NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
373573 |
1dw4   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1dw4
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 270
_Distance_constraint_stats_list.Viol_count 925
_Distance_constraint_stats_list.Viol_total 2515.561
_Distance_constraint_stats_list.Viol_max 0.414
_Distance_constraint_stats_list.Viol_rms 0.0368
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0091
_Distance_constraint_stats_list.Viol_average_violations_only 0.0850
_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 CYS 5.266 0.161 17 0 "[ . 1 . 2 . 3 ]"
1 2 LYS 7.287 0.161 17 0 "[ . 1 . 2 . 3 ]"
1 3 GLY 1.257 0.108 5 0 "[ . 1 . 2 . 3 ]"
1 4 LYS 13.425 0.285 13 0 "[ . 1 . 2 . 3 ]"
1 5 GLY 8.393 0.226 25 0 "[ . 1 . 2 . 3 ]"
1 6 ALA 2.658 0.170 32 0 "[ . 1 . 2 . 3 ]"
1 7 LYS 14.152 0.297 28 0 "[ . 1 . 2 . 3 ]"
1 8 CYS 12.813 0.286 31 0 "[ . 1 . 2 . 3 ]"
1 9 SER 5.899 0.239 5 0 "[ . 1 . 2 . 3 ]"
1 10 ARG 7.445 0.239 5 0 "[ . 1 . 2 . 3 ]"
1 11 LEU 0.990 0.134 25 0 "[ . 1 . 2 . 3 ]"
1 12 MET 0.111 0.041 8 0 "[ . 1 . 2 . 3 ]"
1 13 TYR 0.283 0.166 11 0 "[ . 1 . 2 . 3 ]"
1 14 ASP 0.927 0.166 11 0 "[ . 1 . 2 . 3 ]"
1 15 CYS 14.715 0.414 5 0 "[ . 1 . 2 . 3 ]"
1 16 CYS 16.098 0.414 5 0 "[ . 1 . 2 . 3 ]"
1 17 THR 1.049 0.229 15 0 "[ . 1 . 2 . 3 ]"
1 18 GLY 1.014 0.229 15 0 "[ . 1 . 2 . 3 ]"
1 19 SER 0.065 0.034 10 0 "[ . 1 . 2 . 3 ]"
1 20 CYS 4.693 0.286 31 0 "[ . 1 . 2 . 3 ]"
1 21 ARG 3.617 0.243 12 0 "[ . 1 . 2 . 3 ]"
1 22 SER 2.367 0.243 12 0 "[ . 1 . 2 . 3 ]"
1 23 GLY 1.206 0.224 17 0 "[ . 1 . 2 . 3 ]"
1 24 LYS 5.805 0.251 32 0 "[ . 1 . 2 . 3 ]"
1 25 CYS 6.750 0.251 32 0 "[ . 1 . 2 . 3 ]"
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 CYS HA 1 1 CYS HB2 3.000 . 3.000 2.380 2.348 2.401 . 0 0 "[ . 1 . 2 . 3 ]" 1
2 1 1 CYS HA 1 2 LYS H 3.000 . 3.000 2.511 2.337 2.664 . 0 0 "[ . 1 . 2 . 3 ]" 1
3 1 1 CYS HA 1 14 ASP QB 3.700 . 4.700 3.972 3.447 4.284 . 0 0 "[ . 1 . 2 . 3 ]" 1
4 1 1 CYS HA 1 16 CYS H 4.700 . 4.700 4.747 4.631 4.820 0.120 17 0 "[ . 1 . 2 . 3 ]" 1
5 1 1 CYS HB2 1 2 LYS H 3.300 . 3.300 2.433 2.280 2.712 . 0 0 "[ . 1 . 2 . 3 ]" 1
6 1 1 CYS HB2 1 2 LYS HA 4.700 . 4.700 4.791 4.729 4.861 0.161 17 0 "[ . 1 . 2 . 3 ]" 1
7 1 1 CYS HB3 1 2 LYS H 4.000 . 4.000 3.859 3.738 4.018 0.018 17 0 "[ . 1 . 2 . 3 ]" 1
8 1 1 CYS HB3 1 16 CYS HA 3.300 . 3.300 3.305 3.211 3.378 0.078 25 0 "[ . 1 . 2 . 3 ]" 1
9 1 2 LYS H 1 2 LYS HB2 3.300 . 3.300 2.495 2.287 2.726 . 0 0 "[ . 1 . 2 . 3 ]" 1
10 1 2 LYS H 1 2 LYS HB3 3.700 . 3.700 3.690 3.575 3.774 0.074 5 0 "[ . 1 . 2 . 3 ]" 1
11 1 2 LYS H 1 2 LYS QD 4.700 . 5.700 4.196 2.114 4.999 . 0 0 "[ . 1 . 2 . 3 ]" 1
12 1 2 LYS H 1 2 LYS HG2 4.000 . 4.000 3.247 2.414 4.085 0.085 4 0 "[ . 1 . 2 . 3 ]" 1
13 1 2 LYS H 1 2 LYS HG3 3.700 . 4.000 4.013 3.518 4.096 0.096 25 0 "[ . 1 . 2 . 3 ]" 1
14 1 2 LYS H 1 3 GLY H 4.700 . 4.700 4.484 4.067 4.598 . 0 0 "[ . 1 . 2 . 3 ]" 1
15 1 2 LYS H 1 14 ASP HA 4.700 . 4.700 4.073 3.607 4.630 . 0 0 "[ . 1 . 2 . 3 ]" 1
16 1 2 LYS H 1 14 ASP QB 4.700 . 5.700 3.545 2.973 4.295 . 0 0 "[ . 1 . 2 . 3 ]" 1
17 1 2 LYS H 1 15 CYS HA 3.700 . 3.700 2.966 2.582 3.553 . 0 0 "[ . 1 . 2 . 3 ]" 1
