NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
405999 |
1xf7   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xf7
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 617
_Distance_constraint_stats_list.Viol_count 1206
_Distance_constraint_stats_list.Viol_total 1811.099
_Distance_constraint_stats_list.Viol_max 0.238
_Distance_constraint_stats_list.Viol_rms 0.0107
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0375
_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 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 2 PRO 2.131 0.085 3 0 "[ . 1 . 2 . 3 . 4]"
1 3 PHE 0.666 0.056 6 0 "[ . 1 . 2 . 3 . 4]"
1 4 GLN 1.219 0.203 14 0 "[ . 1 . 2 . 3 . 4]"
1 5 CYS 9.823 0.136 25 0 "[ . 1 . 2 . 3 . 4]"
1 6 LYS 0.353 0.051 16 0 "[ . 1 . 2 . 3 . 4]"
1 7 THR 1.551 0.065 15 0 "[ . 1 . 2 . 3 . 4]"
1 8 CYS 5.204 0.238 10 0 "[ . 1 . 2 . 3 . 4]"
1 9 GLN 2.987 0.238 10 0 "[ . 1 . 2 . 3 . 4]"
1 10 ARG 2.165 0.073 2 0 "[ . 1 . 2 . 3 . 4]"
1 11 LYS 3.053 0.136 25 0 "[ . 1 . 2 . 3 . 4]"
1 12 PHE 8.510 0.085 3 0 "[ . 1 . 2 . 3 . 4]"
1 13 SER 0.124 0.027 24 0 "[ . 1 . 2 . 3 . 4]"
1 14 ARG 2.708 0.087 8 0 "[ . 1 . 2 . 3 . 4]"
1 15 SER 0.033 0.033 39 0 "[ . 1 . 2 . 3 . 4]"
1 16 ASP 2.488 0.114 29 0 "[ . 1 . 2 . 3 . 4]"
1 17 HIS 5.142 0.114 29 0 "[ . 1 . 2 . 3 . 4]"
1 18 LEU 2.727 0.066 16 0 "[ . 1 . 2 . 3 . 4]"
1 19 LYS 1.809 0.073 15 0 "[ . 1 . 2 . 3 . 4]"
1 20 THR 1.355 0.079 25 0 "[ . 1 . 2 . 3 . 4]"
1 21 HIS 5.316 0.084 18 0 "[ . 1 . 2 . 3 . 4]"
1 22 THR 10.424 0.157 11 0 "[ . 1 . 2 . 3 . 4]"
1 23 ARG 3.788 0.157 11 0 "[ . 1 . 2 . 3 . 4]"
1 24 THR 1.541 0.123 11 0 "[ . 1 . 2 . 3 . 4]"
1 25 HIS 3.398 0.133 37 0 "[ . 1 . 2 . 3 . 4]"
1 26 THR 1.972 0.117 11 0 "[ . 1 . 2 . 3 . 4]"
1 27 GLY 1.762 0.123 11 0 "[ . 1 . 2 . 3 . 4]"
1 28 GLU 2.481 0.165 19 0 "[ . 1 . 2 . 3 . 4]"
1 29 LYS 0.573 0.077 31 0 "[ . 1 . 2 . 3 . 4]"
2 1 ZN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
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 LYS CA 1 3 PHE CA 7.200 4.700 7.200 6.718 6.277 7.073 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 1 LYS HA 1 2 PRO HD2 3.400 . 3.400 2.537 2.011 3.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 1 LYS HA 1 2 PRO HD3 3.400 . 3.400 2.598 1.919 3.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 1 LYS HB2 1 2 PRO HD2 8.400 . 8.400 4.385 1.924 5.684 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 1 LYS HB2 1 2 PRO HD3 8.400 . 8.400 4.538 2.427 5.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 1 LYS HB3 1 2 PRO HD2 8.400 . 8.400 4.231 2.091 5.566 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 1 LYS HB3 1 2 PRO HD3 8.400 . 8.400 4.547 2.873 5.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 2 PRO CA 1 4 GLN CA 7.200 4.700 7.200 6.860 6.308 7.061 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 2 PRO HA 1 2 PRO HD2 20.000 3.400 20.000 3.995 3.833 4.140 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 2 PRO HA 1 2 PRO HD3 20.000 3.400 20.000 3.738 3.326 4.043 0.074 21 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 2 PRO HA 1 3 PHE H 3.400 . 3.400 2.181 2.010 2.368 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 2 PRO HA 1 3 PHE QD 4.300 . 4.300 3.082 2.775 3.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 2 PRO HA 1 3 PHE QE 5.000 . 5.000 4.581 4.172 4.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 2 PRO HA 1 12 PHE H 4.300 . 4.300 4.350 4.304 4.385 0.085 3 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 2 PRO HA 1 13 SER HA 4.300 . 4.300 2.825 2.261 3.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 2 PRO HB2 1 3 PHE H 4.300 . 4.300 3.068 2.362 3.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 2 PRO HB2 1 12 PHE H 6.000 . 6.000 4.578 3.337 5.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 2 PRO HB3 1 3 PHE H 4.300 . 4.300 3.315 2.700 4.020 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 2 PRO HB3 1 12 PHE H 6.000 . 6.000 4.678 3.831 5.800 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 2 PRO HD2 1 3 PHE H 6.700 . 6.700 5.359 4.943 5.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 2 PRO HD3 1 3 PHE H 6.700 . 6.700 5.565 5.283 5.784 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 3 PHE CA 1 5 CYS CA 7.200 4.700 7.200 7.062 6.824 7.237 0.037 9 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 3 PHE CG 1 15 SER HA 7.100 . 7.100 3.375 2.932 3.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 3 PHE CG 1 15 SER QB 7.100 . 7.100 3.929 3.331 4.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 3 PHE CZ 1 15 SER H 6.400 . 6.400 3.836 3.351 5.089 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 3 PHE CZ 1 15 SER HA 6.400 . 6.400 3.875 3.382 4.362 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 3 PHE CZ 1 15 SER QB 6.400 . 6.400 2.700 2.436 3.113 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 3 PHE H 1 3 PHE HB2 3.400 . 3.400 2.521 2.460 2.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 3 PHE H 1 3 PHE HB3 4.300 . 4.300 3.720 3.688 3.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 3 PHE H 1 3 PHE QD 3.400 . 3.400 2.840 2.603 3.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 3 PHE H 1 11 LYS HA 5.000 . 5.000 4.430 4.195 4.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 3 PHE H 1 12 PHE H 4.300 . 4.300 2.590 2.378 2.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 3 PHE H 1 12 PHE HB2 5.000 . 5.000 3.705 3.388 4.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 3 PHE H 1 13 SER HA 4.300 . 4.300 3.811 3.254 4.300 0.000 40 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 3 PHE HA 1 3 PHE QD 3.400 . 3.400 2.979 2.532 3.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 3 PHE HA 1 4 GLN H 3.400 . 3.400 2.365 2.181 2.489 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 3 PHE HA 1 4 GLN HA 20.000 3.400 20.000 4.508 4.428 4.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 3 PHE HA 1 18 LEU CD2 6.100 . 6.100 5.150 4.436 5.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 3 PHE HB2 1 3 PHE QD 3.400 . 3.400 2.453 2.345 2.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 3 PHE HB2 1 4 GLN H 6.000 . 6.000 3.931 3.714 4.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 3 PHE HB2 1 4 GLN HA 5.000 . 5.000 4.803 4.563 5.017 0.017 4 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 3 PHE HB2 1 12 PHE H 4.300 . 4.300 3.173 2.545 3.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 3 PHE HB2 1 12 PHE HB2 4.300 . 4.300 2.140 1.971 2.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 3 PHE HB2 1 12 PHE HB3 5.000 . 5.000 3.599 3.357 3.901 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 3 PHE HB2 1 18 LEU CD2 6.100 . 6.100 4.724 4.430 5.265 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 3 PHE HB2 1 18 LEU HB2 5.000 . 5.000 3.024 2.546 3.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 3 PHE HB3 1 3 PHE QD 3.400 . 3.400 2.400 2.319 2.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 3 PHE HB3 1 4 GLN H 6.000 . 6.000 2.796 2.468 3.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 3 PHE HB3 1 4 GLN HA 20.000 3.400 20.000 4.462 4.293 4.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 3 PHE HB3 1 11 LYS HA 20.000 3.400 20.000 5.238 4.739 5.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 3 PHE HB3 1 12 PHE H 4.300 . 4.300 4.245 3.746 4.356 0.056 6 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 3 PHE HB3 1 12 PHE HD2 20.000 3.400 20.000 3.769 3.404 4.103 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 3 PHE HB3 1 18 LEU CD1 6.100 . 6.100 3.884 3.375 4.421 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 3 PHE HB3 1 18 LEU CD2 5.400 . 5.400 3.195 2.889 3.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 3 PHE HB3 1 18 LEU HB2 4.300 . 4.300 2.543 2.134 3.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 3 PHE HB3 1 18 LEU HB3 4.300 . 4.300 3.635 3.108 4.282 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 3 PHE QD 1 4 GLN H 4.300 . 4.300 3.804 3.414 4.243 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 3 PHE QD 1 12 PHE HB2 5.000 . 5.000 3.900 3.535 4.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 3 PHE QD 1 13 SER HA 4.300 . 4.300 3.480 3.183 3.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 3 PHE QD 1 14 ARG HA 4.300 . 4.300 3.275 2.826 4.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 3 PHE QD 1 15 SER QB 5.000 . 5.000 3.453 3.026 3.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 3 PHE QD 1 18 LEU CD2 5.400 . 5.400 3.677 3.004 4.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 3 PHE QE 1 14 ARG HA 3.400 . 