.373 5.380 . 0 0 "[ . 1 . ]" 1
237 1 15 ASN HA 1 16 LYS H 3.300 . 4.200 3.097 3.080 3.119 . 0 0 "[ . 1 . ]" 1
238 1 15 ASN HA 1 17 VAL H 3.800 . 4.800 4.295 4.271 4.313 . 0 0 "[ . 1 . ]" 1
239 1 15 ASN HB2 1 15 ASN HD21 2.500 . 3.000 2.670 2.605 2.727 . 0 0 "[ . 1 . ]" 1
240 1 15 ASN HB2 1 15 ASN HD22 3.300 . 4.200 3.661 3.632 3.687 . 0 0 "[ . 1 . ]" 1
241 1 15 ASN HB2 1 16 LYS H 4.500 . 5.500 4.356 4.339 4.368 . 0 0 "[ . 1 . ]" 1
242 1 15 ASN HB2 1 17 VAL QG 3.800 . 5.300 2.510 2.427 2.572 . 0 0 "[ . 1 . ]" 1
243 1 15 ASN HB3 1 15 ASN HD21 2.800 . 3.500 2.407 2.364 2.459 . 0 0 "[ . 1 . ]" 1
244 1 15 ASN HB3 1 15 ASN HD22 2.800 . 3.500 3.546 3.531 3.565 0.065 7 0 "[ . 1 . ]" 1
245 1 15 ASN HB3 1 16 LYS H 3.800 . 4.800 4.498 4.487 4.511 . 0 0 "[ . 1 . ]" 1
246 1 15 ASN HB3 1 16 LYS HD3 4.500 . 5.500 5.516 5.509 5.520 0.020 14 0 "[ . 1 . ]" 1
247 1 15 ASN HB3 1 17 VAL QG 4.500 . 6.000 3.561 3.506 3.595 . 0 0 "[ . 1 . ]" 1
248 1 15 ASN HD21 1 17 VAL H 4.500 . 5.500 4.833 4.759 4.880 . 0 0 "[ . 1 . ]" 1
249 1 15 ASN HD21 1 17 VAL HB 3.300 . 4.200 4.202 4.147 4.226 0.026 15 0 "[ . 1 . ]" 1
250 1 15 ASN HD21 1 17 VAL QG 3.800 . 5.300 2.869 2.713 2.975 . 0 0 "[ . 1 . ]" 1
251 1 15 ASN HD22 1 17 VAL H 3.800 . 4.800 4.172 4.136 4.198 . 0 0 "[ . 1 . ]" 1
252 1 15 ASN HD22 1 17 VAL HB 2.800 . 3.500 2.889 2.845 2.970 . 0 0 "[ . 1 . ]" 1
253 1 15 ASN HD22 1 17 VAL QG 3.300 . 4.700 2.585 2.497 2.675 . 0 0 "[ . 1 . ]" 1
254 1 16 LYS H 1 16 LYS HA 2.500 . 3.000 2.242 2.235 2.246 . 0 0 "[ . 1 . ]" 1
255 1 16 LYS H 1 16 LYS HB2 3.300 . 4.200 3.801 3.799 3.804 . 0 0 "[ . 1 . ]" 1
256 1 16 LYS H 1 16 LYS HB3 3.300 . 4.200 3.923 3.911 3.928 . 0 0 "[ . 1 . ]" 1
257 1 16 LYS H 1 16 LYS HD3 3.300 . 4.200 2.268 2.163 2.335 . 0 0 "[ . 1 . ]" 1
258 1 16 LYS H 1 16 LYS HG2 3.300 . 4.200 3.164 3.136 3.176 . 0 0 "[ . 1 . ]" 1
259 1 16 LYS H 1 16 LYS HG3 3.300 . 4.200 4.313 4.295 4.322 0.122 8 0 "[ . 1 . ]" 1
260 1 16 LYS H 1 17 VAL H 2.500 . 3.000 2.666 2.644 2.689 . 0 0 "[ . 1 . ]" 1
261 1 16 LYS H 1 17 VAL HB 4.500 . 5.500 5.364 5.318 5.415 . 0 0 "[ . 1 . ]" 1
262 1 16 LYS H 1 17 VAL QG 3.800 . 5.300 3.800 3.774 3.820 . 0 0 "[ . 1 . ]" 1
263 1 16 LYS H 1 33 ASP HA 3.800 . 4.800 3.769 3.599 3.877 . 0 0 "[ . 1 . ]" 1
264 1 16 LYS H 1 33 ASP HB2 3.800 . 4.800 4.787 4.693 4.824 0.024 8 0 "[ . 1 . ]" 1
265 1 16 LYS HA 1 16 LYS HB2 2.500 . 3.000 2.981 2.979 2.982 . 0 0 "[ . 1 . ]" 1
266 1 16 LYS HA 1 16 LYS HB3 2.500 . 3.000 2.308 2.304 2.310 . 0 0 "[ . 1 . ]" 1
267 1 16 LYS HA 1 16 LYS HD3 2.800 . 3.500 3.031 2.913 3.117 . 0 0 "[ . 1 . ]" 1
268 1 16 LYS HA 1 16 LYS HG2 2.800 . 3.500 3.530 3.519 3.534 0.034 5 0 "[ . 1 . ]" 1
269 1 16 LYS HA 1 16 LYS HG3 3.800 . 4.800 3.809 3.803 3.820 . 0 0 "[ . 1 . ]" 1
270 1 16 LYS HA 1 17 VAL H 2.800 . 3.500 3.138 3.121 3.157 . 0 0 "[ . 1 . ]" 1
271 1 16 LYS HA 1 17 VAL QG 4.500 . 6.000 4.272 4.260 4.284 . 0 0 "[ . 1 . ]" 1
272 1 16 LYS HA 1 33 ASP HA 3.300 . 4.200 3.317 3.142 3.442 . 0 0 "[ . 1 . ]" 1
273 1 16 LYS HB2 1 16 LYS HD3 3.800 . 4.800 3.878 3.832 3.909 . 0 0 "[ . 1 . ]" 1
274 1 16 LYS HB2 1 16 LYS HG2 2.500 . 3.000 2.358 2.356 2.364 . 0 0 "[ . 1 . ]" 1
275 1 16 LYS HB2 1 16 LYS HG3 2.800 . 3.500 2.504 2.495 2.509 . 0 0 "[ . 1 . ]" 1
276 1 16 LYS HB2 1 17 VAL H 3.300 . 4.200 3.804 3.782 3.820 . 0 0 "[ . 1 . ]" 1
277 1 16 LYS HB2 1 17 VAL QG 3.800 . 5.300 3.581 3.549 3.638 . 0 0 "[ . 1 . ]" 1
278 1 16 LYS HD3 1 16 LYS HE3 2.800 . 3.500 2.839 2.517 3.018 . 0 0 "[ . 1 . ]" 1
279 1 16 LYS HD3 1 16 LYS HG2 2.800 . 3.500 2.257 2.241 2.283 . 0 0 "[ . 1 . ]" 1
280 1 16 LYS HD3 1 16 LYS HG3 2.800 . 3.500 2.940 2.920 2.966 . 0 0 "[ . 1 . ]" 1
281 1 16 LYS HE3 1 16 LYS HG3 3.800 . 4.800 2.422 2.016 3.452 . 0 0 "[ . 1 . ]" 1
282 1 16 LYS HG3 1 17 VAL H 4.500 . 5.500 5.611 5.596 5.621 0.121 10 0 "[ . 1 . ]" 1
283 1 17 VAL H 1 17 VAL HA 2.800 . 3.500 2.928 2.924 2.930 . 0 0 "[ . 1 . ]" 1
284 1 17 VAL H 1 17 VAL HB 2.500 . 3.000 2.826 2.793 2.852 . 0 0 "[ . 1 . ]" 1
285 1 17 VAL H 1 17 VAL QG 2.500 . 3.500 1.972 1.925 2.015 . 0 0 "[ . 1 . ]" 1
286 1 17 VAL H 1 18 CYS H 3.800 . 4.800 4.054 4.027 4.078 . 0 0 "[ . 1 . ]" 1
287 1 17 VAL H 1 33 ASP HB2 3.800 . 4.800 3.972 3.547 4.241 . 0 0 "[ . 1 . ]" 1
288 1 17 VAL HA 1 17 VAL HB 2.800 . 3.500 3.000 2.995 3.004 . 0 0 "[ . 1 . ]" 1