18 1 2 LYS H 1 16 CYS H 4.000 . 4.000 2.621 2.329 3.130 . 0 0 "[ . 1 . 2 . 3 ]" 1
19 1 2 LYS H 1 16 CYS HA 4.700 . 4.700 3.745 3.179 4.152 . 0 0 "[ . 1 . 2 . 3 ]" 1
20 1 2 LYS HA 1 2 LYS HD2 3.300 . 3.700 3.172 1.840 3.797 0.097 25 0 "[ . 1 . 2 . 3 ]" 1
21 1 2 LYS HA 1 2 LYS HD3 3.700 . 3.700 2.705 1.808 3.674 . 0 0 "[ . 1 . 2 . 3 ]" 1
22 1 2 LYS HA 1 2 LYS QE 4.000 . 5.000 3.822 2.467 4.552 . 0 0 "[ . 1 . 2 . 3 ]" 1
23 1 2 LYS HA 1 2 LYS HG2 3.700 . 3.700 2.642 1.979 3.650 . 0 0 "[ . 1 . 2 . 3 ]" 1
24 1 2 LYS HA 1 2 LYS HG3 3.700 . 3.700 3.504 2.373 3.769 0.069 5 0 "[ . 1 . 2 . 3 ]" 1
25 1 2 LYS HA 1 3 GLY H 3.000 . 3.000 2.528 2.399 3.077 0.077 2 0 "[ . 1 . 2 . 3 ]" 1
26 1 2 LYS HA 1 6 ALA MB 4.000 . 5.000 3.802 3.319 4.152 . 0 0 "[ . 1 . 2 . 3 ]" 1
27 1 2 LYS HA 1 16 CYS H 4.700 . 4.700 4.302 4.140 4.492 . 0 0 "[ . 1 . 2 . 3 ]" 1
28 1 2 LYS HB2 1 3 GLY H 4.000 . 4.000 3.574 2.388 3.913 . 0 0 "[ . 1 . 2 . 3 ]" 1
29 1 2 LYS HB2 1 15 CYS HA 3.300 . 3.300 2.644 1.936 3.267 . 0 0 "[ . 1 . 2 . 3 ]" 1
30 1 2 LYS HB2 1 16 CYS H 4.000 . 4.000 3.716 3.147 3.944 . 0 0 "[ . 1 . 2 . 3 ]" 1
31 1 2 LYS HB3 1 3 GLY H 3.700 . 3.700 2.299 1.834 2.608 . 0 0 "[ . 1 . 2 . 3 ]" 1
32 1 2 LYS HB3 1 15 CYS HA 3.700 . 3.700 3.678 3.418 3.789 0.089 5 0 "[ . 1 . 2 . 3 ]" 1
33 1 2 LYS HB3 1 16 CYS H 4.700 . 4.700 4.515 4.345 4.733 0.033 5 0 "[ . 1 . 2 . 3 ]" 1
34 1 2 LYS HE2 1 2 LYS HG2 3.700 . 4.700 3.133 2.076 4.032 . 0 0 "[ . 1 . 2 . 3 ]" 1
35 1 2 LYS HE2 1 2 LYS HG3 3.700 . 4.700 3.027 1.948 4.120 . 0 0 "[ . 1 . 2 . 3 ]" 1
36 1 2 LYS HG2 1 3 GLY H 4.700 . 4.700 4.425 3.651 4.808 0.108 5 0 "[ . 1 . 2 . 3 ]" 1
37 1 2 LYS HG3 1 3 GLY H 4.700 . 4.700 4.597 3.651 4.781 0.081 11 0 "[ . 1 . 2 . 3 ]" 1
38 1 3 GLY H 1 3 GLY HA3 3.000 . 3.000 2.516 2.429 2.835 . 0 0 "[ . 1 . 2 . 3 ]" 1
39 1 3 GLY H 1 4 LYS H 4.700 . 4.700 4.522 4.351 4.598 . 0 0 "[ . 1 . 2 . 3 ]" 1
40 1 3 GLY H 1 6 ALA MB 3.700 . 4.700 2.459 2.058 3.038 . 0 0 "[ . 1 . 2 . 3 ]" 1
41 1 3 GLY H 1 16 CYS H 4.700 . 4.700 4.483 3.598 4.744 0.044 22 0 "[ . 1 . 2 . 3 ]" 1
42 1 3 GLY HA2 1 4 LYS H 3.300 . 3.300 2.510 2.312 2.739 . 0 0 "[ . 1 . 2 . 3 ]" 1
43 1 3 GLY HA2 1 16 CYS H 4.700 . 4.700 3.289 2.927 3.618 . 0 0 "[ . 1 . 2 . 3 ]" 1
44 1 3 GLY HA2 1 16 CYS HB2 4.700 . 4.700 3.373 3.090 3.602 . 0 0 "[ . 1 . 2 . 3 ]" 1
45 1 3 GLY HA2 1 16 CYS HB3 4.700 . 4.700 4.043 3.703 4.436 . 0 0 "[ . 1 . 2 . 3 ]" 1
46 1 3 GLY HA3 1 4 LYS H 3.300 . 3.300 2.767 2.554 2.988 . 0 0 "[ . 1 . 2 . 3 ]" 1
47 1 4 LYS H 1 4 LYS HB2 3.300 . 3.300 2.813 2.076 3.519 0.219 4 0 "[ . 1 . 2 . 3 ]" 1
48 1 4 LYS H 1 4 LYS HB3 3.300 . 3.300 2.710 2.129 3.509 0.209 26 0 "[ . 1 . 2 . 3 ]" 1
49 1 4 LYS H 1 4 LYS HG2 4.000 . 4.000 3.498 2.740 4.240 0.240 15 0 "[ . 1 . 2 . 3 ]" 1
50 1 4 LYS H 1 4 LYS HG3 4.000 . 4.000 3.870 2.888 4.285 0.285 13 0 "[ . 1 . 2 . 3 ]" 1
51 1 4 LYS H 1 5 GLY H 4.700 . 4.700 4.645 4.606 4.678 . 0 0 "[ . 1 . 2 . 3 ]" 1
52 1 4 LYS H 1 6 ALA H 4.700 . 4.700 4.622 4.434 4.807 0.107 17 0 "[ . 1 . 2 . 3 ]" 1
53 1 4 LYS H 1 25 CYS HB3 4.700 . 4.700 3.885 3.492 4.463 . 0 0 "[ . 1 . 2 . 3 ]" 1
54 1 4 LYS HA 1 4 LYS HG2 3.700 . 3.700 3.013 1.917 3.779 0.079 10 0 "[ . 1 . 2 . 3 ]" 1
