NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403875 |
1wt7   |
6389 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wt7
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 309
_Distance_constraint_stats_list.Viol_count 171
_Distance_constraint_stats_list.Viol_total 694.250
_Distance_constraint_stats_list.Viol_max 0.806
_Distance_constraint_stats_list.Viol_rms 0.0379
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.1624
_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 TRP 0.022 0.022 14 0 "[ . 1 . 2 .]"
1 2 CYS 0.071 0.071 24 0 "[ . 1 . 2 .]"
1 3 SER 0.071 0.071 24 0 "[ . 1 . 2 .]"
1 4 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 5 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 6 LEU 0.073 0.073 12 0 "[ . 1 . 2 .]"
1 7 ASP 2.064 0.483 23 0 "[ . 1 . 2 .]"
1 8 LEU 3.993 0.373 24 0 "[ . 1 . 2 .]"
1 9 ALA 2.836 0.373 24 0 "[ . 1 . 2 .]"
1 10 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 11 THR 0.564 0.128 15 0 "[ . 1 . 2 .]"
1 12 GLY 0.274 0.152 21 0 "[ . 1 . 2 .]"
1 13 SER 0.159 0.064 17 0 "[ . 1 . 2 .]"
1 14 LYS 7.903 0.806 19 10 "[** * *- 1 * . *+2 ** .]"
1 15 ASP 0.880 0.152 21 0 "[ . 1 . 2 .]"
1 16 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 17 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 19 PRO 0.602 0.306 25 0 "[ . 1 . 2 .]"
1 20 CYS 0.023 0.023 21 0 "[ . 1 . 2 .]"
1 21 ARG 0.524 0.151 7 0 "[ . 1 . 2 .]"
1 22 LYS 0.579 0.306 25 0 "[ . 1 . 2 .]"
1 23 GLN 0.022 0.022 14 0 "[ . 1 . 2 .]"
1 24 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 26 CYS 1.148 0.417 7 0 "[ . 1 . 2 .]"
1 27 PRO 1.558 0.230 21 0 "[ . 1 . 2 .]"
1 28 ASN 1.974 0.417 7 0 "[ . 1 . 2 .]"
1 29 ALA 0.109 0.070 7 0 "[ . 1 . 2 .]"
1 30 LYS 0.277 0.064 17 0 "[ . 1 . 2 .]"
1 31 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 32 ILE 0.100 0.052 3 0 "[ . 1 . 2 .]"
1 33 ASN 6.314 0.437 7 0 "[ . 1 . 2 .]"
1 34 LYS 1.311 0.323 22 0 "[ . 1 . 2 .]"
1 35 SER 0.159 0.069 23 0 "[ . 1 . 2 .]"
1 36 CYS 0.619 0.222 20 0 "[ . 1 . 2 .]"
1 37 LYS 0.359 0.183 16 0 "[ . 1 . 2 .]"
1 38 CYS 0.109 0.070 7 0 "[ . 1 . 2 .]"
1 39 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 40 GLY 0.123 0.052 15 0 "[ . 1 . 2 .]"
1 41 CYS 1.864 0.429 7 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 TRP QB 1 1 TRP HD1 3.200 . 4.500 2.672 2.500 2.981 . 0 0 "[ . 1 . 2 .]" 1
2 1 1 TRP HD1 1 23 GLN QG 3.600 . 5.200 3.490 1.978 4.721 0.022 14 0 "[ . 1 . 2 .]" 1
3 1 2 CYS H 1 23 GLN QG 2.900 . 6.000 4.018 1.834 5.697 . 0 0 "[ . 1 . 2 .]" 1
4 1 2 CYS HA 1 2 CYS QB 2.500 . 3.300 2.238 2.151 2.390 . 0 0 "[ . 1 . 2 .]" 1
5 1 2 CYS HA 1 3 SER H 2.400 . 3.100 2.212 2.110 2.712 . 0 0 "[ . 1 . 2 .]" 1
6 1 2 CYS QB 1 3 SER H 5.000 . 6.000 3.463 1.929 4.040 0.071 24 0 "[ . 1 . 2 .]" 1
7 1 2 CYS QB 1 19 PRO HA 2.900 . 6.000 4.243 2.198 5.696 . 0 0 "[ . 1 . 2 .]" 1
8 1 3 SER H 1 3 SER HB2 3.200 . 4.400 2.821 2.395 3.584 . 0 0 "[ . 1 . 2 .]" 1
9 1 3 SER H 1 3 SER HB3 3.600 . 5.300 3.196 2.468 3.633 . 0 0 "[ . 1 . 2 .]" 1
10 1 3 SER H 1 4 THR H 2.900 . 4.000 2.647 2.318 3.343 . 0 0 "[ . 1 . 2 .]" 1
11 1 3 SER HA 1 3 SER HB2 2.700 . 3.600 2.811 2.456 3.032 . 0 0 "[ . 1 . 2 .]" 1
12 1 3 SER HA 1 3 SER HB3 2.900 . 4.000 2.516 2.283 3.034 . 0 0 "[ . 1 . 2 .]" 1
13 1 3 SER HA 1 4 THR H 3.900 . 5.800 3.414 2.748 3.587 . 0 0 "[ . 1 . 2 .]" 1
14 1 3 SER HB2 1 4 THR H 6.000 . 6.000 3.418 1.975 4.298 . 0 0 "[ . 1 . 2 .]" 1
15 1 3 SER HB3 1 4 THR H 6.000 . 6.000 3.859 2.304 4.512 . 0 0 "[ . 1 . 2 .]" 1
16 1 4 THR HA 1 5 CYS H 3.300 . 4.600 3.124 2.194 3.585 . 0 0 "[ . 1 . 2 .]" 1