289 1 17 VAL HA 1 17 VAL QG 2.500 . 3.500 2.114 2.106 2.121 . 0 0 "[ . 1 . ]" 1
290 1 17 VAL HA 1 18 CYS H 2.500 . 3.000 3.108 3.094 3.120 0.120 11 0 "[ . 1 . ]" 1
291 1 17 VAL HA 1 18 CYS HB2 4.500 . 5.500 4.265 4.240 4.276 . 0 0 "[ . 1 . ]" 1
292 1 17 VAL HA 1 18 CYS HB3 4.500 . 5.500 4.616 4.579 4.663 . 0 0 "[ . 1 . ]" 1
293 1 17 VAL HB 1 18 CYS H 3.800 . 4.800 1.968 1.958 1.986 . 0 0 "[ . 1 . ]" 1
294 1 17 VAL QG 1 18 CYS H 3.300 . 4.700 1.892 1.855 1.922 . 0 0 "[ . 1 . ]" 1
295 1 17 VAL QG 1 18 CYS HB2 4.500 . 6.000 3.901 3.847 3.943 . 0 0 "[ . 1 . ]" 1
296 1 17 VAL QG 1 18 CYS HB3 4.500 . 6.000 3.374 3.292 3.466 . 0 0 "[ . 1 . ]" 1
297 1 17 VAL QG 1 19 SER H 4.500 . 6.000 4.702 4.677 4.730 . 0 0 "[ . 1 . ]" 1
298 1 17 VAL QG 1 19 SER QB 4.500 . 6.000 4.624 4.530 4.783 . 0 0 "[ . 1 . ]" 1
299 1 18 CYS H 1 18 CYS HB2 3.300 . 4.200 3.435 3.407 3.456 . 0 0 "[ . 1 . ]" 1
300 1 18 CYS H 1 18 CYS HB3 3.300 . 4.200 2.967 2.933 3.000 . 0 0 "[ . 1 . ]" 1
301 1 18 CYS H 1 19 SER H 3.800 . 4.800 3.698 3.680 3.740 . 0 0 "[ . 1 . ]" 1
302 1 18 CYS H 1 33 ASP HB2 3.800 . 4.800 4.419 3.771 4.839 0.039 9 0 "[ . 1 . ]" 1
303 1 18 CYS H 1 33 ASP HB3 4.500 . 5.500 3.713 3.531 4.006 . 0 0 "[ . 1 . ]" 1
304 1 18 CYS H 1 34 CYS HA 3.800 . 4.800 4.997 4.947 5.006 0.206 4 0 "[ . 1 . ]" 1
305 1 18 CYS HA 1 18 CYS HB3 2.800 . 3.500 3.014 3.012 3.015 . 0 0 "[ . 1 . ]" 1
306 1 18 CYS HA 1 19 SER H 2.500 . 3.700 2.076 2.064 2.081 . 0 0 "[ . 1 . ]" 1
307 1 18 CYS HA 1 33 ASP H 3.800 . 4.800 4.716 4.588 4.790 . 0 0 "[ . 1 . ]" 1
308 1 18 CYS HA 1 33 ASP HB2 3.800 . 4.800 2.948 2.376 3.344 . 0 0 "[ . 1 . ]" 1
309 1 18 CYS HA 1 33 ASP HB3 2.800 . 3.500 2.948 2.552 3.487 . 0 0 "[ . 1 . ]" 1
310 1 18 CYS HB2 1 19 SER H 3.800 . 4.800 4.397 4.366 4.408 . 0 0 "[ . 1 . ]" 1
311 1 18 CYS HB2 1 20 LEU QD 4.500 . 6.000 5.669 5.576 5.833 . 0 0 "[ . 1 . ]" 1
312 1 18 CYS HB2 1 34 CYS H 4.500 . 5.500 4.701 4.662 4.743 . 0 0 "[ . 1 . ]" 1
313 1 18 CYS HB2 1 34 CYS HA 2.500 . 3.000 2.439 2.403 2.473 . 0 0 "[ . 1 . ]" 1
314 1 18 CYS HB2 1 34 CYS HB3 3.800 . 4.800 4.848 4.829 4.871 0.071 5 0 "[ . 1 . ]" 1
315 1 18 CYS HB3 1 19 SER H 3.300 . 4.200 4.369 4.342 4.376 0.176 13 0 "[ . 1 . ]" 1
316 1 18 CYS HB3 1 19 SER H 3.300 . 4.800 3.569 3.513 3.615 . 0 0 "[ . 1 . ]" 1
317 1 18 CYS HB3 1 20 LEU QD 4.500 . 6.000 5.258 5.101 5.454 . 0 0 "[ . 1 . ]" 1
318 1 18 CYS HB3 1 30 ASP HA 2.500 . 3.700 2.893 2.887 2.898 . 0 0 "[ . 1 . ]" 1
319 1 18 CYS HB3 1 33 ASP HB3 3.800 . 5.300 4.630 4.315 5.100 . 0 0 "[ . 1 . ]" 1
320 1 18 CYS HB3 1 34 CYS H 3.800 . 5.300 2.852 2.785 2.957 . 0 0 "[ . 1 . ]" 1
321 1 19 SER H 1 19 SER QB 2.500 . 3.500 2.729 2.436 3.182 . 0 0 "[ . 1 . ]" 1
322 1 19 SER H 1 20 LEU H 3.800 . 4.800 4.036 3.993 4.074 . 0 0 "[ . 1 . ]" 1
323 1 19 SER H 1 20 LEU HA 4.500 . 5.500 4.695 4.663 4.741 . 0 0 "[ . 1 . ]" 1
324 1 19 SER H 1 20 LEU QD 4.500 . 6.000 5.047 4.990 5.138 . 0 0 "[ . 1 . ]" 1
325 1 19 SER H 1 22 CYS H 4.500 . 5.500 4.867 4.807 5.028 . 0 0 "[ . 1 . ]" 1
326 1 19 SER H 1 22 CYS HB2 3.800 . 4.800 4.223 4.167 4.306 . 0 0 "[ . 1 . ]" 1
327 1 19 SER H 1 22 CYS HB3 4.500 . 5.500 5.556 5.538 5.583 0.083 13 0 "[ . 1 . ]" 1
328 1 19 SER H 1 30 ASP HA 4.500 . 5.500 5.386 5.248 5.470 . 0 0 "[ . 1 . ]" 1
329 1 19 SER H 1 30 ASP HB3 3.300 . 4.200 3.786 3.700 3.858 . 0 0 "[ . 1 . ]" 1
330 1 19 SER H 1 33 ASP HB2 3.300 . 4.200 3.172 2.876 3.410 . 0 0 "[ . 1 . ]" 1
331 1 19 SER H 1 33 ASP HB3 3.800 . 4.800 3.945 3.488 4.515 . 0 0 "[ . 1 . ]" 1
332 1 19 SER HA 1 20 LEU H 2.500 . 3.000 2.081 2.067 2.087 . 0 0 "[ . 1 . ]" 1
333 1 19 SER HA 1 20 LEU QB 2.800 . 4.000 4.208 4.172 4.215 0.215 14 0 "[ . 1 . ]" 1
334 1 19 SER HA 1 20 LEU HG 3.800 . 4.800 3.929 3.909 3.990 . 0 0 "[ . 1 . ]" 1
335 1 19 SER HA 1 21 GLN H 3.800 . 4.800 3.649 3.585 3.858 . 0 0 "[ . 1 . ]" 1
336 1 19 SER HA 1 21 GLN HE22 4.500 . 5.500 4.043 3.006 4.345 . 0 0 "[ . 1 . ]" 1
337 1 19 SER HA 1 22 CYS H 3.800 . 4.800 4.331 4.287 4.392 . 0 0 "[ . 1 . ]" 1
338 1 19 SER QB 1 20 LEU H 3.300 . 4.700 3.543 3.478 3.622 . 0 0 "[ . 1 . ]" 1
339 1 19 SER QB 1 21 GLN H 3.300 . 4.700 3.464 3.338 3.750 . 0 0 "[ . 1 . ]" 1
340 1 19 SER QB 1 21 GLN HE21 3.800 . 5.300 3.309 2.689 3.521 . 0 0 "[ . 1 . ]" 1