3.400 2.556 2.195 3.362 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 3 PHE QE 1 15 SER QB 3.400 . 3.400 2.390 2.127 2.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 3 PHE O 1 12 PHE H 15.000 . 15.000 1.945 1.872 2.289 0.028 27 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 3 PHE O 1 12 PHE N 15.000 2.200 15.000 2.857 2.612 3.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 4 GLN CA 1 6 LYS CA 7.200 4.700 7.200 6.365 5.844 6.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 4 GLN H 1 4 GLN HB2 3.400 . 3.400 3.198 2.602 3.376 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 4 GLN H 1 4 GLN HB3 3.400 . 3.400 2.780 2.515 3.068 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 4 GLN H 1 4 GLN HE21 20.000 3.400 20.000 6.383 5.559 6.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 4 GLN H 1 4 GLN HE22 20.000 3.400 20.000 6.986 6.293 7.429 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 4 GLN H 1 4 GLN HG2 20.000 2.700 20.000 4.708 4.432 5.065 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 4 GLN H 1 4 GLN HG3 20.000 2.700 20.000 4.686 4.403 4.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 4 GLN H 1 5 CYS H 5.000 . 5.000 4.431 4.358 4.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 4 GLN H 1 5 CYS HA 20.000 3.400 20.000 4.930 4.729 5.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 4 GLN H 1 18 LEU CD1 6.100 . 6.100 4.429 3.945 5.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 4 GLN H 1 18 LEU CD2 5.400 . 5.400 3.980 3.515 4.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 4 GLN HA 1 4 GLN HE21 5.000 . 5.000 4.221 2.900 4.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 4 GLN HA 1 5 CYS H 3.400 . 3.400 2.228 2.139 2.326 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 4 GLN HA 1 5 CYS HA 20.000 3.400 20.000 4.415 4.363 4.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 4 GLN HA 1 5 CYS HB2 5.000 . 5.000 4.496 4.333 4.649 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 4 GLN HA 1 5 CYS HB3 5.000 . 5.000 4.505 4.292 4.667 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 4 GLN HA 1 11 LYS H 5.000 . 5.000 4.765 4.576 4.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 4 GLN HA 1 11 LYS HA 3.400 . 3.400 2.152 1.920 2.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 4 GLN HA 1 11 LYS HB2 6.700 . 6.700 4.210 3.634 5.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 4 GLN HA 1 11 LYS HB3 6.700 . 6.700 4.027 3.249 5.153 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 4 GLN HA 1 12 PHE CZ 7.100 . 7.100 5.887 5.344 6.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 4 GLN HA 1 12 PHE H 5.000 . 5.000 3.576 3.190 3.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 4 GLN HA 1 12 PHE HD2 4.300 . 4.300 3.313 2.739 3.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 4 GLN HA 1 18 LEU CD1 7.900 . 7.900 4.362 3.895 5.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 4 GLN HA 1 18 LEU CD2 7.900 . 7.900 5.478 4.943 6.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 4 GLN HB2 1 5 CYS H 5.000 . 5.000 3.988 3.660 4.285 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 4 GLN HB2 1 9 GLN HA 6.000 . 6.000 5.570 5.198 6.002 0.002 7 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 4 GLN HB2 1 9 GLN HB2 8.400 . 8.400 8.060 7.616 8.429 0.029 23 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 4 GLN HB2 1 9 GLN HB3 8.400 . 8.400 6.671 6.072 8.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 4 GLN HB2 1 11 LYS HA 6.700 . 6.700 3.904 3.258 4.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 4 GLN HB3 1 5 CYS H 5.000 . 5.000 3.852 3.375 4.119 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 4 GLN HB3 1 9 GLN HA 6.000 . 6.000 5.440 4.948 5.815 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 4 GLN HB3 1 9 GLN HB2 8.400 . 8.400 8.178 7.605 8.444 0.044 22 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 4 GLN HB3 1 9 GLN HB3 8.400 . 8.400 6.904 6.172 8.428 0.028 11 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 4 GLN HB3 1 11 LYS HA 6.700 . 6.700 4.994 4.548 5.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 4 GLN HE21 1 9 GLN H 20.000 3.400 20.000 4.830 3.593 6.341 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 4 GLN HE21 1 9 GLN HG2 5.100 . 5.100 4.918 4.028 5.303 0.203 14 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 4 GLN HE21 1 9 GLN HG3 5.100 . 5.100 4.342 2.472 5.123 0.023 28 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 4 GLN HE21 1 9 GLN O 15.000 . 15.000 3.589 3.003 4.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 4 GLN HE21 1 11 LYS HB2 6.700 . 6.700 5.719 3.593 6.737 0.037 40 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 4 GLN HE21 1 11 LYS HB3 6.700 . 6.700 5.114 3.836 6.336 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 4 GLN HE22 1 5 CYS O 15.000 . 15.000 5.148 4.193 5.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 4 GLN HE22 1 9 GLN H 20.000 3.400 20.000 5.780 4.417 6.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 4 GLN HE22 1 9 GLN HA 4.300 . 4.300 3.624 2.692 4.340 0.040 37 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 4 GLN HE22 1 9 GLN HG2 6.000 . 6.000 5.130 3.855 6.007 0.007 23 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 4 GLN HE22 1 9 GLN HG3 6.000 . 6.000 4.522 2.917 5.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 4 GLN HG2 1 5 CYS H 6.000 . 6.000 3.047 1.831 4.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 4 GLN HG2 1 9 GLN H 6.700 . 6.700 5.216 4.277 6.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 4 GLN HG2 1 9 GLN HA 6.000 . 6.000 3.442 2.484 4.485 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 4 GLN HG3 1 5 CYS H 6.000 . 6.000 2.465 2.028 2.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 4 GLN HG3 1 9 GLN H 6.700 . 6.700 4.897 4.378 5.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 4 GLN HG3 1 9 GLN HA 6.000 . 6.000 3.140 2.708 4.015 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 4 GLN NE2 1 5 CYS O 15.000 2.200 15.000 4.437 3.495 5.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 4 GLN NE2 1 9 GLN O 15.000 2.200 15.000 3.988 3.161 5.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 5 CYS CA 1 7 THR CA 7.200 4.700 7.200 5.382 5.189 5.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 5 CYS H 1 5 CYS HA 4.300 2.200 4.300 2.974 2.947 2.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 5 CYS H 1 5 CYS HB2 3.400 . 3.400 2.869 2.727 3.029 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 5 CYS H 1 5 CYS HB3 3.400 . 3.400 2.397 2.311 2.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 5 CYS H 1 6 LYS H 5.000 . 5.000 4.414 4.051 4.566 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 5 CYS H 1 7 THR H 20.000 3.400 20.000 4.817 4.648 4.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 5 CYS H 1 8 CYS H 5.000 . 5.000 5.096 5.036 5.136 0.136 7 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 5 CYS H 1 9 GLN H 5.000 . 5.000 4.181 4.012 4.429 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 5 CYS H 1 9 GLN HA 4.300 . 4.300 3.451 2.884 3.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 5 CYS H 1 10 ARG H 4.300 . 4.300 2.712 2.523 2.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 5 CYS H 1 10 ARG HA 20.000 3.400 20.000 4.742 4.596 4.882 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 5 CYS H 1 10 ARG HB2 6.700 . 6.700 5.208 4.955 5.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 5 CYS H 1 10 ARG HB3 6.700 . 6.700 4.045 3.781 4.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 5 CYS H 1 10 ARG O 15.000 . 15.000 1.964 1.886 2.501 0.014 40 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 5 CYS H 1 11 LYS HA 3.400 . 3.400 3.472 3.408 3.536 0.136 25 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 5 CYS H 1 11 LYS HB2 6.700 . 6.700 5.739 5.054 6.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 5 CYS H 1 11 LYS HB3 6.700 . 6.700 5.397 4.621 6.229 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 5 CYS H 1 12 PHE H 20.000 3.400 20.000 5.334 5.123 5.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 5 CYS H 1 12 PHE HD2 4.300 . 4.300 3.968 3.740 4.315 0.015 3 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 5 CYS H 1 12 PHE HE2 4.300 . 4.300 3.472 3.060 4.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 5 CYS H 1 18 LEU CD1 5.400 . 5.400 4.137 3.809 4.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 5 CYS H 1 21 HIS HD2 6.000 . 