55 1 4 LYS HA 1 4 LYS HG3 3.700 . 3.700 3.158 2.117 3.781 0.081 2 0 "[ . 1 . 2 . 3 ]" 1
56 1 4 LYS HA 1 5 GLY H 3.000 . 3.000 2.313 2.249 2.457 . 0 0 "[ . 1 . 2 . 3 ]" 1
57 1 4 LYS HA 1 5 GLY QA 4.700 . 5.700 4.059 4.027 4.130 . 0 0 "[ . 1 . 2 . 3 ]" 1
58 1 4 LYS HA 1 6 ALA H 4.000 . 4.000 3.264 3.051 3.636 . 0 0 "[ . 1 . 2 . 3 ]" 1
59 1 4 LYS HA 1 25 CYS H 4.700 . 4.700 4.197 3.637 4.674 . 0 0 "[ . 1 . 2 . 3 ]" 1
60 1 4 LYS HA 1 25 CYS HB2 3.300 . 3.300 2.998 2.170 3.341 0.041 5 0 "[ . 1 . 2 . 3 ]" 1
61 1 4 LYS HA 1 25 CYS HB3 3.700 . 3.700 2.052 1.850 2.443 . 0 0 "[ . 1 . 2 . 3 ]" 1
62 1 4 LYS HB2 1 5 GLY H 4.000 . 4.000 3.520 2.706 4.205 0.205 21 0 "[ . 1 . 2 . 3 ]" 1
63 1 4 LYS HB3 1 5 GLY H 4.000 . 4.000 3.624 2.632 4.177 0.177 4 0 "[ . 1 . 2 . 3 ]" 1
64 1 4 LYS HG2 1 5 GLY H 4.000 . 4.000 3.495 2.421 4.120 0.120 29 0 "[ . 1 . 2 . 3 ]" 1
65 1 4 LYS HG3 1 5 GLY H 4.000 . 4.000 3.519 2.040 4.107 0.107 23 0 "[ . 1 . 2 . 3 ]" 1
66 1 5 GLY H 1 5 GLY HA2 3.000 . 3.700 2.384 2.344 2.462 . 0 0 "[ . 1 . 2 . 3 ]" 1
67 1 5 GLY H 1 6 ALA H 3.700 . 3.700 2.838 2.669 3.171 . 0 0 "[ . 1 . 2 . 3 ]" 1
68 1 5 GLY H 1 6 ALA MB 4.700 . 5.700 4.475 4.269 4.647 . 0 0 "[ . 1 . 2 . 3 ]" 1
69 1 5 GLY H 1 7 LYS H 4.700 . 4.700 4.605 4.030 4.926 0.226 25 0 "[ . 1 . 2 . 3 ]" 1
70 1 5 GLY H 1 25 CYS H 4.000 . 4.000 3.380 2.673 3.910 . 0 0 "[ . 1 . 2 . 3 ]" 1
71 1 5 GLY H 1 25 CYS HB2 3.700 . 3.700 3.304 2.877 3.729 0.029 31 0 "[ . 1 . 2 . 3 ]" 1
72 1 5 GLY H 1 25 CYS HB3 4.000 . 4.000 3.484 2.884 4.036 0.036 14 0 "[ . 1 . 2 . 3 ]" 1
73 1 5 GLY QA 1 6 ALA MB 3.700 . 5.700 4.218 4.119 4.294 . 0 0 "[ . 1 . 2 . 3 ]" 1
74 1 5 GLY QA 1 25 CYS H 4.700 . 5.700 3.919 2.876 4.937 . 0 0 "[ . 1 . 2 . 3 ]" 1
75 1 5 GLY HA2 1 6 ALA H 4.000 . 4.000 3.389 3.111 3.558 . 0 0 "[ . 1 . 2 . 3 ]" 1
76 1 5 GLY HA3 1 6 ALA H 3.300 . 4.000 3.126 2.804 3.455 . 0 0 "[ . 1 . 2 . 3 ]" 1
77 1 6 ALA H 1 6 ALA MB 3.300 . 3.900 2.191 2.078 2.279 . 0 0 "[ . 1 . 2 . 3 ]" 1
78 1 6 ALA H 1 7 LYS H 4.700 . 4.700 3.436 2.805 3.918 . 0 0 "[ . 1 . 2 . 3 ]" 1
79 1 6 ALA H 1 25 CYS H 4.000 . 4.000 3.357 1.983 4.058 0.058 23 0 "[ . 1 . 2 . 3 ]" 1
80 1 6 ALA H 1 25 CYS HB2 3.700 . 3.700 2.341 1.836 2.868 . 0 0 "[ . 1 . 2 . 3 ]" 1
81 1 6 ALA H 1 25 CYS HB3 4.000 . 4.000 3.312 2.818 3.662 . 0 0 "[ . 1 . 2 . 3 ]" 1
82 1 6 ALA HA 1 7 LYS H 3.000 . 3.000 2.714 2.376 3.141 0.141 17 0 "[ . 1 . 2 . 3 ]" 1
83 1 6 ALA HA 1 7 LYS QB 4.700 . 5.700 4.194 3.718 4.596 . 0 0 "[ . 1 . 2 . 3 ]" 1
84 1 6 ALA HA 1 25 CYS H 4.700 . 4.700 4.692 4.189 4.870 0.170 32 0 "[ . 1 . 2 . 3 ]" 1
85 1 6 ALA MB 1 7 LYS H 3.700 . 5.000 3.629 3.483 3.723 . 0 0 "[ . 1 . 2 . 3 ]" 1
86 1 6 ALA MB 1 25 CYS H 4.000 . 5.000 3.758 2.604 4.177 . 0 0 "[ . 1 . 2 . 3 ]" 1
87 1 7 LYS H 1 7 LYS QB 3.000 . 3.600 2.623 2.269 3.133 . 0 0 "[ . 1 . 2 . 3 ]" 1
88 1 7 LYS H 1 7 LYS HG2 3.700 . 3.700 3.388 2.823 3.997 0.297 28 0 "[ . 1 . 2 . 3 ]" 1
89 1 7 LYS H 1 7 LYS HG3 3.700 . 4.000 3.755 2.393 4.199 0.199 32 0 "[ . 1 . 2 . 3 ]" 1
90 1 7 LYS H 1 24 LYS HA 4.700 . 4.700 3.476 2.162 4.424 . 0 0 "[ . 1 . 2 . 3 ]" 1
91 1 7 LYS H 1 25 CYS H 4.700 . 4.700 3.159 2.038 4.094 . 0 0 "[ . 1 . 2 . 3 ]" 1