341 1 19 SER QB 1 21 GLN HE22 3.300 . 4.700 2.057 1.959 2.240 . 0 0 "[ . 1 . ]" 1
342 1 19 SER QB 1 21 GLN QG 4.500 . 6.000 3.909 3.784 4.008 . 0 0 "[ . 1 . ]" 1
343 1 19 SER QB 1 22 CYS H 2.800 . 4.000 2.740 2.675 2.832 . 0 0 "[ . 1 . ]" 1
344 1 19 SER QB 1 22 CYS HB2 2.500 . 3.500 2.090 1.883 2.237 . 0 0 "[ . 1 . ]" 1
345 1 19 SER QB 1 22 CYS HB3 3.800 . 5.300 3.613 3.310 3.852 . 0 0 "[ . 1 . ]" 1
346 1 19 SER QB 1 23 ASN H 3.800 . 5.300 3.917 3.786 4.021 . 0 0 "[ . 1 . ]" 1
347 1 19 SER QB 1 30 ASP HB2 4.500 . 6.000 3.504 3.051 3.882 . 0 0 "[ . 1 . ]" 1
348 1 19 SER QB 1 30 ASP HB3 3.800 . 5.300 4.535 4.051 5.065 . 0 0 "[ . 1 . ]" 1
349 1 20 LEU H 1 20 LEU HA 2.800 . 3.500 2.822 2.805 2.832 . 0 0 "[ . 1 . ]" 1
350 1 20 LEU H 1 20 LEU QB 2.500 . 3.500 2.317 2.301 2.326 . 0 0 "[ . 1 . ]" 1
351 1 20 LEU H 1 20 LEU QD 2.800 . 4.000 2.983 2.953 3.018 . 0 0 "[ . 1 . ]" 1
352 1 20 LEU H 1 20 LEU HG 2.800 . 3.500 2.271 2.249 2.321 . 0 0 "[ . 1 . ]" 1
353 1 20 LEU H 1 21 GLN H 2.500 . 3.000 2.554 2.511 2.673 . 0 0 "[ . 1 . ]" 1
354 1 20 LEU H 1 21 GLN HA 4.500 . 5.500 5.188 5.154 5.277 . 0 0 "[ . 1 . ]" 1
355 1 20 LEU H 1 21 GLN QB 4.500 . 6.000 5.010 4.473 5.235 . 0 0 "[ . 1 . ]" 1
356 1 20 LEU H 1 22 CYS H 3.800 . 4.800 3.924 3.836 3.961 . 0 0 "[ . 1 . ]" 1
357 1 20 LEU H 1 23 ASN H 4.500 . 5.500 4.574 4.532 4.599 . 0 0 "[ . 1 . ]" 1
358 1 20 LEU HA 1 20 LEU QD 2.500 . 3.500 2.304 2.196 2.450 . 0 0 "[ . 1 . ]" 1
359 1 20 LEU HA 1 20 LEU HG 2.800 . 3.500 2.758 2.729 2.770 . 0 0 "[ . 1 . ]" 1
360 1 20 LEU HA 1 21 GLN H 3.300 . 4.200 3.496 3.482 3.533 . 0 0 "[ . 1 . ]" 1
361 1 20 LEU HA 1 22 CYS H 3.300 . 4.200 3.532 3.511 3.580 . 0 0 "[ . 1 . ]" 1
362 1 20 LEU HA 1 23 ASN H 2.800 . 3.500 2.986 2.959 3.044 . 0 0 "[ . 1 . ]" 1
363 1 20 LEU HA 1 23 ASN HB2 2.500 . 3.000 2.452 2.435 2.470 . 0 0 "[ . 1 . ]" 1
364 1 20 LEU HA 1 23 ASN HB3 2.500 . 3.000 2.589 2.529 2.692 . 0 0 "[ . 1 . ]" 1
365 1 20 LEU HA 1 23 ASN HD21 3.800 . 4.800 3.143 3.122 3.155 . 0 0 "[ . 1 . ]" 1
366 1 20 LEU HA 1 23 ASN HD22 3.800 . 4.800 4.834 4.813 4.846 0.046 9 0 "[ . 1 . ]" 1
367 1 20 LEU QB 1 20 LEU QD 2.500 . 3.500 1.867 1.794 1.919 0.006 15 0 "[ . 1 . ]" 1
368 1 20 LEU QB 1 20 LEU HG 2.500 . 3.500 2.439 2.436 2.444 . 0 0 "[ . 1 . ]" 1
369 1 20 LEU QB 1 21 GLN H 3.300 . 4.700 2.517 2.337 2.574 . 0 0 "[ . 1 . ]" 1
370 1 20 LEU QB 1 23 ASN H 4.500 . 6.000 4.456 4.380 4.475 . 0 0 "[ . 1 . ]" 1
371 1 20 LEU QD 1 21 GLN H 3.800 . 5.300 3.966 3.880 4.020 . 0 0 "[ . 1 . ]" 1
372 1 20 LEU QD 1 22 CYS H 4.500 . 6.000 4.996 4.950 5.048 . 0 0 "[ . 1 . ]" 1
373 1 20 LEU QD 1 23 ASN H 3.800 . 5.300 4.645 4.551 4.711 . 0 0 "[ . 1 . ]" 1
374 1 20 LEU QD 1 23 ASN HB2 3.800 . 5.300 3.762 3.681 3.833 . 0 0 "[ . 1 . ]" 1
375 1 20 LEU QD 1 23 ASN HB3 2.800 . 4.000 3.434 3.271 3.595 . 0 0 "[ . 1 . ]" 1
376 1 20 LEU QD 1 23 ASN HD21 3.300 . 4.700 2.891 2.765 3.062 . 0 0 "[ . 1 . ]" 1
377 1 20 LEU QD 1 23 ASN HD22 3.300 . 4.700 4.156 4.050 4.319 . 0 0 "[ . 1 . ]" 1
378 1 20 LEU QD 1 34 CYS HB2 3.800 . 5.300 4.029 3.899 4.143 . 0 0 "[ . 1 . ]" 1
379 1 20 LEU QD 1 34 CYS HB3 3.300 . 4.700 3.298 3.147 3.439 . 0 0 "[ . 1 . ]" 1
380 1 20 LEU HG 1 21 GLN H 3.300 . 4.200 4.322 4.298 4.327 0.127 11 0 "[ . 1 . ]" 1
381 1 20 LEU HG 1 23 ASN H 4.500 . 5.500 5.549 5.538 5.560 0.060 5 0 "[ . 1 . ]" 1
382 1 21 GLN H 1 21 GLN HA 2.500 . 3.000 2.832 2.789 2.843 . 0 0 "[ . 1 . ]" 1
383 1 21 GLN H 1 21 GLN QB 3.300 . 4.700 2.802 2.236 2.984 . 0 0 "[ . 1 . ]" 1
384 1 21 GLN H 1 21 GLN HE21 4.500 . 5.500 4.029 3.819 4.736 . 0 0 "[ . 1 . ]" 1
385 1 21 GLN H 1 21 GLN HE22 3.800 . 4.800 3.998 3.781 4.265 . 0 0 "[ . 1 . ]" 1
386 1 21 GLN H 1 21 GLN QG 3.300 . 4.700 2.272 1.879 3.485 . 0 0 "[ . 1 . ]" 1
387 1 21 GLN H 1 22 CYS H 2.500 . 3.000 2.681 2.654 2.805 . 0 0 "[ . 1 . ]" 1
388 1 21 GLN H 1 23 ASN H 3.800 . 4.800 3.972 3.950 4.067 . 0 0 "[ . 1 . ]" 1
389 1 21 GLN H 1 23 ASN HB2 4.500 . 5.500 5.056 5.022 5.172 . 0 0 "[ . 1 . ]" 1
390 1 21 GLN H 1 24 ASN HD21 4.500 . 5.500 5.527 5.516 5.539 0.039 4 0 "[ . 1 . ]" 1
391 1 21 GLN HA 1 21 GLN QB 2.500 . 3.500 2.150 2.143 2.170 . 0 0 "[ . 1 . ]" 1
392 1 21 GLN HA 1 21 GLN QG 2.800 . 4.000 3.280 3.194 3.451 . 0 0 "[ . 1 . ]" 1
393 1 21 GLN HA 1 22 CYS H 3.300 . 4.200 3.341 3.327 3.370 . 0 0 "[ . 1 . ]" 1