6.000 5.448 5.226 5.716 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 5 CYS HA 1 5 CYS HB2 2.700 . 2.700 2.426 2.378 2.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 5 CYS HA 1 6 LYS H 3.400 . 3.400 2.177 2.098 2.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 5 CYS HA 1 6 LYS HA 20.000 3.400 20.000 4.455 4.405 4.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 5 CYS HA 1 6 LYS HB2 6.000 . 6.000 4.937 4.173 5.830 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 5 CYS HA 1 6 LYS HB3 6.000 . 6.000 5.160 4.278 5.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 5 CYS HA 1 7 THR H 4.300 . 4.300 3.814 3.539 4.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 5 CYS HA 1 8 CYS H 5.000 . 5.000 4.828 4.597 5.003 0.003 3 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 5 CYS HA 1 9 GLN H 5.000 . 5.000 4.961 4.752 5.081 0.081 30 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 5 CYS HA 1 10 ARG HB3 20.000 3.400 20.000 5.534 5.177 5.838 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 5 CYS HA 1 12 PHE HD2 5.000 . 5.000 4.880 4.562 5.049 0.049 40 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 5 CYS HA 1 12 PHE HE2 5.000 . 5.000 4.220 3.907 4.609 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 5 CYS HA 1 18 LEU CD1 4.500 . 4.500 3.058 2.880 3.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 5 CYS HA 1 18 LEU CD2 6.100 . 6.100 4.217 3.776 4.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 5 CYS HA 1 18 LEU HG 4.300 . 4.300 4.145 3.886 4.323 0.023 29 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 5 CYS HA 1 21 HIS HD2 4.300 . 4.300 4.340 4.301 4.384 0.084 18 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 5 CYS HB2 1 6 LYS H 5.000 . 5.000 4.198 3.940 4.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 5 CYS HB2 1 7 THR H 5.000 . 5.000 4.410 4.198 4.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 5 CYS HB2 1 8 CYS H 5.000 . 5.000 4.418 4.129 4.638 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 5 CYS HB2 1 10 ARG H 5.000 . 5.000 3.514 3.153 3.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 5 CYS HB2 1 12 PHE HD2 5.000 . 5.000 3.930 3.596 4.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 5 CYS HB2 1 12 PHE HE2 5.000 . 5.000 2.208 1.972 2.465 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 5 CYS HB2 1 12 PHE HZ 5.000 . 5.000 4.034 3.736 4.487 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 5 CYS HB2 1 18 LEU CD1 5.400 . 5.400 3.095 2.731 3.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 5 CYS HB2 1 18 LEU HG 5.000 . 5.000 4.589 4.279 4.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 5 CYS HB2 1 21 HIS HD2 5.000 . 5.000 2.613 2.324 2.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 5 CYS HB2 1 22 THR CG2 6.100 . 6.100 4.885 3.859 6.110 0.010 28 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 5 CYS HB3 1 6 LYS H 5.000 . 5.000 4.200 3.999 4.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 5 CYS HB3 1 7 THR H 5.000 . 5.000 3.505 3.372 3.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 5 CYS HB3 1 8 CYS H 4.300 . 4.300 3.176 2.900 3.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 5 CYS HB3 1 9 GLN H 3.400 . 3.400 2.764 2.358 3.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 5 CYS HB3 1 9 GLN HA 5.000 . 5.000 3.542 3.095 4.137 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 5 CYS HB3 1 10 ARG H 4.300 . 4.300 1.977 1.751 2.275 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 5 CYS HB3 1 10 ARG HA 20.000 3.400 20.000 4.687 4.351 4.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 5 CYS HB3 1 10 ARG HB2 8.100 . 8.100 3.940 3.616 4.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 5 CYS HB3 1 10 ARG HB3 5.000 . 5.000 2.896 2.511 3.203 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 5 CYS HB3 1 10 ARG HG2 8.100 . 8.100 5.083 4.660 5.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 5 CYS HB3 1 10 ARG HG3 8.100 . 8.100 5.744 5.348 6.041 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 5 CYS HB3 1 12 PHE HD2 5.000 . 5.000 4.952 4.604 5.031 0.031 34 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 5 CYS HB3 1 12 PHE HE2 5.000 . 5.000 3.175 2.787 3.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 5 CYS HB3 1 12 PHE HZ 5.000 . 5.000 4.781 4.189 5.039 0.039 3 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 5 CYS HB3 1 18 LEU CD1 6.100 . 6.100 4.618 4.264 4.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 5 CYS HB3 1 21 HIS HD2 4.300 . 4.300 3.953 3.559 4.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 5 CYS N 1 10 ARG O 15.000 2.200 15.000 2.851 2.772 3.128 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 5 CYS SG 1 7 THR H 15.000 2.200 15.000 2.777 2.452 2.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 5 CYS SG 1 7 THR N 15.000 2.500 15.000 3.486 3.307 3.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 5 CYS SG 1 8 CYS H 2.800 2.200 2.800 2.748 2.510 2.836 0.036 40 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 5 CYS SG 1 8 CYS N 3.700 2.500 3.700 3.626 3.421 3.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 5 CYS SG 1 8 CYS SG 3.900 3.600 3.900 3.755 3.721 3.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 5 CYS SG 1 21 HIS NE2 3.600 3.400 3.600 3.484 3.428 3.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 5 CYS SG 1 25 HIS NE2 3.600 3.400 3.600 3.492 3.392 3.577 0.008 37 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 5 CYS SG 2 1 ZN ZN 2.400 2.200 2.400 2.295 2.282 2.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 6 LYS CA 1 8 CYS CA 7.200 4.700 7.200 6.005 5.676 6.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 6 LYS H 1 6 LYS HA 3.400 2.200 3.400 2.981 2.942 2.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 6 LYS H 1 7 THR H 3.400 . 3.400 2.843 2.430 3.068 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 6 LYS H 1 7 THR HA 5.000 . 5.000 4.980 4.819 5.051 0.051 16 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 6 LYS H 1 7 THR HB 5.000 . 5.000 4.539 4.213 4.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 6 LYS H 1 8 CYS H 5.000 . 5.000 4.522 4.227 4.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 6 LYS H 1 18 LEU CD1 6.100 . 6.100 5.064 4.810 5.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 6 LYS HA 1 7 THR H 4.300 . 4.300 2.778 2.589 3.024 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 6 LYS HA 1 9 GLN HE21 3.400 . 3.400 2.346 1.823 2.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 6 LYS HA 1 9 GLN HE22 4.300 . 4.300 2.521 1.760 3.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 6 LYS HB2 1 7 THR H 6.000 . 6.000 4.310 3.966 4.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 6 LYS HB3 1 7 THR H 6.000 . 6.000 4.433 4.060 4.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 7 THR CA 1 9 GLN CA 7.200 4.700 7.200 5.948 5.777 6.124 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 7 THR CG2 1 8 CYS H 6.100 . 6.100 4.212 3.949 4.345 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 7 THR CG2 1 8 CYS HA 6.100 . 6.100 5.163 4.849 5.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 7 THR CG2 1 8 CYS HB3 6.100 . 6.100 4.663 4.096 4.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 7 THR CG2 1 9 GLN H 6.600 . 6.600 5.989 5.717 6.168 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 7 THR CG2 1 25 HIS HD2 6.100 . 6.100 3.495 3.197 4.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 7 THR CG2 1 25 HIS HE1 5.400 . 5.400 4.949 4.237 5.409 0.009 22 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 7 THR H 1 7 THR HA 3.400 2.200 3.400 2.976 2.956 2.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 7 THR H 1 7 THR HB 3.400 . 3.400 2.788 2.611 2.882 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 7 THR H 1 8 CYS H 3.400 . 3.400 1.905 1.710 2.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 7 THR H 1 8 CYS HA 5.000 . 5.000 4.547 4.385 4.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 7 THR H 1 8 CYS HB2 6.700 . 6.700 5.709 5.541 5.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 7 THR H 1 8 CYS HB3 6.700 . 6.700 4.892 4.739 5.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 7 THR H 1 9 GLN H 4.300 . 4.300 2.838 2.466 3.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 7 THR H 1 9 GLN HA 5.000 . 5.000 4.197 3.985 4.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 7 THR H 1 25 HIS HD2 5.000 . 5.000 5.001 4.730 5.052 0.052 37 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 7 THR HA 1 8 CYS H 5.000 . 5.000 3.564 3.549 3.