17 1 5 CYS H 1 5 CYS HA 3.000 . 4.100 2.778 2.196 2.972 . 0 0 "[ . 1 . 2 .]" 1
18 1 5 CYS H 1 5 CYS QB 2.800 . 3.800 2.811 2.253 3.416 . 0 0 "[ . 1 . 2 .]" 1
19 1 5 CYS HA 1 5 CYS QB 3.600 . 5.200 2.299 2.145 2.456 . 0 0 "[ . 1 . 2 .]" 1
20 1 6 LEU QB 1 7 ASP H 3.400 . 4.900 2.625 1.827 3.914 0.073 12 0 "[ . 1 . 2 .]" 1
21 1 7 ASP H 1 7 ASP HA 2.700 . 3.600 2.922 2.863 2.962 . 0 0 "[ . 1 . 2 .]" 1
22 1 7 ASP H 1 7 ASP HB2 2.600 . 3.400 3.021 2.261 3.883 0.483 23 0 "[ . 1 . 2 .]" 1
23 1 7 ASP H 1 7 ASP HB3 3.000 . 4.200 3.187 2.604 3.769 . 0 0 "[ . 1 . 2 .]" 1
24 1 7 ASP HA 1 7 ASP HB3 2.500 . 3.300 2.732 2.355 3.042 . 0 0 "[ . 1 . 2 .]" 1
25 1 7 ASP HA 1 8 LEU H 2.400 . 3.100 2.522 2.134 3.344 0.244 9 0 "[ . 1 . 2 .]" 1
26 1 7 ASP HB2 1 8 LEU H 4.800 . 6.000 4.222 3.308 4.641 . 0 0 "[ . 1 . 2 .]" 1
27 1 7 ASP HB3 1 8 LEU H 5.000 . 6.000 4.323 3.944 4.649 . 0 0 "[ . 1 . 2 .]" 1
28 1 8 LEU H 1 8 LEU HA 2.600 . 3.400 2.934 2.849 2.964 . 0 0 "[ . 1 . 2 .]" 1
29 1 8 LEU H 1 8 LEU QB 2.900 . 3.900 2.500 2.177 3.193 . 0 0 "[ . 1 . 2 .]" 1
30 1 8 LEU HA 1 8 LEU QB 3.000 . 4.100 2.384 2.135 2.517 . 0 0 "[ . 1 . 2 .]" 1
31 1 8 LEU HA 1 9 ALA H 2.200 . 2.800 2.874 2.582 3.173 0.373 24 0 "[ . 1 . 2 .]" 1
32 1 8 LEU QB 1 36 CYS H 3.200 . 4.500 4.206 3.278 4.722 0.222 20 0 "[ . 1 . 2 .]" 1
33 1 9 ALA H 1 9 ALA HA 3.000 . 4.100 2.740 2.694 2.788 . 0 0 "[ . 1 . 2 .]" 1
34 1 9 ALA HA 1 10 CYS H 2.100 . 2.600 2.287 2.248 2.355 . 0 0 "[ . 1 . 2 .]" 1
35 1 9 ALA HA 1 35 SER HA 3.000 . 4.100 3.146 2.146 4.154 0.054 10 0 "[ . 1 . 2 .]" 1
36 1 10 CYS H 1 10 CYS HA 2.900 . 3.900 2.229 2.202 2.257 . 0 0 "[ . 1 . 2 .]" 1
37 1 10 CYS H 1 10 CYS HB2 3.100 . 4.300 3.367 3.033 3.526 . 0 0 "[ . 1 . 2 .]" 1
38 1 10 CYS H 1 10 CYS HB3 3.100 . 4.300 4.031 3.629 4.123 . 0 0 "[ . 1 . 2 .]" 1
39 1 10 CYS H 1 11 THR H 2.100 . 6.000 2.702 2.573 2.816 . 0 0 "[ . 1 . 2 .]" 1
40 1 10 CYS HB2 1 11 THR H 4.400 . 6.000 4.434 4.232 4.667 . 0 0 "[ . 1 . 2 .]" 1
41 1 10 CYS HB3 1 11 THR H 3.100 . 6.000 4.384 4.223 4.471 . 0 0 "[ . 1 . 2 .]" 1
42 1 10 CYS HB3 1 31 CYS QB 3.400 . 4.900 3.824 3.187 4.269 . 0 0 "[ . 1 . 2 .]" 1
43 1 11 THR H 1 11 THR HA 2.900 . 4.000 2.915 2.891 2.933 . 0 0 "[ . 1 . 2 .]" 1
44 1 11 THR H 1 11 THR HB 3.100 . 4.300 2.893 2.538 3.642 . 0 0 "[ . 1 . 2 .]" 1
45 1 11 THR H 1 15 ASP HB2 4.000 . 6.000 5.597 4.741 6.128 0.128 15 0 "[ . 1 . 2 .]" 1
46 1 11 THR H 1 15 ASP HB3 4.300 . 6.000 5.207 4.519 5.985 . 0 0 "[ . 1 . 2 .]" 1
47 1 11 THR HA 1 11 THR HB 2.600 . 3.500 2.730 2.462 3.049 . 0 0 "[ . 1 . 2 .]" 1
48 1 11 THR HA 1 12 GLY H 3.000 . 4.100 3.326 2.893 3.497 . 0 0 "[ . 1 . 2 .]" 1
49 1 11 THR HB 1 12 GLY H 3.800 . 5.600 3.828 2.815 4.527 . 0 0 "[ . 1 . 2 .]" 1
50 1 12 GLY H 1 12 GLY HA2 2.500 . 3.300 2.549 2.337 2.801 . 0 0 "[ . 1 . 2 .]" 1
51 1 12 GLY H 1 15 ASP HB2 3.700 . 5.400 4.416 3.210 5.454 0.054 5 0 "[ . 1 . 2 .]" 1
52 1 12 GLY H 1 15 ASP HB3 3.600 . 5.200 4.466 3.746 5.352 0.152 21 0 "[ . 1 . 2 .]" 1
53 1 12 GLY HA2 1 13 SER H 2.500 . 3.300 2.182 2.148 2.222 . 0 0 "[ . 1 . 2 .]" 1
54 1 12 GLY HA3 1 13 SER H 3.300 . 4.700 3.170 3.051 3.375 . 0 0 "[ . 1 . 2 .]" 1
55 1 13 SER H 1 13 SER QB 2.500 . 3.300 2.569 2.234 2.737 . 0 0 "[ . 1 . 2 .]" 1
56 1 13 SER HA 1 13 SER QB 2.400 . 3.100 2.278 2.174 2.368 . 0 0 "[ . 1 . 2 .]" 1
57 1 13 SER HA 1 14 LYS H 3.700 . 5.400 3.539 3.483 3.570 . 0 0 "[ . 1 . 2 .]" 1
58 1 13 SER HA 1 30 LYS HA 2.600 . 6.000 4.030 2.868 4.984 . 0 0 "[ . 1 . 2 .]" 1