394 1 21 GLN HA 1 23 ASN H 3.800 . 4.800 4.231 4.182 4.254 . 0 0 "[ . 1 . ]" 1
395 1 21 GLN HA 1 24 ASN HD21 4.500 . 5.500 3.943 3.854 3.975 . 0 0 "[ . 1 . ]" 1
396 1 21 GLN QB 1 21 GLN HE21 3.300 . 4.700 2.473 1.926 4.022 . 0 0 "[ . 1 . ]" 1
397 1 21 GLN QB 1 21 GLN HE22 3.800 . 5.300 3.667 3.390 4.424 . 0 0 "[ . 1 . ]" 1
398 1 21 GLN QB 1 22 CYS H 2.800 . 4.000 3.693 3.614 3.855 . 0 0 "[ . 1 . ]" 1
399 1 21 GLN HE21 1 21 GLN QG 2.500 . 3.500 2.518 2.177 2.633 . 0 0 "[ . 1 . ]" 1
400 1 21 GLN HE22 1 21 GLN QG 3.300 . 4.700 3.376 3.212 3.436 . 0 0 "[ . 1 . ]" 1
401 1 21 GLN HE22 1 23 ASN H 4.500 . 5.500 5.481 5.185 5.568 0.068 13 0 "[ . 1 . ]" 1
402 1 21 GLN QG 1 22 CYS H 3.800 . 5.300 3.903 3.376 4.059 . 0 0 "[ . 1 . ]" 1
403 1 22 CYS H 1 22 CYS HA 2.500 . 3.000 2.944 2.942 2.946 . 0 0 "[ . 1 . ]" 1
404 1 22 CYS H 1 22 CYS HB2 2.500 . 3.000 2.457 2.427 2.476 . 0 0 "[ . 1 . ]" 1
405 1 22 CYS H 1 22 CYS HB3 3.300 . 4.200 3.652 3.629 3.668 . 0 0 "[ . 1 . ]" 1
406 1 22 CYS H 1 23 ASN H 2.500 . 3.000 1.830 1.813 1.866 . 0 0 "[ . 1 . ]" 1
407 1 22 CYS H 1 23 ASN HB2 3.800 . 4.800 3.606 3.575 3.651 . 0 0 "[ . 1 . ]" 1
408 1 22 CYS H 1 23 ASN HB3 3.300 . 4.200 4.277 4.250 4.291 0.091 5 0 "[ . 1 . ]" 1
409 1 22 CYS H 1 30 ASP HB3 3.800 . 4.800 4.979 4.930 4.986 0.186 12 0 "[ . 1 . ]" 1
410 1 22 CYS HA 1 24 ASN HD22 2.800 . 4.300 2.192 2.108 2.249 . 0 0 "[ . 1 . ]" 1
411 1 22 CYS HA 1 24 ASN HD21 3.800 . 4.800 3.518 3.455 3.578 . 0 0 "[ . 1 . ]" 1
412 1 22 CYS HA 1 24 ASN HD22 3.300 . 4.200 2.196 2.111 2.252 . 0 0 "[ . 1 . ]" 1
413 1 22 CYS HB2 1 23 ASN H 3.300 . 4.200 3.187 3.144 3.233 . 0 0 "[ . 1 . ]" 1
414 1 22 CYS HB2 1 30 ASP H 3.300 . 4.200 4.223 4.209 4.248 0.048 13 0 "[ . 1 . ]" 1
415 1 22 CYS HB2 1 30 ASP HA 3.800 . 4.800 3.142 3.079 3.203 . 0 0 "[ . 1 . ]" 1
416 1 22 CYS HB2 1 30 ASP HB2 2.800 . 3.500 2.437 2.395 2.518 . 0 0 "[ . 1 . ]" 1
417 1 22 CYS HB2 1 30 ASP HB3 3.300 . 4.200 4.056 3.993 4.169 . 0 0 "[ . 1 . ]" 1
418 1 22 CYS HB3 1 23 ASN H 3.800 . 4.800 3.904 3.849 3.940 . 0 0 "[ . 1 . ]" 1
419 1 22 CYS HB3 1 30 ASP H 3.300 . 4.200 3.083 3.016 3.123 . 0 0 "[ . 1 . ]" 1
420 1 22 CYS HB3 1 30 ASP HA 3.800 . 4.800 2.101 2.029 2.163 . 0 0 "[ . 1 . ]" 1
421 1 22 CYS HB3 1 30 ASP HB2 3.800 . 4.800 2.772 2.742 2.808 . 0 0 "[ . 1 . ]" 1
422 1 22 CYS HB3 1 30 ASP HB3 3.300 . 4.200 4.221 4.206 4.238 0.038 4 0 "[ . 1 . ]" 1
423 1 23 ASN H 1 23 ASN HA 2.500 . 3.000 2.821 2.815 2.826 . 0 0 "[ . 1 . ]" 1
424 1 23 ASN H 1 23 ASN HB2 2.500 . 3.000 2.168 2.150 2.185 . 0 0 "[ . 1 . ]" 1
425 1 23 ASN H 1 23 ASN HB3 2.500 . 3.000 2.660 2.638 2.678 . 0 0 "[ . 1 . ]" 1
426 1 23 ASN H 1 23 ASN HD21 3.300 . 4.200 4.419 4.378 4.436 0.236 13 0 "[ . 1 . ]" 1
427 1 23 ASN H 1 23 ASN HD22 4.500 . 5.500 5.569 5.543 5.583 0.083 13 0 "[ . 1 . ]" 1
428 1 23 ASN H 1 24 ASN HD22 3.800 . 4.800 3.475 3.399 3.516 . 0 0 "[ . 1 . ]" 1
429 1 23 ASN H 1 29 TRP H 4.500 . 5.500 5.588 5.562 5.603 0.103 2 0 "[ . 1 . ]" 1
430 1 23 ASN H 1 29 TRP HA 4.500 . 5.500 4.626 4.611 4.640 . 0 0 "[ . 1 . ]" 1
431 1 23 ASN H 1 29 TRP HZ3 4.500 . 5.500 5.763 5.709 5.777 0.277 9 0 "[ . 1 . ]" 1
432 1 23 ASN H 1 30 ASP HB3 3.300 . 4.200 3.928 3.875 3.970 . 0 0 "[ . 1 . ]" 1
433 1 23 ASN HA 1 23 ASN HD21 3.800 . 4.800 4.246 4.233 4.263 . 0 0 "[ . 1 . ]" 1
434 1 23 ASN HA 1 23 ASN HD22 3.800 . 4.800 4.466 4.454 4.484 . 0 0 "[ . 1 . ]" 1
435 1 23 ASN HA 1 29 TRP HA 3.300 . 4.200 2.105 2.079 2.135 . 0 0 "[ . 1 . ]" 1
436 1 23 ASN HA 1 29 TRP HE3 3.300 . 4.200 2.845 2.811 2.863 . 0 0 "[ . 1 . ]" 1
437 1 23 ASN HB2 1 23 ASN HD21 2.800 . 3.500 2.349 2.325 2.376 . 0 0 "[ . 1 . ]" 1
438 1 23 ASN HB2 1 23 ASN HD22 3.300 . 4.200 3.496 3.485 3.508 . 0 0 "[ . 1 . ]" 1
439 1 23 ASN HB2 1 24 ASN H 3.800 . 4.800 4.595 4.587 4.600 . 0 0 "[ . 1 . ]" 1
440 1 23 ASN HB2 1 24 ASN HD21 3.800 . 4.800 4.644 4.568 4.676 . 0 0 "[ . 1 . ]" 1
441 1 23 ASN HB2 1 29 TRP HA 4.500 . 5.500 4.611 4.573 4.650 . 0 0 "[ . 1 . ]" 1
442 1 23 ASN HB2 1 30 ASP H 4.500 . 5.500 4.818 4.745 4.864 . 0 0 "[ . 1 . ]" 1
443 1 23 ASN HB2 1 30 ASP HB2 3.300 . 4.200 2.777 2.709 2.825 . 0 0 "[ . 1 . ]" 1
444 1 23 ASN HB2 1 34 CYS HB3 4.500 . 5.500 3.738 3.695 3.764 . 0 0 "[ . 1 . ]" 1
445 1 23 ASN HB3 1 23 ASN HD21 2.500 . 3.000 2.553 2.527 2.571 . 0 0 "[ . 1 . ]" 1