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 7 THR HB 1 8 CYS H 3.400 . 3.400 2.627 2.484 2.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 7 THR HB 1 8 CYS HB3 20.000 3.400 20.000 3.850 3.710 4.056 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 7 THR HB 1 9 GLN H 5.000 . 5.000 4.370 4.119 4.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 7 THR HB 1 21 HIS HD2 5.000 . 5.000 4.970 4.764 5.065 0.065 15 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 7 THR HB 1 22 THR CG2 6.100 . 6.100 5.027 3.433 6.106 0.006 2 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 7 THR HB 1 22 THR HA 5.000 . 5.000 4.485 3.597 4.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 7 THR HB 1 25 HIS HD2 5.000 . 5.000 2.509 2.323 2.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 7 THR HB 1 25 HIS HE1 5.000 . 5.000 4.408 3.946 4.792 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 8 CYS CA 1 10 ARG CA 7.200 4.700 7.200 5.846 5.414 6.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 8 CYS H 1 8 CYS HA 4.300 2.200 4.300 3.007 2.996 3.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 8 CYS H 1 8 CYS HB2 4.300 . 4.300 3.817 3.769 3.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 8 CYS H 1 8 CYS HB3 4.300 . 4.300 3.086 3.018 3.137 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 8 CYS H 1 9 GLN H 2.700 . 2.700 1.831 1.660 2.125 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 8 CYS H 1 9 GLN HA 4.300 . 4.300 3.978 3.800 4.266 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 8 CYS H 1 9 GLN HG2 6.700 . 6.700 5.245 4.172 6.750 0.050 16 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 8 CYS H 1 9 GLN HG3 6.700 . 6.700 5.595 5.001 6.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 8 CYS H 1 25 HIS HD2 5.000 . 5.000 4.712 4.464 4.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 8 CYS HA 1 8 CYS HB2 2.700 . 2.700 2.432 2.377 2.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 8 CYS HA 1 8 CYS HB3 2.700 . 2.700 2.474 2.430 2.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 8 CYS HA 1 9 GLN H 3.400 . 3.400 3.374 3.130 3.435 0.035 40 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 8 CYS HA 1 9 GLN HE21 5.000 . 5.000 4.711 4.026 5.238 0.238 10 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 8 CYS HA 1 9 GLN HG2 6.700 . 6.700 4.863 3.566 6.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 8 CYS HA 1 9 GLN HG3 6.700 . 6.700 5.645 5.226 6.766 0.066 16 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 8 CYS HB2 1 9 GLN H 4.300 . 4.300 3.840 3.496 4.345 0.045 29 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 8 CYS HB2 1 25 HIS HE1 4.300 . 4.300 3.739 3.334 4.317 0.017 30 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 8 CYS HB3 1 9 GLN H 5.000 3.400 5.000 3.913 3.606 4.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 8 CYS HB3 1 25 HIS HE1 3.400 . 3.400 2.463 2.115 2.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 8 CYS SG 1 10 ARG H 15.000 2.200 15.000 3.324 2.984 3.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 8 CYS SG 1 10 ARG N 15.000 2.500 15.000 3.680 3.438 4.068 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 8 CYS SG 1 21 HIS NE2 3.700 3.300 3.700 3.515 3.423 3.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 8 CYS SG 1 25 HIS NE2 3.800 3.400 3.800 3.589 3.499 3.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 8 CYS SG 2 1 ZN ZN 2.400 2.200 2.400 2.297 2.292 2.302 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 9 GLN CA 1 11 LYS CA 7.200 4.700 7.200 6.633 6.189 6.769 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 9 GLN H 1 9 GLN HA 2.700 2.200 2.700 2.341 2.289 2.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 9 GLN H 1 9 GLN HE22 20.000 3.400 20.000 3.895 3.335 4.844 0.065 10 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 9 GLN H 1 10 ARG H 4.300 . 4.300 2.428 2.162 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 9 GLN H 1 10 ARG HA 20.000 3.400 20.000 5.025 4.728 5.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 9 GLN H 1 10 ARG HB3 20.000 3.400 20.000 4.419 4.077 5.126 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 9 GLN HA 1 9 GLN HE22 20.000 3.400 20.000 3.825 3.360 4.695 0.040 16 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 9 GLN HA 1 10 ARG H 4.300 . 4.300 2.438 2.290 2.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 9 GLN HA 1 10 ARG HA 5.000 . 5.000 4.485 4.434 4.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 9 GLN HB2 1 10 ARG H 6.700 . 6.700 4.428 4.304 4.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 9 GLN HB2 1 10 ARG HA 6.700 . 6.700 5.139 4.895 6.005 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 9 GLN HB3 1 10 ARG H 6.700 . 6.700 4.314 4.202 4.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 9 GLN HB3 1 10 ARG HA 6.700 . 6.700 4.924 4.793 5.111 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 10 ARG CA 1 12 PHE CA 7.200 4.700 7.200 7.037 6.843 7.138 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 10 ARG H 1 10 ARG HD2 20.000 2.700 20.000 5.284 4.931 5.504 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 10 ARG H 1 10 ARG HD3 20.000 2.700 20.000 5.220 4.884 6.155 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 10 ARG H 1 10 ARG HE 20.000 2.700 20.000 6.785 4.811 7.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 10 ARG H 1 12 PHE HE2 5.000 . 5.000 4.025 3.820 4.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 10 ARG HA 1 10 ARG HD2 20.000 2.700 20.000 4.319 4.065 4.656 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 10 ARG HA 1 10 ARG HD3 20.000 2.700 20.000 4.702 4.628 4.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 10 ARG HA 1 10 ARG HE 20.000 3.400 20.000 5.286 3.895 6.126 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 10 ARG HA 1 11 LYS H 3.400 . 3.400 2.364 2.156 2.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 10 ARG HA 1 11 LYS HA 20.000 3.400 20.000 4.429 4.378 4.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 10 ARG HA 1 12 PHE HE2 5.000 . 5.000 5.046 5.018 5.073 0.073 2 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 10 ARG HB2 1 12 PHE HD2 8.100 . 8.100 6.457 6.215 6.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 10 ARG HB2 1 12 PHE HE2 6.500 . 6.500 4.469 4.264 4.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 10 ARG HB2 1 12 PHE HZ 7.400 . 7.400 4.257 3.915 4.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 10 ARG HB2 1 21 HIS HD2 8.100 . 8.100 5.799 5.481 6.138 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 10 ARG HB2 1 21 HIS HE1 7.400 . 7.400 4.105 3.722 4.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 10 ARG HB3 1 10 ARG HD2 4.300 . 4.300 3.113 2.432 3.349 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 10 ARG HB3 1 10 ARG HD3 4.300 . 4.300 2.674 2.406 3.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 10 ARG HB3 1 10 ARG HE 20.000 3.400 20.000 4.517 3.376 4.903 0.024 36 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 10 ARG HB3 1 12 PHE HE2 4.300 . 4.300 2.722 2.538 2.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 10 ARG HB3 1 12 PHE HZ 4.300 . 4.300 2.946 2.555 3.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 10 ARG HB3 1 21 HIS HD2 5.000 . 5.000 4.408 4.132 4.720 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 10 ARG HB3 1 21 HIS HE1 4.300 . 4.300 3.902 3.534 4.238 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 10 ARG HD2 1 12 PHE CG 8.800 . 8.800 6.854 5.671 7.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 10 ARG HD2 1 12 PHE CZ 8.800 . 8.800 4.480 3.064 5.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 10 ARG HD2 1 12 PHE HZ 5.100 . 5.100 3.695 2.145 4.239 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 10 ARG HD2 1 21 HIS HE1 3.400 . 3.400 3.186 2.068 3.418 0.018 12 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 10 ARG HD3 1 12 PHE CG 8.800 . 8.800 5.513 4.987 6.404 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 10 ARG HD3 1 12 PHE CZ 8.800 . 8.800 3.015 2.676 4.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 10 ARG HD3 1 12 PHE HZ 5.100 . 5.100 2.207 1.980 3.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 10 ARG HD3 1 21 HIS HE1 3.400 . 3.400 2.778 2.348 3.464 0.064 27 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 10 ARG HG2 1 12 PHE HD2 8.100 . 8.100 4.707 4.269 5.234 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 10 ARG HG2 1 12 PHE HE2 6.500 . 6.500 3.524 2.901 4.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 10 ARG HG2 1 12 PHE HZ 6.700 . 