59 1 13 SER HA 1 31 CYS QB 3.100 . 4.300 3.884 3.009 4.268 . 0 0 "[ . 1 . 2 .]" 1
60 1 13 SER QB 1 30 LYS H 3.400 . 6.000 5.336 4.369 5.995 . 0 0 "[ . 1 . 2 .]" 1
61 1 13 SER QB 1 30 LYS HA 2.800 . 3.800 3.171 2.077 3.864 0.064 17 0 "[ . 1 . 2 .]" 1
62 1 14 LYS H 1 14 LYS HA 2.600 . 3.500 2.810 2.770 2.857 . 0 0 "[ . 1 . 2 .]" 1
63 1 14 LYS H 1 14 LYS HB2 3.500 . 5.000 3.143 2.347 3.620 . 0 0 "[ . 1 . 2 .]" 1
64 1 14 LYS H 1 14 LYS HB3 2.200 . 2.800 2.982 2.369 3.606 0.806 19 10 "[** * *- 1 * . *+2 ** .]" 1
65 1 14 LYS H 1 14 LYS QG 2.400 . 3.100 2.134 1.835 2.386 . 0 0 "[ . 1 . 2 .]" 1
66 1 14 LYS H 1 15 ASP H 2.800 . 3.800 2.612 2.427 2.737 . 0 0 "[ . 1 . 2 .]" 1
67 1 14 LYS HA 1 14 LYS HB2 2.300 . 3.000 2.666 2.346 3.013 0.013 1 0 "[ . 1 . 2 .]" 1
68 1 14 LYS HA 1 14 LYS QG 3.100 . 4.300 3.023 2.367 3.403 . 0 0 "[ . 1 . 2 .]" 1
69 1 14 LYS HA 1 15 ASP H 3.800 . 5.600 3.457 3.365 3.506 . 0 0 "[ . 1 . 2 .]" 1
70 1 14 LYS HA 1 17 TYR H 3.500 . 5.000 3.429 2.817 3.852 . 0 0 "[ . 1 . 2 .]" 1
71 1 14 LYS HB2 1 15 ASP H 4.200 . 6.000 3.531 2.523 4.165 . 0 0 "[ . 1 . 2 .]" 1
72 1 14 LYS HB3 1 15 ASP H 4.800 . 6.000 4.006 3.592 4.287 . 0 0 "[ . 1 . 2 .]" 1
73 1 14 LYS QG 1 15 ASP H 3.100 . 4.300 3.115 2.129 4.342 0.042 18 0 "[ . 1 . 2 .]" 1
74 1 15 ASP H 1 15 ASP HA 2.900 . 4.000 2.874 2.820 2.912 . 0 0 "[ . 1 . 2 .]" 1
75 1 15 ASP H 1 15 ASP HB2 2.400 . 3.100 2.458 2.254 2.839 . 0 0 "[ . 1 . 2 .]" 1
76 1 15 ASP H 1 15 ASP HB3 3.500 . 5.000 3.022 2.429 3.597 . 0 0 "[ . 1 . 2 .]" 1
77 1 15 ASP H 1 16 CYS H 2.500 . 3.300 2.418 2.170 2.624 . 0 0 "[ . 1 . 2 .]" 1
78 1 15 ASP HA 1 15 ASP HB2 2.600 . 3.500 2.741 2.421 3.032 . 0 0 "[ . 1 . 2 .]" 1
79 1 15 ASP HA 1 15 ASP HB3 2.600 . 3.500 2.836 2.456 3.038 . 0 0 "[ . 1 . 2 .]" 1
80 1 15 ASP HA 1 16 CYS H 3.600 . 5.200 3.520 3.417 3.560 . 0 0 "[ . 1 . 2 .]" 1
81 1 15 ASP HB2 1 16 CYS H 4.100 . 6.000 3.350 2.464 3.952 . 0 0 "[ . 1 . 2 .]" 1
82 1 16 CYS H 1 16 CYS HA 2.900 . 3.900 2.851 2.793 2.924 . 0 0 "[ . 1 . 2 .]" 1
83 1 16 CYS H 1 16 CYS HB2 2.300 . 3.000 2.469 2.162 2.666 . 0 0 "[ . 1 . 2 .]" 1
84 1 16 CYS H 1 16 CYS HB3 3.300 . 4.700 3.259 2.480 3.627 . 0 0 "[ . 1 . 2 .]" 1
85 1 16 CYS H 1 17 TYR H 2.200 . 2.800 2.557 2.267 2.789 . 0 0 "[ . 1 . 2 .]" 1
86 1 16 CYS HA 1 16 CYS HB3 2.400 . 3.100 2.667 2.429 3.030 . 0 0 "[ . 1 . 2 .]" 1
87 1 16 CYS HA 1 17 TYR H 3.500 . 5.000 3.469 3.386 3.533 . 0 0 "[ . 1 . 2 .]" 1
88 1 16 CYS HA 1 19 PRO QD 2.800 . 3.800 2.363 2.009 2.785 . 0 0 "[ . 1 . 2 .]" 1
89 1 16 CYS HA 1 19 PRO HG3 3.900 . 5.800 4.269 3.778 4.798 . 0 0 "[ . 1 . 2 .]" 1
90 1 16 CYS HA 1 20 CYS H 4.200 . 6.000 4.003 3.813 4.202 . 0 0 "[ . 1 . 2 .]" 1
91 1 16 CYS HB2 1 17 TYR H 3.300 . 4.700 3.420 2.794 4.315 . 0 0 "[ . 1 . 2 .]" 1
92 1 16 CYS HB3 1 17 TYR H 3.200 . 4.500 3.711 3.103 4.121 . 0 0 "[ . 1 . 2 .]" 1
93 1 16 CYS HB3 1 36 CYS HB2 2.700 . 6.000 3.629 2.466 5.490 . 0 0 "[ . 1 . 2 .]" 1
94 1 17 TYR H 1 17 TYR HA 2.800 . 3.800 2.771 2.707 2.801 . 0 0 "[ . 1 . 2 .]" 1
95 1 17 TYR H 1 17 TYR HB2 2.400 . 3.100 2.414 2.145 2.571 . 0 0 "[ . 1 . 2 .]" 1
96 1 17 TYR H 1 17 TYR HB3 4.100 . 6.000 3.590 3.456 3.623 . 0 0 "[ . 1 . 2 .]" 1
97 1 17 TYR H 1 18 ALA H 2.900 . 3.900 2.872 2.733 3.194 . 0 0 "[ . 1 . 2 .]" 1
98 1 17 TYR H 1 19 PRO QD 3.600 . 5.200 3.670 3.461 3.901 . 0 0 "[ . 1 . 2 .]" 1
99 1 17 TYR HA 1 17 TYR HB2 2.900 . 4.000 3.014 2.956 3.024 . 0 0 "[ . 1 . 2 .]" 1
100 1 17 TYR HA 1 17 TYR HB3 2.600 . 3.500 2.576 2.511 2.750 . 0 0 "[ . 1 . 2 .]" 1
101 1 17 TYR HA 1 18 ALA H 3.900 . 5.800 3.541 3.504 3.566 . 0 0 "[ . 1 . 2 .]" 1