446 1 23 ASN HB3 1 23 ASN HD22 2.800 . 3.500 3.589 3.580 3.597 0.097 10 0 "[ . 1 . ]" 1
447 1 23 ASN HB3 1 24 ASN H 3.300 . 4.200 4.264 4.253 4.272 0.072 13 0 "[ . 1 . ]" 1
448 1 23 ASN HB3 1 24 ASN HD21 4.500 . 5.500 3.909 3.809 3.945 . 0 0 "[ . 1 . ]" 1
449 1 23 ASN HB3 1 29 TRP HE3 4.500 . 5.500 3.705 3.650 3.769 . 0 0 "[ . 1 . ]" 1
450 1 23 ASN HB3 1 30 ASP H 4.500 . 5.500 5.460 5.385 5.509 0.009 16 0 "[ . 1 . ]" 1
451 1 23 ASN HD21 1 34 CYS HB3 3.300 . 4.200 1.954 1.935 1.966 . 0 0 "[ . 1 . ]" 1
452 1 23 ASN HD22 1 29 TRP HE3 3.800 . 4.800 4.582 4.524 4.658 . 0 0 "[ . 1 . ]" 1
453 1 23 ASN HD22 1 29 TRP HZ3 4.500 . 5.500 5.534 5.511 5.551 0.051 5 0 "[ . 1 . ]" 1
454 1 23 ASN HD22 1 33 ASP H 4.500 . 5.500 5.544 5.527 5.562 0.062 5 0 "[ . 1 . ]" 1
455 1 23 ASN HD22 1 34 CYS H 4.500 . 5.500 4.007 3.989 4.023 . 0 0 "[ . 1 . ]" 1
456 1 23 ASN HD22 1 34 CYS HB3 3.300 . 4.200 2.431 2.386 2.497 . 0 0 "[ . 1 . ]" 1
457 1 24 ASN H 1 24 ASN HA 2.800 . 3.500 2.931 2.928 2.933 . 0 0 "[ . 1 . ]" 1
458 1 24 ASN H 1 24 ASN HB2 3.300 . 4.200 3.536 3.534 3.538 . 0 0 "[ . 1 . ]" 1
459 1 24 ASN H 1 24 ASN HB3 3.300 . 4.200 3.596 3.590 3.623 . 0 0 "[ . 1 . ]" 1
460 1 24 ASN H 1 24 ASN HD22 3.800 . 4.800 3.053 3.046 3.092 . 0 0 "[ . 1 . ]" 1
461 1 24 ASN H 1 27 CYS HB2 3.300 . 4.200 2.863 2.780 2.907 . 0 0 "[ . 1 . ]" 1
462 1 24 ASN H 1 29 TRP HA 2.500 . 3.000 2.460 2.409 2.511 . 0 0 "[ . 1 . ]" 1
463 1 24 ASN H 1 29 TRP QB 3.800 . 5.300 4.559 4.514 4.602 . 0 0 "[ . 1 . ]" 1
464 1 24 ASN HA 1 24 ASN HB2 2.500 . 3.000 2.719 2.717 2.724 . 0 0 "[ . 1 . ]" 1
465 1 24 ASN HA 1 24 ASN HB3 2.500 . 3.000 2.226 2.220 2.228 . 0 0 "[ . 1 . ]" 1
466 1 24 ASN HA 1 24 ASN HD21 3.300 . 4.200 3.191 3.165 3.204 . 0 0 "[ . 1 . ]" 1
467 1 24 ASN HA 1 24 ASN HD22 3.800 . 4.800 4.627 4.613 4.636 . 0 0 "[ . 1 . ]" 1
468 1 24 ASN HA 1 25 HIS H 2.500 . 3.000 2.488 2.448 2.498 . 0 0 "[ . 1 . ]" 1
469 1 24 ASN HA 1 25 HIS HA 3.800 . 4.800 4.256 4.241 4.261 . 0 0 "[ . 1 . ]" 1
470 1 24 ASN HA 1 25 HIS HB2 3.800 . 4.800 4.405 4.346 4.414 . 0 0 "[ . 1 . ]" 1
471 1 24 ASN HA 1 25 HIS HB3 3.800 . 4.800 4.716 4.701 4.723 . 0 0 "[ . 1 . ]" 1
472 1 24 ASN HA 1 26 ALA H 3.800 . 4.800 4.271 4.239 4.291 . 0 0 "[ . 1 . ]" 1
473 1 24 ASN HA 1 26 ALA MB 4.500 . 6.000 5.596 5.539 5.640 . 0 0 "[ . 1 . ]" 1
474 1 24 ASN HA 1 29 TRP H 3.800 . 4.800 4.361 4.324 4.372 . 0 0 "[ . 1 . ]" 1
475 1 24 ASN HA 1 29 TRP HE1 4.500 . 5.500 5.758 5.693 5.766 0.266 2 0 "[ . 1 . ]" 1
476 1 24 ASN HA 1 29 TRP HE3 3.300 . 4.200 3.010 2.967 3.025 . 0 0 "[ . 1 . ]" 1
477 1 24 ASN HA 1 29 TRP HH2 3.800 . 4.800 3.257 3.211 3.273 . 0 0 "[ . 1 . ]" 1
478 1 24 ASN HA 1 29 TRP HZ3 2.500 . 3.000 2.238 2.197 2.250 . 0 0 "[ . 1 . ]" 1
479 1 24 ASN HB2 1 24 ASN HD21 2.800 . 3.500 3.550 3.547 3.553 0.053 6 0 "[ . 1 . ]" 1
480 1 24 ASN HB2 1 24 ASN HD22 3.800 . 4.800 4.090 4.088 4.091 . 0 0 "[ . 1 . ]" 1
481 1 24 ASN HB2 1 25 HIS H 2.500 . 3.000 2.012 1.995 2.049 . 0 0 "[ . 1 . ]" 1
482 1 24 ASN HB2 1 25 HIS HB3 4.500 . 5.500 3.915 3.898 3.927 . 0 0 "[ . 1 . ]" 1
483 1 24 ASN HB2 1 26 ALA H 3.300 . 4.200 2.116 2.094 2.143 . 0 0 "[ . 1 . ]" 1
484 1 24 ASN HB2 1 26 ALA MB 4.500 . 6.000 3.307 3.241 3.389 . 0 0 "[ . 1 . ]" 1
485 1 24 ASN HB2 1 27 CYS H 3.800 . 4.800 2.854 2.819 2.875 . 0 0 "[ . 1 . ]" 1
486 1 24 ASN HB2 1 29 TRP HE3 4.500 . 5.500 5.369 5.328 5.385 . 0 0 "[ . 1 . ]" 1
487 1 24 ASN HB2 1 29 TRP HZ3 3.800 . 4.800 4.909 4.879 4.921 0.121 4 0 "[ . 1 . ]" 1
488 1 24 ASN HB3 1 24 ASN HD21 2.500 . 3.000 2.589 2.583 2.603 . 0 0 "[ . 1 . ]" 1
489 1 24 ASN HB3 1 24 ASN HD22 3.300 . 4.200 3.635 3.631 3.642 . 0 0 "[ . 1 . ]" 1
490 1 24 ASN HB3 1 25 HIS H 2.500 . 3.000 2.865 2.833 2.871 . 0 0 "[ . 1 . ]" 1
491 1 24 ASN HB3 1 25 HIS HB3 3.800 . 4.800 4.954 4.907 4.962 0.162 4 0 "[ . 1 . ]" 1
492 1 24 ASN HB3 1 26 ALA H 3.800 . 4.800 3.797 3.753 3.821 . 0 0 "[ . 1 . ]" 1
493 1 24 ASN HB3 1 26 ALA MB 4.500 . 6.000 4.568 4.508 4.637 . 0 0 "[ . 1 . ]" 1
494 1 24 ASN HB3 1 27 CYS H 3.800 . 4.800 4.396 4.382 4.414 . 0 0 "[ . 1 . ]" 1
495 1 24 ASN HB3 1 28 GLY H 4.500 . 5.500 5.670 5.637 5.679 0.179 9 0 "[ . 1 . ]" 1
496 1 24 ASN HB3 1 29 TRP H 4.500 . 5.500 5.406 5.377 5.432 . 0 0 "[ . 1 . ]" 1