6.700 3.012 2.524 3.604 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 10 ARG HG2 1 21 HIS HD2 8.100 . 8.100 5.952 5.294 6.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 10 ARG HG2 1 21 HIS HE1 6.000 . 6.000 5.015 4.422 5.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 10 ARG HG3 1 12 PHE HD2 8.100 . 8.100 6.326 5.842 6.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 10 ARG HG3 1 12 PHE HE2 6.500 . 6.500 5.001 4.542 5.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 10 ARG HG3 1 12 PHE HZ 6.700 . 6.700 4.380 4.038 4.744 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 10 ARG HG3 1 21 HIS HD2 8.100 . 8.100 7.129 6.710 7.490 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 10 ARG HG3 1 21 HIS HE1 6.000 . 6.000 5.342 5.021 5.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 11 LYS CA 1 13 SER CA 7.200 4.700 7.200 7.167 7.073 7.227 0.027 24 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 11 LYS H 1 12 PHE H 5.000 . 5.000 4.520 4.458 4.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 11 LYS HA 1 11 LYS HD2 20.000 2.700 20.000 4.678 3.687 5.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 11 LYS HA 1 11 LYS HD3 20.000 2.700 20.000 4.764 3.498 5.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 11 LYS HA 1 12 PHE H 3.400 . 3.400 2.308 2.211 2.389 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 11 LYS HA 1 12 PHE HD2 3.400 . 3.400 3.013 2.830 3.288 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 11 LYS HA 1 12 PHE HE2 5.000 . 5.000 3.944 3.556 4.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 11 LYS HB2 1 12 PHE H 6.000 . 6.000 2.953 2.315 4.055 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 11 LYS HB3 1 12 PHE H 6.000 . 6.000 3.407 2.274 3.936 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 12 PHE CA 1 14 ARG CA 7.200 4.700 7.200 5.840 5.610 6.209 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 12 PHE CG 1 21 HIS HB3 7.100 . 7.100 4.487 4.044 4.821 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 12 PHE CZ 1 21 HIS HA 7.100 . 7.100 5.232 5.038 5.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 12 PHE CZ 1 21 HIS HB3 7.100 . 7.100 3.349 3.169 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 12 PHE H 1 12 PHE HB2 3.400 . 3.400 2.774 2.668 2.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 12 PHE H 1 12 PHE HB3 20.000 2.700 20.000 3.864 3.798 3.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 12 PHE H 1 12 PHE HD2 3.400 . 3.400 2.987 2.767 3.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 12 PHE HA 1 12 PHE HD1 4.300 . 4.300 2.787 2.650 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 12 PHE HA 1 13 SER H 5.000 . 5.000 2.529 2.351 2.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 12 PHE HB2 1 12 PHE HD2 3.400 . 3.400 2.456 2.390 2.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 12 PHE HB2 1 13 SER H 5.000 . 5.000 3.300 3.088 3.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 12 PHE HB2 1 14 ARG H 4.300 . 4.300 3.807 3.500 4.124 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 12 PHE HB2 1 18 LEU CD2 6.100 . 6.100 5.244 4.919 5.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 12 PHE HB2 1 18 LEU H 5.000 . 5.000 3.590 3.101 4.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 12 PHE HB2 1 18 LEU HB2 4.300 . 4.300 2.786 2.501 3.171 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 12 PHE HB3 1 12 PHE HD1 3.400 . 3.400 2.507 2.463 2.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 12 PHE HB3 1 13 SER H 5.000 . 5.000 2.218 1.973 2.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 12 PHE HB3 1 14 ARG H 4.300 . 4.300 2.940 2.672 3.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 12 PHE HB3 1 17 HIS HB2 6.700 . 6.700 2.525 2.092 2.795 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 12 PHE HB3 1 17 HIS HB3 6.700 . 6.700 2.574 2.244 3.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 12 PHE HB3 1 18 LEU H 5.000 . 5.000 3.460 2.829 4.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 12 PHE HB3 1 18 LEU HB2 5.000 . 5.000 3.864 3.592 4.113 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 12 PHE HD1 1 17 HIS HB2 4.300 . 4.300 4.030 3.491 4.340 0.040 32 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 12 PHE HD1 1 17 HIS HB3 4.300 . 4.300 2.791 2.168 3.385 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 12 PHE HD2 1 18 LEU CD1 4.500 . 4.500 2.852 2.667 3.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 12 PHE HD2 1 18 LEU HA 4.300 . 4.300 3.243 2.787 3.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 12 PHE HD2 1 18 LEU HB2 4.300 . 4.300 3.161 2.780 3.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 12 PHE HD2 1 18 LEU HB3 5.000 . 5.000 4.798 4.471 5.028 0.028 22 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 12 PHE HD2 1 18 LEU HG 5.000 . 5.000 4.693 4.424 4.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 12 PHE HE1 1 17 HIS HB2 6.700 . 6.700 6.075 5.458 6.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 12 PHE HE1 1 17 HIS HB3 6.700 . 6.700 4.656 3.939 5.387 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 12 PHE HE1 1 21 HIS HB2 3.400 . 3.400 2.855 2.446 3.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 12 PHE HE2 1 18 LEU CD1 5.400 . 5.400 3.278 3.024 3.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 12 PHE HE2 1 18 LEU HA 4.300 . 4.300 3.768 3.311 4.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 12 PHE HE2 1 18 LEU HB2 5.000 . 5.000 4.877 4.498 5.030 0.030 24 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 12 PHE HE2 1 18 LEU HG 5.000 . 5.000 5.044 5.021 5.066 0.066 16 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 12 PHE HE2 1 21 HIS HD2 4.300 . 4.300 3.216 2.824 3.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 12 PHE HE2 1 21 HIS HE1 5.000 . 5.000 5.025 4.996 5.049 0.049 11 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 12 PHE HZ 1 18 LEU CD1 6.100 . 6.100 5.244 4.689 5.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 12 PHE HZ 1 18 LEU HA 5.000 . 5.000 4.488 4.168 4.771 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 12 PHE HZ 1 21 HIS HA 5.000 . 5.000 4.853 4.577 5.020 0.020 12 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 12 PHE HZ 1 21 HIS HB2 4.300 . 4.300 3.043 2.602 3.361 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 12 PHE HZ 1 21 HIS HB3 4.300 . 4.300 3.450 3.114 3.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 12 PHE HZ 1 21 HIS HD2 4.300 . 4.300 3.514 3.275 3.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 12 PHE HZ 1 21 HIS HE1 4.300 . 4.300 3.437 3.137 3.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 13 SER CA 1 15 SER CA 7.200 4.700 7.200 7.067 6.298 7.197 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 13 SER H 1 14 ARG H 4.300 . 4.300 2.065 1.890 2.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 13 SER HA 1 14 ARG H 5.000 . 5.000 3.492 3.411 3.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
366 1 13 SER HB2 1 14 ARG H 5.000 . 5.000 3.708 3.474 4.049 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 13 SER HB3 1 14 ARG H 4.300 . 4.300 3.962 3.821 4.212 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 14 ARG CA 1 16 ASP CA 7.200 4.700 7.200 5.567 5.329 5.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 14 ARG H 1 14 ARG HA 20.000 2.700 20.000 2.998 2.973 3.009 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 14 ARG H 1 14 ARG HB2 3.400 . 3.400 2.614 2.463 2.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 14 ARG H 1 14 ARG HB3 4.300 . 4.300 3.760 3.689 3.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 14 ARG H 1 14 ARG HE 20.000 3.400 20.000 6.034 5.599 6.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 14 ARG H 1 14 ARG HG2 20.000 2.700 20.000 3.975 3.575 4.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 14 ARG H 1 14 ARG HG3 20.000 2.700 20.000 2.875 2.654 3.300 0.046 39 0 "[ . 1 . 2 . 3 . 4]" 1
375 1 14 ARG H 1 17 HIS HB2 6.700 . 6.700 2.475 2.084 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 14 ARG H 1 17 HIS HB3 6.700 . 6.700 3.628 3.122 4.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 14 ARG HA 1 14 ARG HD2 20.000 2.700 20.000 4.794 4.482 5.103 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 14 ARG HA 1 14 ARG HD3 20.000 2.700 20.000 4.463 4.259 4.615 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 14 ARG HA 1 14 ARG HE 20.000 3.400 20.000 5.041 4.263 5.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
380 1 14 ARG HA 1 14 ARG HG2 4.300 . 4.300 2.592 2.414 2.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