92 1 7 LYS HA 1 8 CYS H 2.700 . 2.700 2.309 2.079 2.740 0.040 17 0 "[ . 1 . 2 . 3 ]" 1
93 1 7 LYS HA 1 24 LYS HA 3.700 . 3.700 1.787 1.579 2.242 . 0 0 "[ . 1 . 2 . 3 ]" 1
94 1 7 LYS HA 1 24 LYS QB 4.700 . 5.700 2.943 1.847 3.907 . 0 0 "[ . 1 . 2 . 3 ]" 1
95 1 7 LYS HA 1 24 LYS HG2 4.700 . 4.700 2.962 1.898 4.354 . 0 0 "[ . 1 . 2 . 3 ]" 1
96 1 7 LYS HA 1 24 LYS HG3 4.700 . 4.700 3.516 2.384 4.643 . 0 0 "[ . 1 . 2 . 3 ]" 1
97 1 7 LYS HA 1 25 CYS H 4.000 . 4.000 2.880 1.831 4.047 0.047 17 0 "[ . 1 . 2 . 3 ]" 1
98 1 7 LYS QB 1 8 CYS H 4.000 . 5.000 2.967 2.277 4.010 . 0 0 "[ . 1 . 2 . 3 ]" 1
99 1 7 LYS QE 1 7 LYS QG 3.300 . 4.500 2.175 1.884 2.789 . 0 0 "[ . 1 . 2 . 3 ]" 1
100 1 7 LYS HG2 1 8 CYS H 4.000 . 4.000 3.671 2.545 4.272 0.272 32 0 "[ . 1 . 2 . 3 ]" 1
101 1 7 LYS HG3 1 8 CYS H 4.000 . 4.000 4.028 2.971 4.280 0.280 20 0 "[ . 1 . 2 . 3 ]" 1
102 1 8 CYS H 1 8 CYS HB2 4.000 . 4.000 3.817 3.209 4.160 0.160 32 0 "[ . 1 . 2 . 3 ]" 1
103 1 8 CYS H 1 8 CYS HB3 4.000 . 4.000 2.937 2.071 3.811 . 0 0 "[ . 1 . 2 . 3 ]" 1
104 1 8 CYS H 1 9 SER H 4.700 . 4.700 4.429 4.334 4.671 . 0 0 "[ . 1 . 2 . 3 ]" 1
105 1 8 CYS H 1 23 GLY HA2 4.000 . 4.700 4.210 3.505 4.719 0.019 6 0 "[ . 1 . 2 . 3 ]" 1
106 1 8 CYS H 1 23 GLY HA3 4.700 . 4.700 4.636 4.004 4.924 0.224 17 0 "[ . 1 . 2 . 3 ]" 1
107 1 8 CYS H 1 24 LYS H 4.700 . 4.700 4.604 3.968 4.805 0.105 13 0 "[ . 1 . 2 . 3 ]" 1
108 1 8 CYS H 1 24 LYS HA 3.700 . 3.700 2.573 1.821 3.528 . 0 0 "[ . 1 . 2 . 3 ]" 1
109 1 8 CYS H 1 25 CYS H 4.700 . 4.700 3.871 2.790 4.534 . 0 0 "[ . 1 . 2 . 3 ]" 1
110 1 8 CYS HA 1 9 SER H 3.300 . 3.300 2.678 2.504 2.840 . 0 0 "[ . 1 . 2 . 3 ]" 1
111 1 8 CYS HA 1 9 SER QB 4.700 . 5.700 4.380 4.160 4.944 . 0 0 "[ . 1 . 2 . 3 ]" 1
112 1 8 CYS HB2 1 9 SER H 3.300 . 3.300 2.747 1.780 3.143 . 0 0 "[ . 1 . 2 . 3 ]" 1
113 1 8 CYS HB2 1 14 ASP QB 4.700 . 5.700 3.803 2.639 5.135 . 0 0 "[ . 1 . 2 . 3 ]" 1
114 1 8 CYS HB2 1 20 CYS HA 4.700 . 4.700 4.706 2.537 4.986 0.286 31 0 "[ . 1 . 2 . 3 ]" 1
115 1 8 CYS HB3 1 9 SER H 4.000 . 4.000 3.728 3.179 3.934 . 0 0 "[ . 1 . 2 . 3 ]" 1
116 1 8 CYS HB3 1 14 ASP QB 4.700 . 5.700 4.686 4.156 5.161 . 0 0 "[ . 1 . 2 . 3 ]" 1
117 1 8 CYS HB3 1 24 LYS HA 4.700 . 4.700 4.057 2.945 4.826 0.126 25 0 "[ . 1 . 2 . 3 ]" 1
118 1 8 CYS HB3 1 25 CYS H 4.000 . 4.000 3.868 2.680 4.249 0.249 30 0 "[ . 1 . 2 . 3 ]" 1
119 1 9 SER H 1 9 SER HB2 3.700 . 4.000 2.372 2.111 3.097 . 0 0 "[ . 1 . 2 . 3 ]" 1
120 1 9 SER H 1 9 SER HB3 4.000 . 4.000 3.187 2.341 3.653 . 0 0 "[ . 1 . 2 . 3 ]" 1
121 1 9 SER H 1 12 MET QB 4.700 . 5.700 3.055 2.239 3.944 . 0 0 "[ . 1 . 2 . 3 ]" 1
122 1 9 SER HA 1 10 ARG H 3.300 . 3.300 3.254 2.182 3.539 0.239 5 0 "[ . 1 . 2 . 3 ]" 1
123 1 9 SER QB 1 11 LEU H 4.700 . 5.700 4.203 2.755 5.249 . 0 0 "[ . 1 . 2 . 3 ]" 1
124 1 9 SER HB2 1 10 ARG H 4.000 . 4.000 3.182 2.245 4.219 0.219 20 0 "[ . 1 . 2 . 3 ]" 1
125 1 9 SER HB2 1 12 MET QB 4.700 . 5.700 3.655 1.812 4.842 . 0 0 "[ . 1 . 2 . 3 ]" 1
126 1 9 SER HB2 1 12 MET HG2 4.000 . 4.700 3.497 2.188 4.715 0.015 11 0 "[ . 1 . 2 . 3 ]" 1
127 1 9 SER HB2 1 12 MET HG3 4.000 . 4.700 2.730 1.874 4.704 0.004 27 0 "[ . 1 . 2 . 3 ]" 1