497 1 24 ASN HB3 1 29 TRP HZ3 3.800 . 4.800 4.153 4.085 4.168 . 0 0 "[ . 1 . ]" 1
498 1 24 ASN HD21 1 25 HIS H 4.500 . 5.500 4.895 4.873 4.903 . 0 0 "[ . 1 . ]" 1
499 1 24 ASN HD21 1 26 ALA MB 4.500 . 6.000 5.956 5.923 6.006 0.006 1 0 "[ . 1 . ]" 1
500 1 24 ASN HD21 1 27 CYS HB2 3.800 . 4.800 3.790 3.727 3.835 . 0 0 "[ . 1 . ]" 1
501 1 24 ASN HD21 1 27 CYS HB3 4.500 . 5.500 5.113 5.033 5.180 . 0 0 "[ . 1 . ]" 1
502 1 24 ASN HD22 1 26 ALA MB 4.500 . 6.000 5.711 5.645 5.819 . 0 0 "[ . 1 . ]" 1
503 1 24 ASN HD22 1 27 CYS H 3.800 . 4.800 4.737 4.692 4.803 0.003 1 0 "[ . 1 . ]" 1
504 1 24 ASN HD22 1 27 CYS HB2 3.800 . 4.800 2.974 2.915 3.002 . 0 0 "[ . 1 . ]" 1
505 1 24 ASN HD22 1 27 CYS HB3 3.800 . 4.800 4.015 3.945 4.065 . 0 0 "[ . 1 . ]" 1
506 1 25 HIS H 1 25 HIS HB2 2.800 . 3.500 2.652 2.594 2.660 . 0 0 "[ . 1 . ]" 1
507 1 25 HIS H 1 25 HIS HB3 2.800 . 3.500 2.324 2.320 2.332 . 0 0 "[ . 1 . ]" 1
508 1 25 HIS H 1 25 HIS HD2 4.500 . 5.500 4.913 4.893 4.919 . 0 0 "[ . 1 . ]" 1
509 1 25 HIS H 1 26 ALA H 3.300 . 4.200 2.291 2.285 2.303 . 0 0 "[ . 1 . ]" 1
510 1 25 HIS H 1 26 ALA HA 4.500 . 5.500 4.968 4.961 4.980 . 0 0 "[ . 1 . ]" 1
511 1 25 HIS H 1 26 ALA MB 3.800 . 5.300 4.021 3.946 4.052 . 0 0 "[ . 1 . ]" 1
512 1 25 HIS H 1 27 CYS H 4.500 . 5.500 3.810 3.794 3.822 . 0 0 "[ . 1 . ]" 1
513 1 25 HIS H 1 29 TRP HE1 4.500 . 5.500 4.944 4.874 4.956 . 0 0 "[ . 1 . ]" 1
514 1 25 HIS H 1 29 TRP HE3 4.500 . 5.500 4.847 4.788 4.864 . 0 0 "[ . 1 . ]" 1
515 1 25 HIS H 1 29 TRP HH2 3.800 . 4.800 3.503 3.433 3.520 . 0 0 "[ . 1 . ]" 1
516 1 25 HIS H 1 29 TRP HZ2 3.300 . 4.200 3.689 3.619 3.707 . 0 0 "[ . 1 . ]" 1
517 1 25 HIS H 1 29 TRP HZ3 3.800 . 4.800 4.135 4.076 4.152 . 0 0 "[ . 1 . ]" 1
518 1 25 HIS HA 1 25 HIS HB2 2.800 . 3.500 2.418 2.415 2.426 . 0 0 "[ . 1 . ]" 1
519 1 25 HIS HA 1 25 HIS HB3 2.500 . 3.000 3.017 3.016 3.018 0.018 9 0 "[ . 1 . ]" 1
520 1 25 HIS HA 1 27 CYS H 4.500 . 6.000 3.952 3.920 3.975 . 0 0 "[ . 1 . ]" 1
521 1 25 HIS HA 1 25 HIS HD2 3.800 . 4.800 2.474 2.452 2.480 . 0 0 "[ . 1 . ]" 1
522 1 25 HIS HA 1 26 ALA H 3.800 . 4.800 3.475 3.472 3.480 . 0 0 "[ . 1 . ]" 1
523 1 25 HIS HA 1 26 ALA HA 4.500 . 5.500 4.649 4.643 4.654 . 0 0 "[ . 1 . ]" 1
524 1 25 HIS HA 1 26 ALA MB 3.800 . 5.300 4.956 4.937 4.962 . 0 0 "[ . 1 . ]" 1
525 1 25 HIS HA 1 27 CYS H 3.800 . 4.800 4.141 4.102 4.168 . 0 0 "[ . 1 . ]" 1
526 1 25 HIS HA 1 28 GLY H 3.300 . 4.200 3.812 3.791 3.842 . 0 0 "[ . 1 . ]" 1
527 1 25 HIS HA 1 28 GLY QA 4.500 . 6.000 4.558 4.521 4.617 . 0 0 "[ . 1 . ]" 1
528 1 25 HIS HA 1 29 TRP H 3.300 . 4.200 4.125 4.110 4.157 . 0 0 "[ . 1 . ]" 1
529 1 25 HIS HA 1 29 TRP HD1 3.800 . 4.800 3.690 3.656 3.702 . 0 0 "[ . 1 . ]" 1
530 1 25 HIS HA 1 29 TRP HE1 2.800 . 3.500 2.494 2.451 2.504 . 0 0 "[ . 1 . ]" 1
531 1 25 HIS HA 1 29 TRP HE3 4.500 . 5.500 4.903 4.899 4.906 . 0 0 "[ . 1 . ]" 1
532 1 25 HIS HA 1 29 TRP HH2 4.500 . 5.500 4.531 4.525 4.538 . 0 0 "[ . 1 . ]" 1
533 1 25 HIS HA 1 29 TRP HZ2 3.300 . 4.200 3.070 3.052 3.074 . 0 0 "[ . 1 . ]" 1
534 1 25 HIS HB2 1 25 HIS HD2 3.800 . 4.800 3.491 3.486 3.512 . 0 0 "[ . 1 . ]" 1
535 1 25 HIS HB2 1 26 ALA H 3.300 . 4.200 4.017 3.973 4.026 . 0 0 "[ . 1 . ]" 1
536 1 25 HIS HB2 1 26 ALA MB 3.800 . 5.300 5.210 5.160 5.229 . 0 0 "[ . 1 . ]" 1
537 1 25 HIS HB2 1 29 TRP HD1 4.500 . 5.500 5.518 5.513 5.523 0.023 13 0 "[ . 1 . ]" 1
538 1 25 HIS HB2 1 29 TRP HE1 3.300 . 4.200 3.339 3.332 3.347 . 0 0 "[ . 1 . ]" 1
539 1 25 HIS HB2 1 29 TRP HE3 4.500 . 5.500 5.693 5.670 5.704 0.204 6 0 "[ . 1 . ]" 1
540 1 25 HIS HB2 1 29 TRP HH2 3.800 . 4.800 3.210 3.180 3.230 . 0 0 "[ . 1 . ]" 1
541 1 25 HIS HB2 1 29 TRP HZ2 2.500 . 3.000 1.774 1.764 1.781 0.036 1 0 "[ . 1 . ]" 1
542 1 25 HIS HB2 1 29 TRP HZ3 4.500 . 5.500 4.983 4.960 5.002 . 0 0 "[ . 1 . ]" 1
543 1 25 HIS HB3 1 25 HIS HD2 3.300 . 4.200 3.831 3.813 3.836 . 0 0 "[ . 1 . ]" 1
544 1 25 HIS HB3 1 26 ALA H 2.800 . 3.500 2.839 2.799 2.850 . 0 0 "[ . 1 . ]" 1
545 1 25 HIS HB3 1 26 ALA HA 4.500 . 5.500 4.434 4.405 4.445 . 0 0 "[ . 1 . ]" 1
546 1 25 HIS HB3 1 26 ALA MB 3.800 . 5.300 3.837 3.788 3.875 . 0 0 "[ . 1 . ]" 1
547 1 25 HIS HB3 1 29 TRP HE1 4.500 . 5.500 4.726 4.699 4.737 . 0 0 "[ . 1 . ]" 1
548 1 25 HIS HB3 1 29 TRP HH2 3.800 . 4.800 4.337 4.324 4.353 . 0 0 "[ . 1 . ]" 1