381 1 14 ARG HA 1 14 ARG HG3 4.300 . 4.300 3.055 2.657 3.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 14 ARG HA 1 15 SER H 4.300 . 4.300 2.501 2.326 3.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
383 1 14 ARG HA 1 16 ASP H 5.000 . 5.000 4.272 3.901 4.618 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
384 1 14 ARG HB2 1 17 HIS H 6.000 . 6.000 2.669 2.024 3.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
385 1 14 ARG HB2 1 17 HIS HB2 6.000 . 6.000 2.658 2.229 3.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
386 1 14 ARG HB2 1 17 HIS HB3 6.000 . 6.000 4.027 3.706 4.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 14 ARG HB2 1 17 HIS HD2 4.300 . 4.300 3.578 3.198 3.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 14 ARG HB2 1 17 HIS HE1 4.300 . 4.300 3.975 3.429 4.321 0.021 32 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 14 ARG HB3 1 14 ARG HE 4.300 . 4.300 3.997 2.191 4.387 0.087 8 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 14 ARG HB3 1 15 SER H 4.300 . 4.300 2.166 1.878 3.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 14 ARG HB3 1 16 ASP H 4.300 . 4.300 2.642 2.216 3.059 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 14 ARG HB3 1 17 HIS H 6.000 . 6.000 3.342 2.644 4.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 14 ARG HD2 1 17 HIS HB2 8.400 . 8.400 4.980 4.156 5.759 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 14 ARG HD2 1 17 HIS HB3 8.400 . 8.400 5.714 5.029 6.412 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 14 ARG HD2 1 17 HIS HD2 4.300 . 4.300 4.054 3.615 4.369 0.069 39 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 14 ARG HD2 1 17 HIS HE1 4.300 . 4.300 2.539 2.249 2.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 14 ARG HD3 1 17 HIS HB2 8.400 . 8.400 5.090 4.109 5.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 14 ARG HD3 1 17 HIS HB3 8.400 . 8.400 6.111 5.032 6.682 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 14 ARG HD3 1 17 HIS HD2 4.300 . 4.300 4.020 3.087 4.368 0.068 21 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 14 ARG HD3 1 17 HIS HE1 4.300 . 4.300 3.964 3.198 4.330 0.030 4 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 14 ARG HE 1 14 ARG HG2 4.300 . 4.300 2.640 2.397 3.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 14 ARG HE 1 14 ARG HG3 4.300 . 4.300 3.350 2.744 4.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
403 1 14 ARG HG2 1 15 SER H 6.000 . 6.000 3.968 3.446 4.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 14 ARG HG2 1 17 HIS HB2 8.400 . 8.400 5.393 4.723 5.831 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 14 ARG HG2 1 17 HIS HB3 8.400 . 8.400 6.727 5.963 7.050 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 14 ARG HG2 1 17 HIS HE1 6.000 . 6.000 4.764 4.067 5.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 14 ARG HG3 1 15 SER H 6.000 . 6.000 4.663 4.222 4.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
408 1 14 ARG HG3 1 17 HIS HB2 8.400 . 8.400 4.428 3.569 4.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
409 1 14 ARG HG3 1 17 HIS HB3 8.400 . 8.400 5.485 4.471 5.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 14 ARG HG3 1 17 HIS HE1 6.000 . 6.000 3.343 2.596 4.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 15 SER CA 1 17 HIS CA 7.200 4.700 7.200 5.171 4.956 5.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 15 SER H 1 15 SER HA 3.400 2.200 3.400 2.950 2.504 3.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
413 1 15 SER H 1 15 SER QB . . 3.400 2.697 2.564 3.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 15 SER H 1 16 ASP H 4.300 . 4.300 2.213 1.980 2.612 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
415 1 15 SER H 1 16 ASP HB3 5.000 . 5.000 4.687 4.422 5.033 0.033 39 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 15 SER HA 1 16 ASP H 4.300 . 4.300 3.464 2.962 3.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 15 SER HA 1 18 LEU H 4.300 . 4.300 3.268 2.875 3.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
418 1 15 SER HA 1 19 LYS H 5.000 . 5.000 4.033 3.702 4.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
419 1 15 SER QB 1 16 ASP H . . 4.300 3.503 3.345 3.918 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
420 1 15 SER QB 1 18 LEU CD2 6.100 . 6.100 5.132 4.969 5.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
421 1 16 ASP CA 1 18 LEU CA 7.200 4.700 7.200 5.500 5.122 5.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
422 1 16 ASP H 1 16 ASP HA 3.400 2.200 3.400 2.905 2.847 2.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
423 1 16 ASP H 1 16 ASP HB2 4.300 . 4.300 3.626 3.549 3.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
424 1 16 ASP H 1 16 ASP HB3 3.400 . 3.400 2.760 2.480 3.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
425 1 16 ASP H 1 17 HIS H 4.300 . 4.300 2.372 1.669 2.653 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
426 1 16 ASP H 1 17 HIS HA 5.000 . 5.000 5.012 4.492 5.114 0.114 29 0 "[ . 1 . 2 . 3 . 4]" 1
427 1 16 ASP H 1 18 LEU H 5.000 . 5.000 4.120 3.097 4.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
428 1 16 ASP HA 1 16 ASP HB2 2.700 . 2.700 2.542 2.430 2.656 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
429 1 16 ASP HA 1 16 ASP HB3 2.700 . 2.700 2.482 2.377 2.609 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
430 1 16 ASP HA 1 17 HIS H 4.300 . 4.300 3.357 2.855 3.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
431 1 16 ASP HA 1 19 LYS H 5.000 . 5.000 3.490 2.888 3.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
432 1 16 ASP HA 1 20 THR H 4.300 . 4.300 4.026 3.462 4.325 0.025 20 0 "[ . 1 . 2 . 3 . 4]" 1
433 1 16 ASP HB2 1 17 HIS H 5.000 . 5.000 3.966 3.523 4.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
434 1 16 ASP HB2 1 17 HIS HD2 4.300 . 4.300 4.105 3.556 4.338 0.038 39 0 "[ . 1 . 2 . 3 . 4]" 1
435 1 16 ASP HB3 1 19 LYS H 6.000 . 6.000 5.833 5.193 6.031 0.031 37 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 17 HIS CA 1 19 LYS CA 7.200 4.700 7.200 5.516 5.220 6.135 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 17 HIS H 1 17 HIS HA 4.300 2.200 4.300 2.890 2.807 2.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 17 HIS H 1 18 LEU H 4.300 . 4.300 2.440 1.580 2.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 17 HIS H 1 19 LYS H 5.000 . 5.000 3.925 3.036 4.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 17 HIS HA 1 17 HIS HD2 2.700 . 2.700 2.406 2.213 2.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 17 HIS HA 1 20 THR CG2 6.100 . 6.100 4.836 4.235 5.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
442 1 17 HIS HA 1 20 THR H 5.000 . 5.000 3.823 3.336 4.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 17 HIS HA 1 20 THR HB 3.400 . 3.400 2.929 2.257 3.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 17 HIS HA 1 21 HIS H 4.300 . 4.300 4.274 4.051 4.379 0.079 3 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 17 HIS HB2 1 18 LEU H 6.000 . 6.000 2.431 2.030 3.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 17 HIS HB2 1 18 LEU HA 6.700 . 6.700 4.455 4.196 4.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
447 1 17 HIS HB2 1 18 LEU HB2 6.700 . 6.700 4.311 4.065 4.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 17 HIS HB3 1 18 LEU H 6.000 . 6.000 3.297 2.964 4.051 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 17 HIS HB3 1 18 LEU HA 6.700 . 6.700 4.331 4.088 4.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 17 HIS HB3 1 18 LEU HB2 6.700 . 6.700 5.046 4.801 5.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 17 HIS HD2 1 20 THR HB 5.000 . 5.000 4.749 3.925 5.024 0.024 37 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 18 LEU CA 1 20 THR CA 7.200 4.700 7.200 5.573 5.130 5.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
453 1 18 LEU CD1 1 19 LYS HA 8.600 . 8.600 5.495 5.189 5.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
454 1 18 LEU CD1 1 21 HIS HB3 6.100 . 6.100 4.299 3.859 4.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 18 LEU CD1 1 21 HIS HD2 4.500 . 4.500 3.955 3.403 4.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
456 1 18 LEU CD1 1 22 THR H 6.100 . 6.100 4.870 4.459 5.079 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 18 LEU CD1 1 22 THR HA 6.100 . 6.100 6.050 5.624 6.158 0.058 37 0 "[ . 1 . 2 . 3 . 4]" 1