102 1 17 TYR HA 1 27 PRO HA 3.000 . 4.100 3.462 3.037 3.989 . 0 0 "[ . 1 . 2 .]" 1
103 1 17 TYR HB2 1 18 ALA H 2.400 . 3.100 2.611 2.199 2.905 . 0 0 "[ . 1 . 2 .]" 1
104 1 17 TYR HB3 1 18 ALA H 3.600 . 5.200 3.415 2.998 3.782 . 0 0 "[ . 1 . 2 .]" 1
105 1 18 ALA H 1 18 ALA HA 2.600 . 3.500 2.807 2.767 2.843 . 0 0 "[ . 1 . 2 .]" 1
106 1 18 ALA H 1 19 PRO HB2 4.400 . 6.000 5.474 5.130 5.841 . 0 0 "[ . 1 . 2 .]" 1
107 1 18 ALA H 1 19 PRO QD 2.400 . 3.100 2.460 2.300 2.547 . 0 0 "[ . 1 . 2 .]" 1
108 1 19 PRO HA 1 19 PRO HB3 2.200 . 2.800 2.286 2.256 2.331 . 0 0 "[ . 1 . 2 .]" 1
109 1 19 PRO HA 1 19 PRO QD 3.200 . 4.500 3.375 3.293 3.477 . 0 0 "[ . 1 . 2 .]" 1
110 1 19 PRO HA 1 19 PRO HG2 4.200 . 6.000 3.931 3.872 4.056 . 0 0 "[ . 1 . 2 .]" 1
111 1 19 PRO HA 1 19 PRO HG3 2.700 . 3.600 2.996 2.879 3.293 . 0 0 "[ . 1 . 2 .]" 1
112 1 19 PRO HA 1 22 LYS H 3.600 . 5.200 3.432 3.145 3.615 . 0 0 "[ . 1 . 2 .]" 1
113 1 19 PRO HA 1 22 LYS HB2 3.200 . 4.500 3.076 2.116 3.694 . 0 0 "[ . 1 . 2 .]" 1
114 1 19 PRO HA 1 22 LYS HB3 2.700 . 3.600 2.814 2.050 3.906 0.306 25 0 "[ . 1 . 2 .]" 1
115 1 19 PRO HB2 1 19 PRO QD 3.700 . 5.400 2.852 2.801 2.890 . 0 0 "[ . 1 . 2 .]" 1
116 1 19 PRO HB2 1 19 PRO HG2 2.400 . 3.100 2.311 2.286 2.323 . 0 0 "[ . 1 . 2 .]" 1
117 1 19 PRO HB2 1 19 PRO HG3 2.700 . 3.600 2.986 2.961 2.994 . 0 0 "[ . 1 . 2 .]" 1
118 1 19 PRO HB2 1 20 CYS H 2.400 . 3.100 2.620 2.362 3.123 0.023 21 0 "[ . 1 . 2 .]" 1
119 1 19 PRO HB3 1 19 PRO QD 3.500 . 5.000 3.504 3.480 3.525 . 0 0 "[ . 1 . 2 .]" 1
120 1 19 PRO HB3 1 19 PRO HG2 2.600 . 3.400 2.650 2.605 2.711 . 0 0 "[ . 1 . 2 .]" 1
121 1 19 PRO HB3 1 22 LYS HB2 2.200 . 6.000 5.251 3.933 5.958 . 0 0 "[ . 1 . 2 .]" 1
122 1 19 PRO QD 1 19 PRO HG2 2.400 . 3.100 2.171 2.158 2.182 . 0 0 "[ . 1 . 2 .]" 1
123 1 19 PRO QD 1 19 PRO HG3 2.400 . 3.200 2.215 2.200 2.235 . 0 0 "[ . 1 . 2 .]" 1
124 1 19 PRO QD 1 20 CYS H 2.900 . 3.900 2.679 2.078 2.952 . 0 0 "[ . 1 . 2 .]" 1
125 1 19 PRO HG2 1 20 CYS H 5.200 . 6.000 4.000 3.866 4.178 . 0 0 "[ . 1 . 2 .]" 1
126 1 19 PRO HG3 1 20 CYS H 3.600 . 5.200 4.537 4.388 4.637 . 0 0 "[ . 1 . 2 .]" 1
127 1 20 CYS H 1 20 CYS HA 2.500 . 3.300 2.824 2.799 2.862 . 0 0 "[ . 1 . 2 .]" 1
128 1 20 CYS H 1 20 CYS HB2 2.100 . 2.700 2.514 2.295 2.672 . 0 0 "[ . 1 . 2 .]" 1
129 1 20 CYS H 1 20 CYS HB3 3.700 . 5.400 2.696 2.397 3.600 . 0 0 "[ . 1 . 2 .]" 1
130 1 20 CYS H 1 21 ARG H 2.600 . 3.400 2.693 2.553 2.773 . 0 0 "[ . 1 . 2 .]" 1
131 1 20 CYS HA 1 20 CYS HB2 2.800 . 3.800 2.545 2.400 3.019 . 0 0 "[ . 1 . 2 .]" 1
132 1 20 CYS HA 1 20 CYS HB3 2.800 . 3.700 2.957 2.546 3.038 . 0 0 "[ . 1 . 2 .]" 1
133 1 20 CYS HA 1 21 ARG H 4.100 . 6.000 3.554 3.523 3.579 . 0 0 "[ . 1 . 2 .]" 1
134 1 20 CYS HA 1 23 GLN H 3.800 . 5.600 3.408 3.003 3.738 . 0 0 "[ . 1 . 2 .]" 1
135 1 20 CYS HA 1 23 GLN QB 2.800 . 3.700 2.740 2.121 3.531 . 0 0 "[ . 1 . 2 .]" 1
136 1 20 CYS HB2 1 21 ARG H 3.400 . 4.900 3.674 2.666 3.950 . 0 0 "[ . 1 . 2 .]" 1
137 1 20 CYS HB2 1 38 CYS HB3 3.100 . 6.000 4.713 3.953 4.934 . 0 0 "[ . 1 . 2 .]" 1
138 1 20 CYS HB3 1 21 ARG H 3.700 . 5.400 2.690 2.224 3.702 . 0 0 "[ . 1 . 2 .]" 1
139 1 21 ARG H 1 21 ARG HA 2.700 . 3.600 2.834 2.810 2.853 . 0 0 "[ . 1 . 2 .]" 1
140 1 21 ARG H 1 21 ARG HB2 2.400 . 3.100 2.517 2.358 2.711 . 0 0 "[ . 1 . 2 .]" 1
141 1 21 ARG H 1 21 ARG HB3 2.400 . 3.100 2.524 2.333 2.688 . 0 0 "[ . 1 . 2 .]" 1
142 1 21 ARG H 1 21 ARG HG2 5.200 . 6.000 4.442 4.330 4.536 . 0 0 "[ . 1 . 2 .]" 1