549 1 25 HIS HB3 1 29 TRP HZ2 3.300 . 4.200 3.516 3.513 3.521 . 0 0 "[ . 1 . ]" 1
550 1 25 HIS HD2 1 26 ALA H 3.800 . 4.800 4.808 4.795 4.813 0.013 14 0 "[ . 1 . ]" 1
551 1 25 HIS HD2 1 26 ALA HA 3.800 . 4.800 4.559 4.550 4.574 . 0 0 "[ . 1 . ]" 1
552 1 25 HIS HD2 1 26 ALA MB 3.800 . 5.300 5.372 5.364 5.379 0.079 10 0 "[ . 1 . ]" 1
553 1 25 HIS HD2 1 29 TRP QB 4.500 . 6.000 6.017 6.004 6.025 0.025 13 0 "[ . 1 . ]" 1
554 1 25 HIS HD2 1 29 TRP HE1 3.800 . 4.800 2.860 2.845 2.870 . 0 0 "[ . 1 . ]" 1
555 1 25 HIS HD2 1 29 TRP HZ2 3.300 . 4.200 4.277 4.268 4.284 0.084 5 0 "[ . 1 . ]" 1
556 1 26 ALA H 1 26 ALA HA 2.500 . 3.000 2.899 2.898 2.900 . 0 0 "[ . 1 . ]" 1
557 1 26 ALA H 1 26 ALA MB 2.500 . 3.500 2.243 2.114 2.297 . 0 0 "[ . 1 . ]" 1
558 1 26 ALA H 1 27 CYS H 2.500 . 3.000 2.426 2.420 2.443 . 0 0 "[ . 1 . ]" 1
559 1 26 ALA H 1 28 GLY H 3.800 . 4.800 3.942 3.922 3.967 . 0 0 "[ . 1 . ]" 1
560 1 26 ALA HA 1 27 CYS H 3.300 . 4.200 3.451 3.438 3.461 . 0 0 "[ . 1 . ]" 1
561 1 26 ALA MB 1 27 CYS H 2.500 . 3.500 3.136 3.105 3.228 . 0 0 "[ . 1 . ]" 1
562 1 26 ALA MB 1 27 CYS HB2 3.800 . 5.300 4.435 4.403 4.490 . 0 0 "[ . 1 . ]" 1
563 1 26 ALA MB 1 27 CYS HB3 4.500 . 6.000 5.440 5.417 5.462 . 0 0 "[ . 1 . ]" 1
564 1 26 ALA MB 1 28 GLY H 3.800 . 5.300 4.697 4.674 4.736 . 0 0 "[ . 1 . ]" 1
565 1 27 CYS H 1 27 CYS HA 2.500 . 3.000 2.939 2.937 2.944 . 0 0 "[ . 1 . ]" 1
566 1 27 CYS H 1 27 CYS HB2 2.500 . 3.000 2.323 2.315 2.337 . 0 0 "[ . 1 . ]" 1
567 1 27 CYS H 1 27 CYS HB3 2.800 . 3.500 3.550 3.539 3.563 0.063 10 0 "[ . 1 . ]" 1
568 1 27 CYS H 1 28 GLY H 2.800 . 3.500 2.061 2.021 2.074 . 0 0 "[ . 1 . ]" 1
569 1 27 CYS H 1 28 GLY QA 3.800 . 5.300 4.110 4.077 4.122 . 0 0 "[ . 1 . ]" 1
570 1 27 CYS H 1 29 TRP H 2.800 . 3.500 3.290 3.250 3.302 . 0 0 "[ . 1 . ]" 1
571 1 27 CYS H 1 29 TRP HA 3.800 . 4.800 5.038 4.989 5.048 0.248 8 0 "[ . 1 . ]" 1
572 1 27 CYS HA 1 27 CYS HB2 2.500 . 3.000 2.977 2.974 2.981 . 0 0 "[ . 1 . ]" 1
573 1 27 CYS HA 1 27 CYS HB3 2.800 . 3.500 2.656 2.646 2.667 . 0 0 "[ . 1 . ]" 1
574 1 27 CYS HA 1 28 GLY H 2.800 . 3.500 3.470 3.466 3.475 . 0 0 "[ . 1 . ]" 1
575 1 27 CYS HB2 1 28 GLY H 3.300 . 4.200 3.080 3.047 3.088 . 0 0 "[ . 1 . ]" 1
576 1 27 CYS HB2 1 29 TRP H 3.300 . 4.200 3.355 3.324 3.371 . 0 0 "[ . 1 . ]" 1
577 1 27 CYS HB3 1 28 GLY H 3.800 . 4.800 3.602 3.550 3.631 . 0 0 "[ . 1 . ]" 1
578 1 27 CYS HB3 1 29 TRP H 4.500 . 5.500 3.887 3.818 3.943 . 0 0 "[ . 1 . ]" 1
579 1 28 GLY H 1 29 TRP H 2.500 . 3.000 1.883 1.861 1.898 . 0 0 "[ . 1 . ]" 1
580 1 28 GLY H 1 29 TRP HA 3.800 . 4.800 4.022 3.995 4.035 . 0 0 "[ . 1 . ]" 1
581 1 28 GLY H 1 29 TRP HD1 3.800 . 4.800 4.894 4.882 4.898 0.098 16 0 "[ . 1 . ]" 1
582 1 28 GLY QA 1 29 TRP H 2.800 . 4.000 2.930 2.925 2.933 . 0 0 "[ . 1 . ]" 1
583 1 28 GLY QA 1 29 TRP HD1 3.300 . 4.700 3.901 3.872 3.945 . 0 0 "[ . 1 . ]" 1
584 1 28 GLY QA 1 31 GLY H 3.800 . 5.300 3.609 3.570 3.656 . 0 0 "[ . 1 . ]" 1
585 1 29 TRP H 1 29 TRP HA 2.500 . 3.000 2.216 2.208 2.220 . 0 0 "[ . 1 . ]" 1
586 1 29 TRP H 1 29 TRP QB 2.800 . 4.000 3.321 3.310 3.329 . 0 0 "[ . 1 . ]" 1
587 1 29 TRP H 1 29 TRP HD1 3.800 . 4.800 4.437 4.430 4.445 . 0 0 "[ . 1 . ]" 1
588 1 29 TRP H 1 29 TRP HE1 4.500 . 5.500 5.509 5.499 5.516 0.016 1 0 "[ . 1 . ]" 1
589 1 29 TRP H 1 29 TRP HE3 3.800 . 4.800 3.998 3.958 4.006 . 0 0 "[ . 1 . ]" 1
590 1 29 TRP H 1 29 TRP HZ3 4.500 . 5.500 5.669 5.631 5.677 0.177 13 0 "[ . 1 . ]" 1
591 1 29 TRP H 1 30 ASP H 3.300 . 4.200 2.539 2.525 2.564 . 0 0 "[ . 1 . ]" 1
592 1 29 TRP H 1 30 ASP HA 3.800 . 4.800 4.754 4.739 4.780 . 0 0 "[ . 1 . ]" 1
593 1 29 TRP H 1 30 ASP HB3 4.500 . 5.500 5.565 5.526 5.589 0.089 13 0 "[ . 1 . ]" 1
594 1 29 TRP H 1 31 GLY H 4.500 . 5.500 4.109 4.065 4.156 . 0 0 "[ . 1 . ]" 1
595 1 29 TRP HA 1 29 TRP QB 2.500 . 3.500 2.409 2.407 2.412 . 0 0 "[ . 1 . ]" 1
596 1 29 TRP HA 1 29 TRP HD1 3.800 . 4.800 4.515 4.508 4.521 . 0 0 "[ . 1 . ]" 1
597 1 29 TRP HA 1 29 TRP HE3 2.500 . 3.000 2.036 1.993 2.055 . 0 0 "[ . 1 . ]" 1
598 1 29 TRP HA 1 29 TRP HZ3 3.800 . 4.800 4.191 4.148 4.212 . 0 0 "[ . 1 . ]" 1
599 1 29 TRP HA 1 30 ASP H 2.500 . 3.000 2.741 2.709 2.767 . 0 0 "[ . 1 . ]" 1
600 1 29 TRP HA 1 31 GLY H 3.800 . 4.800 4.281 4.233 4.310 . 0 0 "[ . 1 . ]" 1
601 1 29 TRP QB 1 29 TRP HD1 2.500 . 3.500 2.522 2.519 2.524 . 0 0 "[ . 1 . ]" 1