458 1 18 LEU CD2 1 19 LYS H 6.100 . 6.100 4.615 4.308 5.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 18 LEU CD2 1 19 LYS HA 8.600 . 8.600 5.328 4.957 5.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 18 LEU CD2 1 22 THR CG2 7.200 . 7.200 5.756 4.615 7.210 0.010 21 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 18 LEU H 1 18 LEU HA 3.400 2.200 3.400 2.799 2.695 2.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
462 1 18 LEU H 1 18 LEU HB2 3.400 . 3.400 2.560 2.408 2.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 18 LEU H 1 18 LEU HB3 3.400 . 3.400 2.546 2.333 2.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
464 1 18 LEU H 1 19 LYS H 3.400 . 3.400 2.881 2.190 3.176 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 18 LEU H 1 20 THR H 20.000 3.400 20.000 4.496 3.388 4.990 0.012 31 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 18 LEU H 1 21 HIS H 20.000 3.400 20.000 4.795 4.117 5.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
467 1 18 LEU HA 1 18 LEU HG 4.300 . 4.300 3.064 2.890 3.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 18 LEU HA 1 19 LYS H 5.000 . 5.000 3.573 3.530 3.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 18 LEU HA 1 21 HIS H 4.300 . 4.300 3.665 3.172 3.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
470 1 18 LEU HA 1 21 HIS HD2 4.300 . 4.300 4.149 3.699 4.330 0.030 13 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 18 LEU HA 1 22 THR H 5.000 . 5.000 4.041 3.761 4.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 18 LEU HB2 1 19 LYS H 6.000 . 6.000 3.794 3.680 4.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
473 1 18 LEU HB3 1 19 LYS H 6.000 . 6.000 2.397 2.244 2.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 18 LEU HG 1 19 LYS HA 4.300 . 4.300 3.571 3.292 3.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 18 LEU HG 1 21 HIS HB3 5.000 . 5.000 4.414 4.107 4.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 18 LEU HG 1 21 HIS HD2 5.000 . 5.000 4.503 4.089 4.838 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 18 LEU O 1 22 THR H 15.000 . 15.000 1.964 1.869 2.092 0.031 30 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 18 LEU O 1 22 THR N 15.000 2.200 15.000 2.924 2.805 3.062 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 19 LYS CA 1 21 HIS CA 7.200 4.700 7.200 5.283 5.039 5.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 19 LYS H 1 20 THR HB 20.000 3.400 20.000 4.994 4.487 5.275 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 19 LYS H 1 21 HIS H 20.000 3.400 20.000 4.147 3.524 4.321 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 19 LYS H 1 22 THR H 20.000 3.400 20.000 4.876 4.680 5.060 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
483 1 19 LYS HA 1 19 LYS HE2 20.000 3.400 20.000 5.253 3.385 6.818 0.015 24 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 19 LYS HA 1 19 LYS HE3 20.000 3.400 20.000 5.139 4.363 6.367 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 19 LYS HA 1 20 THR H 4.300 . 4.300 3.510 3.157 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 19 LYS HA 1 21 HIS H 4.300 . 4.300 4.255 3.497 4.373 0.073 15 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 19 LYS HA 1 22 THR CG2 6.100 . 6.100 4.257 3.346 5.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
488 1 19 LYS HA 1 22 THR H 4.300 . 4.300 3.590 3.259 3.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
489 1 19 LYS HA 1 22 THR HB 4.300 . 4.300 3.894 2.753 4.362 0.062 2 0 "[ . 1 . 2 . 3 . 4]" 1
490 1 19 LYS HA 1 23 ARG H 5.000 . 5.000 4.512 3.801 5.028 0.028 20 0 "[ . 1 . 2 . 3 . 4]" 1
491 1 19 LYS HB2 1 21 HIS H 6.700 . 6.700 5.331 4.605 5.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
492 1 19 LYS HB3 1 21 HIS H 6.700 . 6.700 5.055 4.477 5.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
493 1 19 LYS O 1 23 ARG H 15.000 . 15.000 2.653 1.938 4.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
494 1 19 LYS O 1 23 ARG N 15.000 2.200 15.000 3.487 2.904 4.846 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
495 1 20 THR CA 1 22 THR CA 7.200 4.700 7.200 5.836 5.545 6.061 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
496 1 20 THR CG2 1 21 HIS H 6.100 . 6.100 4.106 3.914 4.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
497 1 20 THR CG2 1 22 THR H 7.100 . 7.100 6.537 6.351 6.832 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
498 1 20 THR H 1 20 THR HA 4.300 2.200 4.300 2.794 2.697 2.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
499 1 20 THR H 1 20 THR HB 3.400 . 3.400 2.635 2.497 2.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
500 1 20 THR H 1 21 HIS H 3.400 . 3.400 2.687 1.823 2.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
501 1 20 THR H 1 21 HIS HB3 5.000 . 5.000 4.684 3.613 5.033 0.033 16 0 "[ . 1 . 2 . 3 . 4]" 1
502 1 20 THR H 1 22 THR H 5.000 . 5.000 4.561 3.604 4.824 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
503 1 20 THR HA 1 21 HIS H 4.300 . 4.300 3.459 3.296 3.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
504 1 20 THR HA 1 22 THR H 5.000 . 5.000 4.991 4.736 5.079 0.079 25 0 "[ . 1 . 2 . 3 . 4]" 1
505 1 20 THR HA 1 23 ARG H 4.300 . 4.300 4.061 3.598 4.308 0.008 32 0 "[ . 1 . 2 . 3 . 4]" 1
506 1 20 THR HA 1 23 ARG HB2 6.000 . 6.000 3.992 2.380 5.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
507 1 20 THR HA 1 23 ARG HB3 6.000 . 6.000 4.413 2.973 5.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
508 1 20 THR HA 1 23 ARG HD2 6.700 . 6.700 4.373 2.359 6.340 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
509 1 20 THR HA 1 23 ARG HD3 6.700 . 6.700 4.268 2.050 6.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
510 1 20 THR HA 1 23 ARG HG2 6.700 . 6.700 4.137 2.366 6.050 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
511 1 20 THR HA 1 23 ARG HG3 6.700 . 6.700 4.304 2.392 6.255 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
512 1 20 THR HB 1 21 HIS H 3.400 . 3.400 2.615 2.409 3.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
513 1 20 THR HB 1 21 HIS HB3 5.000 . 5.000 4.679 4.458 4.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
514 1 20 THR HB 1 22 THR H 6.000 . 6.000 5.423 5.244 5.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
515 1 20 THR O 1 24 THR H 15.000 . 15.000 4.543 3.537 5.877 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
516 1 20 THR O 1 24 THR N 15.000 2.200 15.000 4.699 3.857 5.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
517 1 21 HIS CA 1 23 ARG CA 7.200 4.700 7.200 5.273 5.085 5.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
518 1 21 HIS H 1 21 HIS HA 4.300 2.200 4.300 2.859 2.808 2.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
519 1 21 HIS H 1 21 HIS HB2 3.400 . 3.400 2.831 2.657 3.196 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
520 1 21 HIS H 1 21 HIS HB3 3.400 . 3.400 2.355 2.240 2.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
521 1 21 HIS H 1 21 HIS HE1 20.000 3.400 20.000 7.022 6.905 7.078 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
522 1 21 HIS H 1 22 THR H 3.400 . 3.400 2.874 2.388 3.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
523 1 21 HIS H 1 23 ARG H 5.000 . 5.000 4.090 3.628 4.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
524 1 21 HIS HA 1 21 HIS HD2 20.000 2.700 20.000 4.553 4.309 4.789 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
525 1 21 HIS HA 1 22 THR H 4.300 . 4.300 3.573 3.508 3.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
526 1 21 HIS HA 1 23 ARG H 5.000 . 5.000 4.011 3.564 4.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
527 1 21 HIS HA 1 24 THR CG2 5.400 . 5.400 4.704 3.220 5.417 0.017 36 0 "[ . 1 . 2 . 3 . 4]" 1
528 1 21 HIS HA 1 24 THR H 5.000 . 5.000 4.669 4.058 5.027 0.027 9 0 "[ . 1 . 2 . 3 . 4]" 1
529 1 21 HIS HB2 1 22 THR H 4.300 . 4.300 3.852 3.752 4.012 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
530 1 21 HIS HB3 1 21 HIS HD2 3.400 . 3.400 2.806 2.760 2.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
531 1 21 HIS HB3 1 22 THR H 3.400 . 3.400 2.482 2.337 2.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
532 1 21 HIS HB3 1 22 THR HA 5.000 . 5.000 4.531 4.347 4.683 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
533 1 21 HIS HD2 1 22 THR CG2 6.100 . 6.100 3.737 2.986 4.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
534 1 21 HIS HD2 1 22 THR H 4.300 . 4.300 2.864 2.485 3.221 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
535 1 21 HIS HD2 1 22 THR HA 3.400 . 3.400 2.916 2.546 3.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
536 1 21 HIS HD2 1 22 THR HB 5.000 . 5.000 4.674 4.293 5.016 0.016 18 0 "[ . 1 . 2 . 3 . 4]" 1