143 1 21 ARG H 1 21 ARG HG3 4.600 . 6.000 4.478 4.340 4.566 . 0 0 "[ . 1 . 2 .]" 1
144 1 21 ARG H 1 22 LYS H 2.600 . 3.500 2.610 2.501 2.709 . 0 0 "[ . 1 . 2 .]" 1
145 1 21 ARG H 1 27 PRO HA 3.100 . 4.300 3.048 2.429 4.056 . 0 0 "[ . 1 . 2 .]" 1
146 1 21 ARG HA 1 21 ARG HB2 2.400 . 3.100 2.465 2.367 2.560 . 0 0 "[ . 1 . 2 .]" 1
147 1 21 ARG HA 1 21 ARG HB3 2.800 . 3.800 3.026 3.015 3.037 . 0 0 "[ . 1 . 2 .]" 1
148 1 21 ARG HA 1 21 ARG HG2 2.800 . 3.800 2.977 2.353 3.306 . 0 0 "[ . 1 . 2 .]" 1
149 1 21 ARG HA 1 21 ARG HG3 2.900 . 3.900 2.767 2.454 3.658 . 0 0 "[ . 1 . 2 .]" 1
150 1 21 ARG HA 1 22 LYS H 4.100 . 6.000 3.536 3.513 3.555 . 0 0 "[ . 1 . 2 .]" 1
151 1 21 ARG HA 1 24 THR H 4.300 . 6.000 3.850 3.575 4.097 . 0 0 "[ . 1 . 2 .]" 1
152 1 21 ARG HA 1 25 GLY H 2.800 . 3.800 2.712 2.434 3.073 . 0 0 "[ . 1 . 2 .]" 1
153 1 21 ARG HA 1 26 CYS H 2.600 . 3.400 3.140 2.743 3.520 0.120 17 0 "[ . 1 . 2 .]" 1
154 1 21 ARG HB2 1 21 ARG QD 2.900 . 3.900 2.710 2.303 3.557 . 0 0 "[ . 1 . 2 .]" 1
155 1 21 ARG HB2 1 21 ARG HE 4.100 . 6.000 3.701 2.348 4.630 . 0 0 "[ . 1 . 2 .]" 1
156 1 21 ARG HB2 1 21 ARG HG2 2.900 . 4.000 2.941 2.559 3.021 . 0 0 "[ . 1 . 2 .]" 1
157 1 21 ARG HB2 1 22 LYS H 4.300 . 6.000 3.836 3.704 3.981 . 0 0 "[ . 1 . 2 .]" 1
158 1 21 ARG HB3 1 21 ARG QD 2.700 . 3.600 2.532 2.230 3.044 . 0 0 "[ . 1 . 2 .]" 1
159 1 21 ARG HB3 1 21 ARG HE 3.900 . 5.800 3.489 2.036 4.612 . 0 0 "[ . 1 . 2 .]" 1
160 1 21 ARG HB3 1 22 LYS H 2.600 . 3.500 2.593 2.398 2.791 . 0 0 "[ . 1 . 2 .]" 1
161 1 21 ARG QD 1 21 ARG HG3 2.600 . 3.400 2.310 2.155 2.418 . 0 0 "[ . 1 . 2 .]" 1
162 1 21 ARG HE 1 21 ARG HG2 4.200 . 6.000 2.959 2.362 3.795 . 0 0 "[ . 1 . 2 .]" 1
163 1 21 ARG HE 1 21 ARG HG3 4.000 . 6.000 2.835 2.330 3.751 . 0 0 "[ . 1 . 2 .]" 1
164 1 21 ARG HG2 1 26 CYS HA 4.300 . 6.000 5.031 2.822 6.151 0.151 7 0 "[ . 1 . 2 .]" 1
165 1 22 LYS H 1 22 LYS HA 3.000 . 4.100 2.818 2.755 2.852 . 0 0 "[ . 1 . 2 .]" 1
166 1 22 LYS H 1 22 LYS HB2 2.500 . 3.300 2.385 2.071 2.598 . 0 0 "[ . 1 . 2 .]" 1
167 1 22 LYS H 1 22 LYS HB3 2.700 . 3.600 2.782 2.328 3.568 . 0 0 "[ . 1 . 2 .]" 1
168 1 22 LYS H 1 23 GLN H 3.500 . 5.000 2.648 2.499 2.878 . 0 0 "[ . 1 . 2 .]" 1
169 1 22 LYS HA 1 22 LYS HB2 2.400 . 3.100 2.606 2.394 3.020 . 0 0 "[ . 1 . 2 .]" 1
170 1 22 LYS HA 1 22 LYS HB3 2.900 . 4.000 2.939 2.516 3.033 . 0 0 "[ . 1 . 2 .]" 1
171 1 22 LYS HA 1 23 GLN H 4.300 . 6.000 3.512 3.431 3.560 . 0 0 "[ . 1 . 2 .]" 1
172 1 22 LYS HB2 1 23 GLN H 4.600 . 6.000 3.704 2.712 4.102 . 0 0 "[ . 1 . 2 .]" 1
173 1 22 LYS HB3 1 23 GLN H 2.900 . 3.900 2.969 2.539 3.752 . 0 0 "[ . 1 . 2 .]" 1
174 1 23 GLN H 1 23 GLN QB 2.500 . 3.300 2.280 2.116 2.419 . 0 0 "[ . 1 . 2 .]" 1
175 1 23 GLN H 1 23 GLN QG 4.700 . 6.000 3.388 2.349 4.051 . 0 0 "[ . 1 . 2 .]" 1
176 1 23 GLN H 1 24 THR H 3.200 . 4.500 2.662 2.371 2.881 . 0 0 "[ . 1 . 2 .]" 1
177 1 23 GLN HA 1 23 GLN QB 2.400 . 3.100 2.377 2.295 2.531 . 0 0 "[ . 1 . 2 .]" 1
178 1 23 GLN HA 1 23 GLN QG 3.500 . 4.700 2.528 2.196 3.101 . 0 0 "[ . 1 . 2 .]" 1
179 1 23 GLN HA 1 24 THR H 3.600 . 5.300 3.583 3.552 3.596 . 0 0 "[ . 1 . 2 .]" 1
180 1 23 GLN QB 1 23 GLN QG 2.300 . 3.000 2.054 1.959 2.091 . 0 0 "[ . 1 . 2 .]" 1
181 1 23 GLN QB 1 24 THR H 2.900 . 3.900 2.279 2.050 2.548 . 0 0 "[ . 1 . 2 .]" 1
182 1 24 THR H 1 24 THR HB 3.500 . 5.100 3.449 2.690 3.685 . 0 0 "[ . 1 . 2 .]" 1
183 1 24 THR H 1 25 GLY H 2.900 . 3.900 2.361 2.164 2.534 . 0 0 "[ . 1 . 2 .]" 1
184 1 24 THR HA 1 24 THR HB 2.500 . 3.300 2.465 2.348 2.536 . 0 0 "[ . 1 . 2 .]" 1