128 1 9 SER HB3 1 10 ARG H 4.000 . 4.000 2.834 1.836 4.167 0.167 14 0 "[ . 1 . 2 . 3 ]" 1
129 1 9 SER HB3 1 12 MET QB 4.700 . 5.700 4.197 2.054 5.021 . 0 0 "[ . 1 . 2 . 3 ]" 1
130 1 9 SER HB3 1 12 MET HG2 4.700 . 4.700 3.848 2.406 4.708 0.008 20 0 "[ . 1 . 2 . 3 ]" 1
131 1 9 SER HB3 1 12 MET HG3 4.700 . 4.700 3.382 1.899 4.741 0.041 8 0 "[ . 1 . 2 . 3 ]" 1
132 1 10 ARG H 1 10 ARG QB 3.300 . 3.900 3.009 2.162 3.515 . 0 0 "[ . 1 . 2 . 3 ]" 1
133 1 10 ARG H 1 10 ARG QG 4.000 . 5.000 3.496 1.848 4.444 . 0 0 "[ . 1 . 2 . 3 ]" 1
134 1 10 ARG H 1 11 LEU H 4.000 . 4.000 3.200 1.762 4.076 0.076 30 0 "[ . 1 . 2 . 3 ]" 1
135 1 10 ARG HA 1 20 CYS HB2 3.300 . 3.300 3.276 2.897 3.366 0.066 13 0 "[ . 1 . 2 . 3 ]" 1
136 1 10 ARG HA 1 20 CYS HB3 3.700 . 3.700 3.483 2.464 3.772 0.072 22 0 "[ . 1 . 2 . 3 ]" 1
137 1 10 ARG QB 1 10 ARG HE 4.000 . 5.000 3.251 1.858 4.350 . 0 0 "[ . 1 . 2 . 3 ]" 1
138 1 10 ARG QB 1 11 LEU H 3.700 . 4.700 3.020 1.798 4.056 . 0 0 "[ . 1 . 2 . 3 ]" 1
139 1 11 LEU H 1 11 LEU QB 3.300 . 4.300 2.795 2.165 3.485 . 0 0 "[ . 1 . 2 . 3 ]" 1
140 1 11 LEU H 1 11 LEU QD 4.000 . 5.700 3.394 2.061 4.152 . 0 0 "[ . 1 . 2 . 3 ]" 1
141 1 11 LEU H 1 11 LEU HG 3.700 . 4.100 3.936 3.257 4.234 0.134 25 0 "[ . 1 . 2 . 3 ]" 1
142 1 11 LEU H 1 12 MET H 3.700 . 3.700 2.662 1.802 3.703 0.003 14 0 "[ . 1 . 2 . 3 ]" 1
143 1 11 LEU HA 1 11 LEU MD1 4.000 . 4.000 3.222 2.232 3.645 . 0 0 "[ . 1 . 2 . 3 ]" 1
144 1 11 LEU HA 1 11 LEU MD2 3.300 . 4.000 3.019 1.837 3.402 . 0 0 "[ . 1 . 2 . 3 ]" 1
145 1 11 LEU HA 1 12 MET H 4.000 . 4.000 2.903 2.194 3.462 . 0 0 "[ . 1 . 2 . 3 ]" 1
146 1 11 LEU HA 1 13 TYR H 4.700 . 4.700 3.365 2.933 4.780 0.080 11 0 "[ . 1 . 2 . 3 ]" 1
147 1 11 LEU HA 1 13 TYR QD 4.000 . 6.000 4.002 2.403 4.993 . 0 0 "[ . 1 . 2 . 3 ]" 1
148 1 11 LEU HA 1 13 TYR QE 3.000 . 5.000 3.920 2.814 4.839 . 0 0 "[ . 1 . 2 . 3 ]" 1
149 1 11 LEU HA 1 20 CYS H 4.700 . 4.700 4.441 3.575 4.765 0.065 25 0 "[ . 1 . 2 . 3 ]" 1
150 1 11 LEU QB 1 11 LEU MD1 3.000 . 5.500 1.987 1.870 2.135 . 0 0 "[ . 1 . 2 . 3 ]" 1
151 1 11 LEU QD 1 13 TYR QE 4.000 . 8.400 2.687 1.738 3.993 . 0 0 "[ . 1 . 2 . 3 ]" 1
152 1 12 MET H 1 12 MET QB 3.700 . 4.300 2.335 2.085 3.223 . 0 0 "[ . 1 . 2 . 3 ]" 1
153 1 12 MET H 1 12 MET QG 4.700 . 5.700 3.034 1.831 4.071 . 0 0 "[ . 1 . 2 . 3 ]" 1
154 1 12 MET H 1 13 TYR H 4.000 . 4.000 2.427 1.812 3.398 . 0 0 "[ . 1 . 2 . 3 ]" 1
155 1 12 MET HA 1 12 MET HG2 3.700 . 3.700 2.402 1.939 3.627 . 0 0 "[ . 1 . 2 . 3 ]" 1
156 1 12 MET HA 1 12 MET HG3 3.000 . 3.700 3.292 2.087 3.728 0.028 15 0 "[ . 1 . 2 . 3 ]" 1
157 1 12 MET HA 1 13 TYR H 3.700 . 3.700 3.401 2.434 3.579 . 0 0 "[ . 1 . 2 . 3 ]" 1
158 1 12 MET QB 1 13 TYR H 4.000 . 5.000 3.094 2.534 3.883 . 0 0 "[ . 1 . 2 . 3 ]" 1
159 1 12 MET QB 1 14 ASP H 4.000 . 5.000 3.430 2.222 4.217 . 0 0 "[ . 1 . 2 . 3 ]" 1
160 1 13 TYR H 1 13 TYR HB2 4.000 . 4.000 3.431 2.441 3.809 . 0 0 "[ . 1 . 2 . 3 ]" 1
161 1 13 TYR H 1 13 TYR QD 4.000 . 6.000 3.016 1.920 3.865 . 0 0 "[ . 1 . 2 . 3 ]" 1
162 1 13 TYR H 1 14 ASP H 3.300 . 3.300 2.943 2.452 3.466 0.166 11 0 "[ . 1 . 2 . 3 ]" 1
163 1 13 TYR HA 1 13 TYR QD 3.300 . 4.300 2.355 1.863 2.987 . 0 0 "[ . 1 . 2 . 3 ]" 1