537 1 21 HIS HD2 1 25 HIS HD2 4.300 . 4.300 3.891 3.554 4.275 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
538 1 21 HIS HE1 1 24 THR CG2 5.400 . 5.400 4.424 3.468 5.432 0.032 35 0 "[ . 1 . 2 . 3 . 4]" 1
539 1 21 HIS NE2 1 25 HIS NE2 3.300 3.000 3.300 3.188 3.131 3.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
540 1 21 HIS NE2 2 1 ZN ZN 2.100 . 2.100 1.985 1.977 1.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
541 1 21 HIS O 1 24 THR H 15.000 . 15.000 2.363 1.894 2.734 0.006 31 0 "[ . 1 . 2 . 3 . 4]" 1
542 1 21 HIS O 1 24 THR N 15.000 2.200 15.000 2.976 2.803 3.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
543 1 22 THR CA 1 24 THR CA 7.200 4.700 7.200 5.247 5.083 5.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
544 1 22 THR CG2 1 22 THR H 4.400 . 4.400 3.167 2.565 4.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
545 1 22 THR CG2 1 23 ARG H 6.100 . 6.100 4.483 4.056 4.771 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
546 1 22 THR CG2 1 25 HIS HB2 7.800 . 7.800 5.148 3.344 7.803 0.003 29 0 "[ . 1 . 2 . 3 . 4]" 1
547 1 22 THR CG2 1 25 HIS HB3 7.800 . 7.800 6.573 4.723 7.876 0.076 29 0 "[ . 1 . 2 . 3 . 4]" 1
548 1 22 THR CG2 1 25 HIS HD2 5.400 . 5.400 3.775 2.853 4.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
549 1 22 THR H 1 22 THR HA 3.400 2.200 3.400 2.735 2.648 2.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
550 1 22 THR H 1 22 THR HB 3.400 . 3.400 3.226 2.497 3.531 0.131 2 0 "[ . 1 . 2 . 3 . 4]" 1
551 1 22 THR H 1 23 ARG H 3.400 . 3.400 2.823 2.605 2.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
552 1 22 THR H 1 23 ARG HA 5.300 . 5.300 5.376 5.265 5.457 0.157 11 0 "[ . 1 . 2 . 3 . 4]" 1
553 1 22 THR H 1 24 THR H 5.000 . 5.000 4.630 4.355 4.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
554 1 22 THR H 1 25 HIS HD2 5.000 . 5.000 4.897 4.569 5.041 0.041 2 0 "[ . 1 . 2 . 3 . 4]" 1
555 1 22 THR HA 1 23 ARG H 4.300 . 4.300 3.439 3.306 3.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
556 1 22 THR HA 1 23 ARG HA 5.000 . 5.000 4.732 4.533 5.012 0.012 29 0 "[ . 1 . 2 . 3 . 4]" 1
557 1 22 THR HA 1 24 THR CG2 6.100 . 6.100 4.805 3.814 6.165 0.065 39 0 "[ . 1 . 2 . 3 . 4]" 1
558 1 22 THR HA 1 24 THR H 4.300 . 4.300 3.423 3.099 3.804 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
559 1 22 THR HA 1 25 HIS H 4.300 . 4.300 3.766 3.257 4.309 0.009 24 0 "[ . 1 . 2 . 3 . 4]" 1
560 1 22 THR HA 1 25 HIS HB2 6.700 . 6.700 3.854 3.400 5.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
561 1 22 THR HA 1 25 HIS HB3 6.700 . 6.700 5.266 4.813 5.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
562 1 22 THR HA 1 25 HIS HD2 2.700 . 2.700 2.296 2.023 2.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
563 1 22 THR HB 1 23 ARG H 4.300 . 4.300 3.454 2.445 4.124 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
564 1 22 THR HB 1 23 ARG HA 5.000 . 5.000 4.356 4.012 4.759 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
565 1 22 THR HB 1 24 THR H 5.000 . 5.000 4.848 4.591 5.052 0.052 19 0 "[ . 1 . 2 . 3 . 4]" 1
566 1 22 THR HB 1 25 HIS HD2 4.300 . 4.300 4.218 3.723 4.433 0.133 37 0 "[ . 1 . 2 . 3 . 4]" 1
567 1 23 ARG CA 1 25 HIS CA 7.200 4.700 7.200 5.505 5.275 5.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
568 1 23 ARG H 1 23 ARG HE 20.000 3.400 20.000 5.025 3.367 6.691 0.033 36 0 "[ . 1 . 2 . 3 . 4]" 1
569 1 23 ARG H 1 24 THR CG2 6.100 . 6.100 5.405 4.790 6.117 0.017 22 0 "[ . 1 . 2 . 3 . 4]" 1
570 1 23 ARG H 1 24 THR H 3.400 . 3.400 3.008 2.662 3.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
571 1 23 ARG HA 1 24 THR H 4.300 . 4.300 3.013 2.477 3.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
572 1 23 ARG HA 1 25 HIS H 5.000 . 5.000 3.549 3.212 4.854 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
573 1 23 ARG HA 1 26 THR H 5.000 . 5.000 3.320 2.578 4.117 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
574 1 23 ARG HA 1 26 THR HB 5.000 . 5.000 4.043 2.055 5.117 0.117 11 0 "[ . 1 . 2 . 3 . 4]" 1
575 1 23 ARG HA 1 27 GLY H 4.300 . 4.300 3.321 1.659 4.345 0.045 32 0 "[ . 1 . 2 . 3 . 4]" 1
576 1 23 ARG HB2 1 24 THR CG2 7.800 . 7.800 6.470 4.434 7.837 0.037 22 0 "[ . 1 . 2 . 3 . 4]" 1
577 1 23 ARG HB2 1 24 THR H 6.000 . 6.000 4.043 3.046 4.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
578 1 23 ARG HB3 1 24 THR CG2 7.800 . 7.800 6.591 4.207 7.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
579 1 23 ARG HB3 1 24 THR H 6.000 . 6.000 4.142 2.810 4.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
580 1 23 ARG HD2 1 24 THR H 6.700 . 6.700 5.888 4.283 6.767 0.067 6 0 "[ . 1 . 2 . 3 . 4]" 1
581 1 23 ARG HD3 1 24 THR H 6.700 . 6.700 6.019 4.347 6.764 0.064 38 0 "[ . 1 . 2 . 3 . 4]" 1
582 1 24 THR CA 1 26 THR CA 7.200 4.700 7.200 5.702 5.058 6.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
583 1 24 THR CG2 1 24 THR H 4.400 . 4.400 3.126 2.786 4.266 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
584 1 24 THR H 1 24 THR HA 3.400 2.200 3.400 2.960 2.874 2.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
585 1 24 THR H 1 24 THR HB 4.300 . 4.300 2.984 2.504 3.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
586 1 24 THR H 1 25 HIS H 3.400 . 3.400 1.942 1.447 2.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
587 1 24 THR HA 1 25 HIS H 5.000 . 5.000 3.312 2.964 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
588 1 24 THR HA 1 27 GLY H 5.000 . 5.000 4.172 3.361 5.123 0.123 11 0 "[ . 1 . 2 . 3 . 4]" 1
589 1 24 THR HB 1 25 HIS H 4.300 . 4.300 4.002 2.331 4.362 0.062 13 0 "[ . 1 . 2 . 3 . 4]" 1
590 1 25 HIS CA 1 27 GLY CA 7.200 4.700 7.200 5.742 5.247 6.431 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
591 1 25 HIS H 1 25 HIS HE1 20.000 3.400 20.000 5.558 5.204 5.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
592 1 25 HIS H 1 26 THR H 4.300 . 4.300 2.064 1.598 2.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
593 1 25 HIS H 1 26 THR HA 5.000 . 5.000 4.713 3.691 5.061 0.061 12 0 "[ . 1 . 2 . 3 . 4]" 1
594 1 25 HIS H 1 27 GLY H 5.000 . 5.000 3.428 2.613 4.359 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
595 1 25 HIS HA 1 25 HIS HD2 5.000 . 5.000 4.833 4.376 4.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
596 1 25 HIS HA 1 26 THR H 5.000 . 5.000 3.451 2.721 3.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
597 1 25 HIS HA 1 27 GLY H 5.000 . 5.000 4.591 3.844 5.056 0.056 31 0 "[ . 1 . 2 . 3 . 4]" 1
598 1 25 HIS HB2 1 26 THR H 6.000 . 6.000 2.476 2.041 4.485 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
599 1 25 HIS HB2 1 27 GLY H 6.700 . 6.700 4.694 2.515 6.254 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
600 1 25 HIS HB3 1 26 THR H 6.000 . 6.000 3.584 3.313 4.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
601 1 25 HIS HB3 1 27 GLY H 6.700 . 6.700 5.517 4.003 6.661 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
602 1 25 HIS NE2 2 1 ZN ZN 2.100 . 2.100 2.000 1.992 2.009 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
603 1 26 THR CA 1 28 GLU CA 7.200 4.700 7.200 5.676 5.066 6.126 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
604 1 26 THR CG2 1 27 GLY H 6.100 . 6.100 4.356 2.595 5.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
605 1 26 THR H 1 26 THR HA 6.500 2.200 6.500 2.942 2.372 3.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
606 1 26 THR H 1 27 GLY H 5.000 . 5.000 2.445 1.544 3.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
607 1 26 THR H 1 27 GLY HA2 5.000 . 5.000 4.693 3.786 5.047 0.047 19 0 "[ . 1 . 2 . 3 . 4]" 1
608 1 26 THR H 1 27 GLY HA3 5.000 . 5.000 4.545 3.944 5.051 0.051 36 0 "[ . 1 . 2 . 3 . 4]" 1
609 1 26 THR HA 1 27 GLY H 3.400 . 3.400 3.053 2.454 3.476 0.076 14 0 "[ . 1 . 2 . 3 . 4]" 1
610 1 26 THR HA 1 28 GLU H 4.300 . 4.300 4.064 3.449 4.417 0.117 11 0 "[ . 1 . 2 . 3 . 4]" 1
611 1 27 GLY CA 1 29 LYS CA 7.200 4.700 7.200 6.286 5.307 7.211 0.011 22 0 "[ . 1 . 2 . 3 . 4]" 1
612 1 27 GLY H 1 28 GLU H 4.300 . 4.300 2.953 1.737 3.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
613 1 28 GLU H 1 28 GLU HB2 3.400 . 3.400 2.925 2.245 3.549 0.149 40 0 "[ . 1 . 2 . 3 . 4]" 1
614 1 28 GLU H 1 28 GLU HB3 3.400 . 3.400 2.801 2.281 3.565 0.165 19 0 "[ . 1 . 2 . 3 . 4]" 1
615 1 28 GLU HA 1 29 LYS H 3.400 . 3.400 2.698 2.051 3.477 0.077 31 0 "[ . 1 . 2 . 3 . 4]" 1
616 1 28 GLU HB2 1 29 LYS H 6.700 . 6.700 3.836 2.111 4.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
617 1 28 GLU HB3 1 29 LYS H 6.700 . 6.700 3.447 1.791 4.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
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