185 1 24 THR HB 1 40 GLY HA2 2.600 . 6.000 4.327 3.190 5.844 . 0 0 "[ . 1 . 2 .]" 1
186 1 25 GLY H 1 25 GLY HA2 2.200 . 2.800 2.414 2.301 2.558 . 0 0 "[ . 1 . 2 .]" 1
187 1 25 GLY H 1 25 GLY HA3 2.900 . 3.900 2.957 2.883 2.975 . 0 0 "[ . 1 . 2 .]" 1
188 1 25 GLY HA2 1 26 CYS H 3.300 . 4.700 3.448 3.342 3.562 . 0 0 "[ . 1 . 2 .]" 1
189 1 25 GLY HA3 1 26 CYS H 3.000 . 4.200 3.049 2.772 3.224 . 0 0 "[ . 1 . 2 .]" 1
190 1 26 CYS H 1 26 CYS HA 2.900 . 3.900 2.918 2.850 2.941 . 0 0 "[ . 1 . 2 .]" 1
191 1 26 CYS H 1 26 CYS HB2 2.600 . 3.500 2.576 2.370 3.599 0.099 7 0 "[ . 1 . 2 .]" 1
192 1 26 CYS H 1 26 CYS HB3 3.200 . 4.500 3.467 2.388 3.804 . 0 0 "[ . 1 . 2 .]" 1
193 1 26 CYS HA 1 26 CYS HB3 2.500 . 3.300 2.560 2.278 3.010 . 0 0 "[ . 1 . 2 .]" 1
194 1 26 CYS HA 1 27 PRO HD2 2.400 . 3.100 2.434 2.211 2.709 . 0 0 "[ . 1 . 2 .]" 1
195 1 26 CYS HA 1 27 PRO HD3 2.300 . 3.000 2.100 1.971 2.234 . 0 0 "[ . 1 . 2 .]" 1
196 1 26 CYS HB2 1 28 ASN H 3.800 . 5.600 3.738 3.072 4.491 . 0 0 "[ . 1 . 2 .]" 1
197 1 26 CYS HB2 1 41 CYS H 4.200 . 6.000 4.406 2.111 5.295 . 0 0 "[ . 1 . 2 .]" 1
198 1 26 CYS HB2 1 41 CYS HA 3.200 . 4.500 3.507 1.922 4.565 0.065 7 0 "[ . 1 . 2 .]" 1
199 1 26 CYS HB3 1 28 ASN H 3.100 . 4.300 3.143 2.734 4.717 0.417 7 0 "[ . 1 . 2 .]" 1
200 1 26 CYS HB3 1 41 CYS HA 3.800 . 5.600 4.298 2.587 5.639 0.039 15 0 "[ . 1 . 2 .]" 1
201 1 27 PRO HA 1 27 PRO QG 3.200 . 4.500 3.507 3.481 3.523 . 0 0 "[ . 1 . 2 .]" 1
202 1 27 PRO HA 1 28 ASN H 3.200 . 4.500 3.192 2.989 3.496 . 0 0 "[ . 1 . 2 .]" 1
203 1 27 PRO QB 1 27 PRO HD2 3.200 . 4.400 3.496 3.469 3.514 . 0 0 "[ . 1 . 2 .]" 1
204 1 27 PRO QB 1 27 PRO HD3 2.900 . 3.900 2.951 2.796 3.052 . 0 0 "[ . 1 . 2 .]" 1
205 1 27 PRO QB 1 27 PRO QG 1.800 . 2.200 1.974 1.960 1.992 . 0 0 "[ . 1 . 2 .]" 1
206 1 27 PRO QB 1 28 ASN H 4.000 . 6.000 3.874 3.371 4.020 . 0 0 "[ . 1 . 2 .]" 1
207 1 27 PRO HD2 1 27 PRO QG 2.600 . 3.500 2.180 2.152 2.190 . 0 0 "[ . 1 . 2 .]" 1
208 1 27 PRO HD2 1 28 ASN H 6.000 . 6.000 3.067 2.400 3.610 . 0 0 "[ . 1 . 2 .]" 1
209 1 27 PRO HD3 1 27 PRO QG 2.500 . 3.300 2.207 2.185 2.228 . 0 0 "[ . 1 . 2 .]" 1
210 1 27 PRO HD3 1 28 ASN H 3.600 . 5.200 4.135 3.737 4.474 . 0 0 "[ . 1 . 2 .]" 1
211 1 27 PRO QG 1 28 ASN H 2.700 . 3.600 3.537 2.533 3.830 0.230 21 0 "[ . 1 . 2 .]" 1
212 1 28 ASN H 1 28 ASN HA 2.600 . 3.400 2.889 2.736 2.948 . 0 0 "[ . 1 . 2 .]" 1
213 1 28 ASN H 1 28 ASN HB2 2.800 . 3.800 2.625 2.331 3.734 . 0 0 "[ . 1 . 2 .]" 1
214 1 28 ASN H 1 28 ASN HB3 3.200 . 4.500 3.460 2.497 3.704 . 0 0 "[ . 1 . 2 .]" 1
215 1 28 ASN HA 1 29 ALA H 2.100 . 2.600 2.180 2.098 2.358 . 0 0 "[ . 1 . 2 .]" 1
216 1 28 ASN HB2 1 29 ALA H 4.300 . 6.000 4.365 3.653 4.541 . 0 0 "[ . 1 . 2 .]" 1
217 1 28 ASN HB3 1 29 ALA H 4.200 . 6.000 3.896 3.028 4.445 . 0 0 "[ . 1 . 2 .]" 1
218 1 29 ALA H 1 29 ALA HA 2.400 . 3.100 2.930 2.890 2.958 . 0 0 "[ . 1 . 2 .]" 1
219 1 29 ALA HA 1 30 LYS H 2.200 . 2.800 2.287 2.147 2.457 . 0 0 "[ . 1 . 2 .]" 1
220 1 29 ALA HA 1 38 CYS HA 2.900 . 3.900 2.106 1.830 2.398 0.070 7 0 "[ . 1 . 2 .]" 1
221 1 30 LYS H 1 30 LYS HB2 2.600 . 3.400 3.194 2.587 3.434 0.034 16 0 "[ . 1 . 2 .]" 1
222 1 30 LYS H 1 30 LYS HB3 3.000 . 4.100 2.980 2.645 3.858 . 0 0 "[ . 1 . 2 .]" 1
223 1 30 LYS H 1 30 LYS QD 3.900 . 5.800 4.775 4.080 5.290 . 0 0 "[ . 1 . 2 .]" 1
224 1 30 LYS H 1 37 LYS H 2.900 . 3.900 3.262 2.712 3.727 . 0 0 "[ . 1 . 2 .]" 1
225 1 30 LYS H 1 38 CYS HA 4.500 . 6.000 3.500 3.195 3.831 . 0 0 "[ . 1 . 2 .]" 1
226 1 30 LYS HA 1 30 LYS HB2 2.700 . 3.600 2.551 2.408 3.029 . 0 0 "[ . 1 . 2 .]" 1