164 1 13 TYR HA 1 14 ASP H 3.700 . 3.700 2.667 2.380 3.022 . 0 0 "[ . 1 . 2 . 3 ]" 1
165 1 13 TYR HA 1 15 CYS H 4.000 . 4.000 3.617 3.236 4.037 0.037 5 0 "[ . 1 . 2 . 3 ]" 1
166 1 13 TYR HB2 1 13 TYR QD 3.300 . 3.900 2.436 2.297 2.782 . 0 0 "[ . 1 . 2 . 3 ]" 1
167 1 13 TYR HB2 1 13 TYR QE 4.000 . 4.600 4.449 4.410 4.538 . 0 0 "[ . 1 . 2 . 3 ]" 1
168 1 13 TYR HB3 1 13 TYR QD 3.300 . 3.900 2.558 2.305 2.774 . 0 0 "[ . 1 . 2 . 3 ]" 1
169 1 13 TYR HB3 1 13 TYR QE 4.000 . 4.600 4.481 4.413 4.535 . 0 0 "[ . 1 . 2 . 3 ]" 1
170 1 13 TYR HB3 1 14 ASP H 4.700 . 4.700 4.376 4.171 4.539 . 0 0 "[ . 1 . 2 . 3 ]" 1
171 1 13 TYR QD 1 14 ASP H 4.700 . 6.700 4.562 4.001 4.923 . 0 0 "[ . 1 . 2 . 3 ]" 1
172 1 13 TYR QD 1 15 CYS H 4.700 . 6.700 5.377 4.013 6.182 . 0 0 "[ . 1 . 2 . 3 ]" 1
173 1 14 ASP H 1 14 ASP HB2 3.700 . 3.700 2.713 2.218 3.744 0.044 30 0 "[ . 1 . 2 . 3 ]" 1
174 1 14 ASP H 1 14 ASP HB3 3.700 . 3.700 3.634 3.079 3.836 0.136 31 0 "[ . 1 . 2 . 3 ]" 1
175 1 14 ASP H 1 15 CYS H 3.700 . 3.700 2.015 1.817 2.261 . 0 0 "[ . 1 . 2 . 3 ]" 1
176 1 14 ASP H 1 15 CYS HB3 4.700 . 5.700 5.553 5.271 5.725 0.025 29 0 "[ . 1 . 2 . 3 ]" 1
177 1 14 ASP HA 1 15 CYS H 4.000 . 4.000 3.468 3.301 3.561 . 0 0 "[ . 1 . 2 . 3 ]" 1
178 1 14 ASP HB2 1 15 CYS H 4.700 . 4.700 3.159 2.639 4.172 . 0 0 "[ . 1 . 2 . 3 ]" 1
179 1 14 ASP HB3 1 15 CYS H 4.000 . 4.700 3.948 3.417 4.494 . 0 0 "[ . 1 . 2 . 3 ]" 1
180 1 15 CYS H 1 15 CYS HB2 3.300 . 3.300 2.827 2.657 2.945 . 0 0 "[ . 1 . 2 . 3 ]" 1
181 1 15 CYS H 1 15 CYS HB3 4.000 . 4.000 3.612 3.602 3.632 . 0 0 "[ . 1 . 2 . 3 ]" 1
182 1 15 CYS H 1 16 CYS H 4.700 . 4.700 4.470 4.427 4.509 . 0 0 "[ . 1 . 2 . 3 ]" 1
183 1 15 CYS HA 1 15 CYS HB3 3.000 . 3.000 2.349 2.307 2.423 . 0 0 "[ . 1 . 2 . 3 ]" 1
184 1 15 CYS HA 1 16 CYS H 3.000 . 3.000 2.048 2.024 2.073 . 0 0 "[ . 1 . 2 . 3 ]" 1
185 1 15 CYS HA 1 16 CYS HB2 4.700 . 4.700 4.029 3.961 4.096 . 0 0 "[ . 1 . 2 . 3 ]" 1
186 1 15 CYS HA 1 16 CYS HB3 4.700 . 4.700 5.041 4.963 5.114 0.414 5 0 "[ . 1 . 2 . 3 ]" 1
187 1 15 CYS HA 1 17 THR H 4.700 . 4.700 3.754 3.442 4.236 . 0 0 "[ . 1 . 2 . 3 ]" 1
188 1 15 CYS HB2 1 16 CYS H 4.700 . 4.700 4.031 3.917 4.238 . 0 0 "[ . 1 . 2 . 3 ]" 1
189 1 15 CYS HB2 1 17 THR H 4.000 . 4.000 3.482 2.912 3.985 . 0 0 "[ . 1 . 2 . 3 ]" 1
190 1 15 CYS HB2 1 19 SER HA 4.700 . 4.700 2.984 1.967 3.499 . 0 0 "[ . 1 . 2 . 3 ]" 1
191 1 15 CYS HB2 1 25 CYS HB3 4.700 . 5.700 4.483 4.338 4.609 . 0 0 "[ . 1 . 2 . 3 ]" 1
192 1 15 CYS HB3 1 16 CYS H 3.300 . 3.300 3.387 3.308 3.468 0.168 17 0 "[ . 1 . 2 . 3 ]" 1
193 1 15 CYS HB3 1 17 THR H 3.700 . 3.700 3.094 2.616 3.722 0.022 15 0 "[ . 1 . 2 . 3 ]" 1
194 1 15 CYS HB3 1 19 SER HA 4.700 . 4.700 4.374 3.163 4.734 0.034 10 0 "[ . 1 . 2 . 3 ]" 1
195 1 16 CYS H 1 16 CYS HB2 3.300 . 4.000 2.032 1.979 2.076 . 0 0 "[ . 1 . 2 . 3 ]" 1
196 1 16 CYS H 1 16 CYS HB3 4.000 . 4.000 3.078 2.981 3.170 . 0 0 "[ . 1 . 2 . 3 ]" 1
197 1 16 CYS H 1 17 THR H 3.700 . 3.700 2.799 2.626 3.040 . 0 0 "[ . 1 . 2 . 3 ]" 1
198 1 16 CYS HA 1 16 CYS HB3 3.000 . 3.300 2.924 2.884 2.951 . 0 0 "[ . 1 . 2 . 3 ]" 1
199 1 16 CYS HA 1 17 THR H 4.000 . 4.000 3.519 3.393 3.597 . 0 0 "[ . 1 . 2 . 3 ]" 1