602 1 29 TRP QB 1 29 TRP HE3 2.500 . 3.500 2.816 2.812 2.822 . 0 0 "[ . 1 . ]" 1
603 1 29 TRP QB 1 29 TRP HH2 4.500 . 6.000 6.013 6.002 6.016 0.016 6 0 "[ . 1 . ]" 1
604 1 29 TRP QB 1 29 TRP HZ3 3.800 . 5.300 4.944 4.938 4.949 . 0 0 "[ . 1 . ]" 1
605 1 29 TRP QB 1 30 ASP H 3.300 . 4.700 3.881 3.869 3.894 . 0 0 "[ . 1 . ]" 1
606 1 29 TRP QB 1 31 GLY H 3.800 . 5.300 3.479 3.431 3.550 . 0 0 "[ . 1 . ]" 1
607 1 29 TRP QB 1 32 GLY H 3.300 . 4.700 3.610 3.436 3.814 . 0 0 "[ . 1 . ]" 1
608 1 29 TRP HE3 1 30 ASP H 4.500 . 5.500 4.622 4.596 4.645 . 0 0 "[ . 1 . ]" 1
609 1 29 TRP HH2 1 29 TRP HZ3 2.500 . 3.000 2.460 2.457 2.464 . 0 0 "[ . 1 . ]" 1
610 1 30 ASP H 1 30 ASP HA 2.500 . 3.000 2.276 2.273 2.280 . 0 0 "[ . 1 . ]" 1
611 1 30 ASP H 1 30 ASP HB2 3.300 . 4.200 2.972 2.930 3.025 . 0 0 "[ . 1 . ]" 1
612 1 30 ASP H 1 30 ASP HB3 3.300 . 4.200 3.465 3.423 3.486 . 0 0 "[ . 1 . ]" 1
613 1 30 ASP H 1 31 GLY H 2.800 . 3.500 2.834 2.823 2.856 . 0 0 "[ . 1 . ]" 1
614 1 30 ASP HA 1 31 GLY H 3.300 . 4.200 2.964 2.922 3.015 . 0 0 "[ . 1 . ]" 1
615 1 30 ASP HA 1 32 GLY H 4.500 . 5.500 4.195 4.139 4.236 . 0 0 "[ . 1 . ]" 1
616 1 30 ASP HB2 1 31 GLY H 3.800 . 4.800 4.575 4.564 4.597 . 0 0 "[ . 1 . ]" 1
617 1 30 ASP HB2 1 32 GLY H 4.500 . 5.500 4.576 4.505 4.645 . 0 0 "[ . 1 . ]" 1
618 1 30 ASP HB2 1 34 CYS H 3.300 . 4.200 4.257 4.225 4.296 0.096 12 0 "[ . 1 . ]" 1
619 1 30 ASP HB2 1 35 SER H 4.500 . 5.500 5.590 5.573 5.601 0.101 16 0 "[ . 1 . ]" 1
620 1 30 ASP HB3 1 31 GLY H 3.800 . 4.800 4.068 4.028 4.100 . 0 0 "[ . 1 . ]" 1
621 1 30 ASP HB3 1 32 GLY H 4.500 . 5.500 3.115 3.022 3.212 . 0 0 "[ . 1 . ]" 1
622 1 30 ASP HB3 1 34 CYS H 3.800 . 4.800 2.859 2.791 2.966 . 0 0 "[ . 1 . ]" 1
623 1 31 GLY H 1 32 GLY H 3.300 . 4.200 2.833 2.784 2.882 . 0 0 "[ . 1 . ]" 1
624 1 31 GLY H 1 32 GLY QA 4.500 . 6.000 4.552 4.502 4.588 . 0 0 "[ . 1 . ]" 1
625 1 31 GLY QA 1 32 GLY H 3.300 . 4.700 2.938 2.926 2.947 . 0 0 "[ . 1 . ]" 1
626 1 31 GLY QA 1 33 ASP H 3.800 . 5.300 3.980 3.935 4.024 . 0 0 "[ . 1 . ]" 1
627 1 32 GLY H 1 32 GLY QA 2.500 . 3.500 2.272 2.252 2.298 . 0 0 "[ . 1 . ]" 1
628 1 32 GLY H 1 33 ASP H 2.500 . 3.000 2.147 2.072 2.216 . 0 0 "[ . 1 . ]" 1
629 1 32 GLY H 1 33 ASP HB3 4.500 . 5.500 5.593 5.550 5.623 0.123 10 0 "[ . 1 . ]" 1
630 1 32 GLY H 1 34 CYS H 3.800 . 4.800 3.986 3.858 4.081 . 0 0 "[ . 1 . ]" 1
631 1 32 GLY QA 1 33 ASP H 3.800 . 5.300 2.770 2.748 2.800 . 0 0 "[ . 1 . ]" 1
632 1 32 GLY QA 1 34 CYS H 4.500 . 6.000 3.950 3.917 3.990 . 0 0 "[ . 1 . ]" 1
633 1 32 GLY QA 1 35 SER H 3.800 . 5.300 3.757 3.725 3.783 . 0 0 "[ . 1 . ]" 1
634 1 33 ASP H 1 33 ASP HA 2.500 . 3.000 2.897 2.890 2.902 . 0 0 "[ . 1 . ]" 1
635 1 33 ASP H 1 33 ASP HB2 2.500 . 3.000 2.452 2.195 2.833 . 0 0 "[ . 1 . ]" 1
636 1 33 ASP H 1 33 ASP HB3 2.800 . 3.500 3.554 3.490 3.621 0.121 6 0 "[ . 1 . ]" 1
637 1 33 ASP H 1 34 CYS H 2.800 . 3.500 2.363 2.321 2.397 . 0 0 "[ . 1 . ]" 1
638 1 33 ASP HA 1 33 ASP HB2 2.800 . 3.500 2.994 2.985 3.020 . 0 0 "[ . 1 . ]" 1
639 1 33 ASP HA 1 33 ASP HB3 2.800 . 3.500 2.482 2.297 2.623 . 0 0 "[ . 1 . ]" 1
640 1 33 ASP HA 1 34 CYS H 3.300 . 4.200 3.550 3.546 3.553 . 0 0 "[ . 1 . ]" 1
641 1 33 ASP HB2 1 34 CYS H 2.500 . 3.700 2.491 2.374 2.546 . 0 0 "[ . 1 . ]" 1
642 1 33 ASP HB3 1 34 CYS H 3.800 . 4.800 3.515 3.196 3.940 . 0 0 "[ . 1 . ]" 1
643 1 34 CYS H 1 34 CYS HA 2.800 . 3.500 2.878 2.873 2.881 . 0 0 "[ . 1 . ]" 1
644 1 34 CYS H 1 34 CYS HB2 2.500 . 3.000 2.156 2.150 2.162 . 0 0 "[ . 1 . ]" 1
645 1 34 CYS H 1 34 CYS HB3 2.800 . 3.500 3.425 3.418 3.430 . 0 0 "[ . 1 . ]" 1
646 1 34 CYS H 1 35 SER H 2.500 . 3.000 2.652 2.631 2.670 . 0 0 "[ . 1 . ]" 1
647 1 34 CYS H 1 35 SER HA 3.800 . 4.800 4.809 4.803 4.816 0.016 4 0 "[ . 1 . ]" 1
648 1 34 CYS H 1 35 SER QB 3.800 . 5.300 4.915 4.289 5.296 . 0 0 "[ . 1 . ]" 1
649 1 34 CYS HA 1 35 SER H 3.300 . 4.200 3.564 3.561 3.566 . 0 0 "[ . 1 . ]" 1
650 1 34 CYS HB3 1 35 SER H 3.800 . 4.800 2.601 2.580 2.622 . 0 0 "[ . 1 . ]" 1
651 1 35 SER H 1 35 SER HA 2.800 . 3.500 2.640 2.274 2.816 . 0 0 "[ . 1 . ]" 1
652 1 35 SER H 1 35 SER QB 2.500 . 3.500 3.070 2.949 3.429 . 0 0 "[ . 1 . ]" 1
653 1 35 SER HA 1 35 SER QB 2.500 . 3.500 2.368 2.182 2.510 . 0 0 "[ . 1 . ]" 1
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