227 1 30 LYS HA 1 30 LYS HB3 2.900 . 4.000 2.970 2.455 3.038 . 0 0 "[ . 1 . 2 .]" 1
228 1 30 LYS HA 1 30 LYS QD 3.600 . 5.200 3.478 1.942 4.272 0.058 13 0 "[ . 1 . 2 .]" 1
229 1 30 LYS HA 1 31 CYS QB 6.000 . 6.000 4.164 3.978 4.314 . 0 0 "[ . 1 . 2 .]" 1
230 1 32 ILE H 1 32 ILE HA 3.000 . 4.100 2.946 2.914 2.965 . 0 0 "[ . 1 . 2 .]" 1
231 1 32 ILE H 1 32 ILE HB 2.900 . 4.000 3.570 2.408 3.950 . 0 0 "[ . 1 . 2 .]" 1
232 1 32 ILE H 1 32 ILE QG 3.800 . 5.600 2.434 1.953 3.712 0.047 3 0 "[ . 1 . 2 .]" 1
233 1 32 ILE H 1 33 ASN H 4.900 . 6.000 4.354 3.995 4.475 . 0 0 "[ . 1 . 2 .]" 1
234 1 32 ILE H 1 35 SER H 2.800 . 3.800 3.179 2.536 3.745 . 0 0 "[ . 1 . 2 .]" 1
235 1 32 ILE H 1 36 CYS HA 3.800 . 5.600 3.195 2.640 3.680 . 0 0 "[ . 1 . 2 .]" 1
236 1 32 ILE HA 1 32 ILE HB 2.800 . 3.800 2.608 2.436 3.030 . 0 0 "[ . 1 . 2 .]" 1
237 1 32 ILE HA 1 33 ASN H 2.100 . 2.600 2.253 2.069 2.652 0.052 3 0 "[ . 1 . 2 .]" 1
238 1 32 ILE HB 1 32 ILE QG 2.500 . 3.300 2.403 2.328 2.477 . 0 0 "[ . 1 . 2 .]" 1
239 1 32 ILE HB 1 33 ASN H 4.200 . 6.000 3.051 2.128 4.489 . 0 0 "[ . 1 . 2 .]" 1
240 1 32 ILE HB 1 34 LYS H 4.600 . 6.000 4.999 3.459 5.751 . 0 0 "[ . 1 . 2 .]" 1
241 1 32 ILE QG 1 33 ASN H 6.000 . 6.000 4.059 3.059 4.814 . 0 0 "[ . 1 . 2 .]" 1
242 1 32 ILE QG 1 37 LYS H 5.800 . 6.000 3.563 2.958 5.435 . 0 0 "[ . 1 . 2 .]" 1
243 1 33 ASN H 1 33 ASN HA 2.200 . 2.800 2.419 2.234 2.833 0.033 18 0 "[ . 1 . 2 .]" 1
244 1 33 ASN H 1 33 ASN HB2 3.400 . 4.800 3.322 2.468 3.992 . 0 0 "[ . 1 . 2 .]" 1
245 1 33 ASN H 1 34 LYS H 3.000 . 4.100 3.075 2.546 4.248 0.148 3 0 "[ . 1 . 2 .]" 1
246 1 33 ASN H 1 35 SER H 4.700 . 6.000 4.358 3.939 4.916 . 0 0 "[ . 1 . 2 .]" 1
247 1 33 ASN HA 1 33 ASN HB2 2.100 . 2.600 2.792 2.407 3.037 0.437 7 0 "[ . 1 . 2 .]" 1
248 1 33 ASN HA 1 34 LYS H 2.100 . 6.000 2.713 2.141 3.537 . 0 0 "[ . 1 . 2 .]" 1
249 1 34 LYS H 1 34 LYS HA 2.100 . 2.600 2.399 2.215 2.923 0.323 22 0 "[ . 1 . 2 .]" 1
250 1 34 LYS H 1 34 LYS HB2 3.900 . 5.800 3.522 2.745 4.094 . 0 0 "[ . 1 . 2 .]" 1
251 1 34 LYS H 1 34 LYS HB3 4.100 . 6.000 3.774 2.485 4.142 . 0 0 "[ . 1 . 2 .]" 1
252 1 34 LYS H 1 34 LYS QG 3.600 . 5.200 3.452 2.737 4.390 . 0 0 "[ . 1 . 2 .]" 1
253 1 34 LYS H 1 35 SER H 2.900 . 4.000 2.578 1.845 3.123 . 0 0 "[ . 1 . 2 .]" 1
254 1 34 LYS HA 1 34 LYS HB2 2.800 . 3.800 2.790 2.404 3.022 . 0 0 "[ . 1 . 2 .]" 1
255 1 34 LYS HA 1 34 LYS HB3 2.500 . 3.300 2.681 2.375 3.039 . 0 0 "[ . 1 . 2 .]" 1
256 1 34 LYS HA 1 34 LYS QE 6.000 . 6.000 4.414 3.830 4.898 . 0 0 "[ . 1 . 2 .]" 1
257 1 34 LYS HA 1 34 LYS QG 2.600 . 3.400 2.540 2.263 3.373 . 0 0 "[ . 1 . 2 .]" 1
258 1 34 LYS HA 1 35 SER H 3.000 . 4.200 3.190 2.659 3.560 . 0 0 "[ . 1 . 2 .]" 1
259 1 34 LYS HB2 1 34 LYS QE 3.800 . 5.600 3.498 1.988 4.501 0.012 15 0 "[ . 1 . 2 .]" 1
260 1 34 LYS HB2 1 35 SER H 4.700 . 6.000 3.943 2.829 4.598 . 0 0 "[ . 1 . 2 .]" 1
261 1 34 LYS HB3 1 34 LYS QE 4.100 . 6.000 3.454 1.986 4.504 0.014 23 0 "[ . 1 . 2 .]" 1
262 1 34 LYS HB3 1 34 LYS QG 2.500 . 3.300 2.328 2.137 2.434 . 0 0 "[ . 1 . 2 .]" 1
263 1 34 LYS HB3 1 35 SER H 4.700 . 6.000 3.846 2.283 4.625 . 0 0 "[ . 1 . 2 .]" 1
264 1 35 SER H 1 35 SER HA 2.700 . 3.600 2.912 2.823 2.948 . 0 0 "[ . 1 . 2 .]" 1
265 1 35 SER H 1 35 SER HB2 2.900 . 3.900 3.200 2.498 3.969 0.069 23 0 "[ . 1 . 2 .]" 1
266 1 35 SER H 1 35 SER HB3 3.500 . 5.000 3.340 2.465 3.964 . 0 0 "[ . 1 . 2 .]" 1
267 1 35 SER HA 1 35 SER HB2 2.800 . 3.800 2.697 2.434 3.042 . 0 0 "[ . 1 . 2 .]" 1
268 1 35 SER HA 1 35 SER HB3 2.800 . 3.800 2.641 2.330 3.040 . 0 0 "[ . 1 . 2 .]" 1