200 1 16 CYS HB2 1 17 THR H 3.700 . 4.000 3.496 3.234 3.940 . 0 0 "[ . 1 . 2 . 3 ]" 1
201 1 16 CYS HB3 1 17 THR H 4.000 . 4.000 2.919 2.325 3.493 . 0 0 "[ . 1 . 2 . 3 ]" 1
202 1 17 THR H 1 17 THR HB 3.700 . 4.000 3.516 3.046 3.924 . 0 0 "[ . 1 . 2 . 3 ]" 1
203 1 17 THR H 1 17 THR MG 4.000 . 5.000 2.568 1.839 3.757 . 0 0 "[ . 1 . 2 . 3 ]" 1
204 1 17 THR HA 1 18 GLY H 3.300 . 3.300 2.747 2.183 3.529 0.229 15 0 "[ . 1 . 2 . 3 ]" 1
205 1 17 THR MG 1 18 GLY H 4.000 . 5.000 3.643 1.955 4.164 . 0 0 "[ . 1 . 2 . 3 ]" 1
206 1 18 GLY H 1 18 GLY HA2 3.000 . 3.300 2.655 2.345 2.887 . 0 0 "[ . 1 . 2 . 3 ]" 1
207 1 18 GLY HA2 1 19 SER H 3.700 . 4.000 2.934 2.436 3.485 . 0 0 "[ . 1 . 2 . 3 ]" 1
208 1 18 GLY HA3 1 19 SER H 3.000 . 4.000 2.371 2.180 2.804 . 0 0 "[ . 1 . 2 . 3 ]" 1
209 1 19 SER H 1 19 SER HB2 3.700 . 4.000 3.290 2.278 3.992 . 0 0 "[ . 1 . 2 . 3 ]" 1
210 1 19 SER H 1 19 SER HB3 3.700 . 4.000 3.334 2.482 3.978 . 0 0 "[ . 1 . 2 . 3 ]" 1
211 1 19 SER H 1 20 CYS H 4.700 . 4.700 4.376 4.150 4.564 . 0 0 "[ . 1 . 2 . 3 ]" 1
212 1 19 SER HA 1 20 CYS H 3.000 . 3.000 2.717 2.487 2.980 . 0 0 "[ . 1 . 2 . 3 ]" 1
213 1 19 SER HB2 1 20 CYS H 3.700 . 4.000 2.756 1.867 3.943 . 0 0 "[ . 1 . 2 . 3 ]" 1
214 1 19 SER HB3 1 20 CYS H 4.000 . 4.000 2.919 2.028 3.912 . 0 0 "[ . 1 . 2 . 3 ]" 1
215 1 20 CYS H 1 20 CYS HB2 3.300 . 3.300 2.573 2.106 2.844 . 0 0 "[ . 1 . 2 . 3 ]" 1
216 1 20 CYS H 1 20 CYS HB3 3.700 . 3.700 3.600 3.206 3.714 0.014 16 0 "[ . 1 . 2 . 3 ]" 1
217 1 20 CYS H 1 25 CYS HA 4.700 . 4.700 4.546 4.061 4.751 0.051 14 0 "[ . 1 . 2 . 3 ]" 1
218 1 20 CYS HA 1 21 ARG H 3.000 . 3.300 2.253 2.160 2.347 . 0 0 "[ . 1 . 2 . 3 ]" 1
219 1 20 CYS HA 1 25 CYS HA 3.700 . 3.700 2.212 1.877 2.660 . 0 0 "[ . 1 . 2 . 3 ]" 1
220 1 20 CYS HB2 1 21 ARG H 4.700 . 4.700 4.209 3.653 4.622 . 0 0 "[ . 1 . 2 . 3 ]" 1
221 1 20 CYS HB3 1 21 ARG H 4.700 . 4.700 3.541 2.771 4.136 . 0 0 "[ . 1 . 2 . 3 ]" 1
222 1 21 ARG H 1 21 ARG HB2 3.700 . 3.700 2.827 2.325 3.740 0.040 18 0 "[ . 1 . 2 . 3 ]" 1
223 1 21 ARG H 1 21 ARG HB3 3.700 . 3.700 2.968 2.373 3.728 0.028 3 0 "[ . 1 . 2 . 3 ]" 1
224 1 21 ARG H 1 21 ARG QD 4.700 . 5.700 4.638 4.073 5.036 . 0 0 "[ . 1 . 2 . 3 ]" 1
225 1 21 ARG H 1 21 ARG HG2 4.700 . 4.700 4.420 2.208 4.861 0.161 17 0 "[ . 1 . 2 . 3 ]" 1
226 1 21 ARG H 1 21 ARG HG3 4.000 . 4.700 4.322 3.048 4.798 0.098 14 0 "[ . 1 . 2 . 3 ]" 1
227 1 21 ARG H 1 23 GLY H 4.700 . 4.700 3.759 3.077 4.625 . 0 0 "[ . 1 . 2 . 3 ]" 1
228 1 21 ARG H 1 24 LYS H 3.700 . 3.700 3.442 2.129 3.758 0.058 26 0 "[ . 1 . 2 . 3 ]" 1
229 1 21 ARG H 1 25 CYS HA 4.000 . 4.000 3.310 2.781 4.015 0.015 28 0 "[ . 1 . 2 . 3 ]" 1
230 1 21 ARG HA 1 21 ARG QD 4.000 . 5.000 3.676 1.878 4.383 . 0 0 "[ . 1 . 2 . 3 ]" 1
231 1 21 ARG HA 1 21 ARG HG2 3.700 . 3.700 2.788 1.905 3.772 0.072 10 0 "[ . 1 . 2 . 3 ]" 1
232 1 21 ARG HA 1 21 ARG HG3 3.700 . 3.700 2.730 1.970 3.636 . 0 0 "[ . 1 . 2 . 3 ]" 1
233 1 21 ARG HA 1 22 SER H 3.000 . 3.000 2.235 2.146 2.660 . 0 0 "[ . 1 . 2 . 3 ]" 1
234 1 21 ARG HA 1 22 SER HA 4.700 . 4.700 4.492 4.445 4.706 0.006 30 0 "[ . 1 . 2 . 3 ]" 1
235 1 21 ARG HA 1 23 GLY H 4.000 . 4.000 3.451 3.056 3.728 . 0 0 "[ . 1 . 2 . 3 ]" 1