269 1 35 SER HA 1 36 CYS H 2.200 . 2.800 2.252 2.133 2.559 . 0 0 "[ . 1 . 2 .]" 1
270 1 35 SER HB2 1 36 CYS H 4.100 . 6.000 3.777 2.119 4.527 . 0 0 "[ . 1 . 2 .]" 1
271 1 35 SER HB3 1 36 CYS H 3.600 . 5.200 3.690 2.347 4.424 . 0 0 "[ . 1 . 2 .]" 1
272 1 36 CYS H 1 36 CYS HA 2.800 . 3.800 2.898 2.841 2.943 . 0 0 "[ . 1 . 2 .]" 1
273 1 36 CYS H 1 36 CYS HB2 3.500 . 5.000 2.603 2.217 3.675 . 0 0 "[ . 1 . 2 .]" 1
274 1 36 CYS H 1 36 CYS HB3 3.500 . 5.000 3.148 2.402 3.658 . 0 0 "[ . 1 . 2 .]" 1
275 1 36 CYS HA 1 36 CYS HB2 2.500 . 3.300 2.765 2.424 3.023 . 0 0 "[ . 1 . 2 .]" 1
276 1 36 CYS HA 1 36 CYS HB3 3.000 . 4.100 2.689 2.320 3.025 . 0 0 "[ . 1 . 2 .]" 1
277 1 36 CYS HA 1 37 LYS H 2.000 . 2.500 2.179 2.119 2.284 . 0 0 "[ . 1 . 2 .]" 1
278 1 36 CYS HB2 1 37 LYS H 3.900 . 5.800 4.368 3.344 4.598 . 0 0 "[ . 1 . 2 .]" 1
279 1 36 CYS HB3 1 37 LYS H 6.000 . 6.000 4.024 3.107 4.483 . 0 0 "[ . 1 . 2 .]" 1
280 1 37 LYS H 1 37 LYS HA 3.000 . 4.100 2.930 2.873 2.960 . 0 0 "[ . 1 . 2 .]" 1
281 1 37 LYS H 1 37 LYS HB2 3.200 . 4.500 2.939 2.200 3.766 . 0 0 "[ . 1 . 2 .]" 1
282 1 37 LYS H 1 37 LYS HB3 2.700 . 3.600 2.733 2.381 3.584 . 0 0 "[ . 1 . 2 .]" 1
283 1 37 LYS H 1 37 LYS QD 4.000 . 6.000 4.439 2.982 5.030 . 0 0 "[ . 1 . 2 .]" 1
284 1 37 LYS H 1 37 LYS HE2 6.000 . 6.000 4.954 4.086 6.016 0.016 20 0 "[ . 1 . 2 .]" 1
285 1 37 LYS H 1 37 LYS HE3 6.000 . 6.000 5.241 4.316 5.926 . 0 0 "[ . 1 . 2 .]" 1
286 1 37 LYS HA 1 37 LYS HB2 2.500 . 3.300 2.504 2.353 3.010 . 0 0 "[ . 1 . 2 .]" 1
287 1 37 LYS HA 1 37 LYS HE2 6.000 . 6.000 4.998 4.200 6.183 0.183 16 0 "[ . 1 . 2 .]" 1
288 1 37 LYS HA 1 37 LYS HE3 6.000 . 6.000 4.883 3.892 5.990 . 0 0 "[ . 1 . 2 .]" 1
289 1 37 LYS HB3 1 38 CYS H 3.800 . 5.600 4.004 3.137 4.370 . 0 0 "[ . 1 . 2 .]" 1
290 1 37 LYS QD 1 37 LYS HE2 2.400 . 3.100 2.326 2.154 2.412 . 0 0 "[ . 1 . 2 .]" 1
291 1 37 LYS QD 1 37 LYS HE3 2.400 . 3.100 2.333 2.156 2.410 . 0 0 "[ . 1 . 2 .]" 1
292 1 38 CYS HA 1 38 CYS HB3 2.500 . 3.300 2.459 2.326 2.551 . 0 0 "[ . 1 . 2 .]" 1
293 1 38 CYS HA 1 39 TYR H 2.400 . 3.100 2.278 2.219 2.414 . 0 0 "[ . 1 . 2 .]" 1
294 1 39 TYR H 1 39 TYR HA 3.000 . 4.100 2.898 2.848 2.930 . 0 0 "[ . 1 . 2 .]" 1
295 1 39 TYR H 1 39 TYR HB2 2.300 . 3.000 2.427 2.062 2.657 . 0 0 "[ . 1 . 2 .]" 1
296 1 39 TYR H 1 39 TYR HB3 3.700 . 5.400 3.602 3.174 3.661 . 0 0 "[ . 1 . 2 .]" 1
297 1 39 TYR H 1 40 GLY H 2.600 . 3.400 2.627 2.262 3.049 . 0 0 "[ . 1 . 2 .]" 1
298 1 39 TYR HA 1 39 TYR HB3 2.600 . 3.400 2.516 2.380 2.904 . 0 0 "[ . 1 . 2 .]" 1
299 1 39 TYR HA 1 40 GLY H 3.500 . 5.100 3.250 2.980 3.447 . 0 0 "[ . 1 . 2 .]" 1
300 1 39 TYR HB2 1 40 GLY H 4.100 . 6.000 3.619 2.982 4.153 . 0 0 "[ . 1 . 2 .]" 1
301 1 39 TYR HB3 1 40 GLY H 4.500 . 6.000 4.245 3.934 4.527 . 0 0 "[ . 1 . 2 .]" 1
302 1 40 GLY H 1 40 GLY HA2 2.300 . 3.000 2.307 2.244 2.503 . 0 0 "[ . 1 . 2 .]" 1
303 1 40 GLY HA2 1 41 CYS H 2.600 . 3.500 2.685 2.121 3.552 0.052 15 0 "[ . 1 . 2 .]" 1
304 1 40 GLY HA3 1 41 CYS H 2.700 . 3.600 2.790 2.160 3.554 . 0 0 "[ . 1 . 2 .]" 1
305 1 41 CYS H 1 41 CYS HA 2.900 . 3.900 2.851 2.224 2.965 . 0 0 "[ . 1 . 2 .]" 1
306 1 41 CYS H 1 41 CYS HB2 2.500 . 3.300 3.199 2.570 3.729 0.429 7 0 "[ . 1 . 2 .]" 1
307 1 41 CYS H 1 41 CYS HB3 3.100 . 4.300 3.270 2.697 4.043 . 0 0 "[ . 1 . 2 .]" 1
308 1 41 CYS HA 1 41 CYS HB2 2.900 . 3.900 2.668 2.486 3.029 . 0 0 "[ . 1 . 2 .]" 1
309 1 41 CYS HA 1 41 CYS HB3 2.800 . 3.800 2.830 2.223 3.038 . 0 0 "[ . 1 . 2 .]" 1
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