236 1 21 ARG QB 1 21 ARG HE 4.700 . 5.700 3.121 1.927 4.002 . 0 0 "[ . 1 . 2 . 3 ]" 1
237 1 21 ARG HB2 1 21 ARG QD 3.700 . 4.300 2.536 1.905 3.267 . 0 0 "[ . 1 . 2 . 3 ]" 1
238 1 21 ARG HB2 1 22 SER H 4.000 . 4.300 4.245 3.192 4.543 0.243 12 0 "[ . 1 . 2 . 3 ]" 1
239 1 21 ARG HB3 1 21 ARG QD 3.700 . 4.300 2.566 1.921 3.292 . 0 0 "[ . 1 . 2 . 3 ]" 1
240 1 21 ARG HB3 1 22 SER H 4.000 . 4.300 3.802 2.059 4.372 0.072 11 0 "[ . 1 . 2 . 3 ]" 1
241 1 21 ARG HG2 1 22 SER H 4.700 . 4.700 3.386 1.991 4.741 0.041 18 0 "[ . 1 . 2 . 3 ]" 1
242 1 21 ARG HG3 1 22 SER H 4.700 . 4.700 3.720 2.371 4.733 0.033 3 0 "[ . 1 . 2 . 3 ]" 1
243 1 22 SER H 1 22 SER HA 3.000 . 3.000 2.355 2.341 2.368 . 0 0 "[ . 1 . 2 . 3 ]" 1
244 1 22 SER H 1 22 SER HB2 4.000 . 4.000 3.409 2.942 4.048 0.048 24 0 "[ . 1 . 2 . 3 ]" 1
245 1 22 SER H 1 22 SER HB3 4.000 . 4.000 3.655 2.955 4.076 0.076 13 0 "[ . 1 . 2 . 3 ]" 1
246 1 22 SER H 1 23 GLY H 3.700 . 3.700 2.773 2.558 3.180 . 0 0 "[ . 1 . 2 . 3 ]" 1
247 1 22 SER HA 1 22 SER HB2 3.000 . 4.700 2.639 2.279 3.033 . 0 0 "[ . 1 . 2 . 3 ]" 1
248 1 22 SER HA 1 23 GLY H 3.700 . 3.700 3.138 2.875 3.557 . 0 0 "[ . 1 . 2 . 3 ]" 1
249 1 22 SER QB 1 23 GLY H 4.700 . 5.700 3.655 2.758 4.017 . 0 0 "[ . 1 . 2 . 3 ]" 1
250 1 22 SER QB 1 24 LYS H 4.700 . 5.700 3.353 2.899 4.207 . 0 0 "[ . 1 . 2 . 3 ]" 1
251 1 23 GLY H 1 23 GLY HA2 3.000 . 3.700 2.446 2.346 2.684 . 0 0 "[ . 1 . 2 . 3 ]" 1
252 1 23 GLY H 1 24 LYS H 3.700 . 3.700 2.535 1.809 3.040 . 0 0 "[ . 1 . 2 . 3 ]" 1
253 1 23 GLY HA2 1 24 LYS H 4.000 . 4.000 3.403 2.960 3.573 . 0 0 "[ . 1 . 2 . 3 ]" 1
254 1 23 GLY HA3 1 24 LYS H 4.000 . 4.000 3.151 2.780 3.514 . 0 0 "[ . 1 . 2 . 3 ]" 1
255 1 24 LYS H 1 24 LYS HB2 3.700 . 3.700 2.675 2.284 3.399 . 0 0 "[ . 1 . 2 . 3 ]" 1
256 1 24 LYS H 1 24 LYS HB3 4.000 . 4.000 3.755 3.446 3.982 . 0 0 "[ . 1 . 2 . 3 ]" 1
257 1 24 LYS H 1 24 LYS HG2 4.000 . 4.000 3.877 1.855 4.138 0.138 27 0 "[ . 1 . 2 . 3 ]" 1
258 1 24 LYS H 1 24 LYS HG3 4.000 . 4.000 2.795 2.397 3.880 . 0 0 "[ . 1 . 2 . 3 ]" 1
259 1 24 LYS H 1 25 CYS H 4.700 . 4.700 4.521 4.406 4.623 . 0 0 "[ . 1 . 2 . 3 ]" 1
260 1 24 LYS HA 1 24 LYS QD 4.700 . 5.300 3.939 2.920 4.234 . 0 0 "[ . 1 . 2 . 3 ]" 1
261 1 24 LYS HA 1 24 LYS HG2 4.000 . 4.000 2.820 1.945 3.531 . 0 0 "[ . 1 . 2 . 3 ]" 1
262 1 24 LYS HA 1 24 LYS HG3 4.000 . 4.000 2.868 2.240 4.122 0.122 22 0 "[ . 1 . 2 . 3 ]" 1
263 1 24 LYS HA 1 25 CYS H 3.000 . 3.000 2.347 2.164 2.575 . 0 0 "[ . 1 . 2 . 3 ]" 1
264 1 24 LYS HA 1 25 CYS HB2 4.700 . 5.700 4.449 4.322 4.631 . 0 0 "[ . 1 . 2 . 3 ]" 1
265 1 24 LYS HB2 1 25 CYS H 4.000 . 4.000 3.689 2.516 4.145 0.145 14 0 "[ . 1 . 2 . 3 ]" 1
266 1 24 LYS HB3 1 25 CYS H 3.700 . 3.700 2.758 2.223 3.189 . 0 0 "[ . 1 . 2 . 3 ]" 1
267 1 24 LYS HG2 1 25 CYS H 4.700 . 4.700 4.365 3.445 4.824 0.124 28 0 "[ . 1 . 2 . 3 ]" 1
268 1 24 LYS HG3 1 25 CYS H 4.700 . 4.700 4.729 3.875 4.951 0.251 32 0 "[ . 1 . 2 . 3 ]" 1
269 1 25 CYS H 1 25 CYS HB2 3.300 . 3.300 2.146 2.099 2.232 . 0 0 "[ . 1 . 2 . 3 ]" 1
270 1 25 CYS H 1 25 CYS HB3 4.000 . 4.000 3.449 3.360 3.546 . 0 0 "[ . 1 . 2 . 3 ]" 1
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