NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
380142 |
1icl   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1icl
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 258
_Distance_constraint_stats_list.Viol_count 677
_Distance_constraint_stats_list.Viol_total 3424.535
_Distance_constraint_stats_list.Viol_max 0.523
_Distance_constraint_stats_list.Viol_rms 0.0436
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0092
_Distance_constraint_stats_list.Viol_average_violations_only 0.1331
_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 SER 1.845 0.118 4 0 "[ . 1 . 2 . 3 . ]"
1 2 LYS 4.360 0.118 4 0 "[ . 1 . 2 . 3 . ]"
1 3 TYR 1.805 0.088 12 0 "[ . 1 . 2 . 3 . ]"
1 4 GLU 0.096 0.056 11 0 "[ . 1 . 2 . 3 . ]"
1 5 TYR 5.182 0.162 21 0 "[ . 1 . 2 . 3 . ]"
1 6 THR 0.590 0.155 12 0 "[ . 1 . 2 . 3 . ]"
1 7 VAL 12.270 0.228 29 0 "[ . 1 . 2 . 3 . ]"
1 8 DPR 2.452 0.098 37 0 "[ . 1 . 2 . 3 . ]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 10 TYR 15.052 0.228 29 0 "[ . 1 . 2 . 3 . ]"
1 11 THR 4.856 0.157 38 0 "[ . 1 . 2 . 3 . ]"
1 12 PHE 4.526 0.149 27 0 "[ . 1 . 2 . 3 . ]"
1 13 ARG 5.277 0.162 21 0 "[ . 1 . 2 . 3 . ]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 15 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 16 GLY 0.699 0.038 1 0 "[ . 1 . 2 . 3 . ]"
1 17 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 18 PRO 2.605 0.102 4 0 "[ . 1 . 2 . 3 . ]"
1 19 THR 10.227 0.183 23 0 "[ . 1 . 2 . 3 . ]"
1 20 VAL 26.272 0.523 5 10 "[ * + 1 **** 2 *. *-* . ]"
1 21 LYS 21.696 0.523 5 10 "[ * + 1 **** 2 *. *-* . ]"
1 22 PRO 0.100 0.043 30 0 "[ . 1 . 2 . 3 . ]"
1 23 DAL 3.279 0.283 19 0 "[ . 1 . 2 . 3 . ]"
1 24 ILE 9.051 0.283 19 0 "[ . 1 . 2 . 3 . ]"
1 25 SER 5.787 0.268 14 0 "[ . 1 . 2 . 3 . ]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 27 ARG 7.975 0.225 7 0 "[ . 1 . 2 . 3 . ]"
1 28 CYS 16.203 0.358 32 0 "[ . 1 . 2 . 3 . ]"
1 29 GLU 0.011 0.011 26 0 "[ . 1 . 2 . 3 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 SER HA 1 2 LYS H 3.500 . 3.500 2.992 2.153 3.618 0.118 4 0 "[ . 1 . 2 . 3 . ]" 1
2 1 1 SER QB 1 2 LYS H 4.225 . 4.225 3.115 2.558 3.790 . 0 0 "[ . 1 . 2 . 3 . ]" 1
3 1 2 LYS H 1 2 LYS QB 3.500 . 4.500 3.047 2.575 3.447 . 0 0 "[ . 1 . 2 . 3 . ]" 1
4 1 2 LYS H 1 2 LYS QD 5.000 . 6.000 4.894 3.196 5.384 . 0 0 "[ . 1 . 2 . 3 . ]" 1
5 1 2 LYS H 1 2 LYS QG 3.500 . 4.500 3.582 2.898 4.241 . 0 0 "[ . 1 . 2 . 3 . ]" 1
6 1 2 LYS H 1 3 TYR H 3.500 . 3.500 3.547 3.503 3.588 0.088 12 0 "[ . 1 . 2 . 3 . ]" 1
7 1 2 LYS H 1 28 CYS QB 5.000 . 6.000 5.134 3.248 5.409 . 0 0 "[ . 1 . 2 . 3 . ]" 1
8 1 2 LYS H 1 29 GLU HA 5.000 . 5.000 3.710 2.350 5.011 0.011 26 0 "[ . 1 . 2 . 3 . ]" 1
9 1 2 LYS HA 1 3 TYR H 2.500 . 2.500 2.164 2.110 2.262 . 0 0 "[ . 1 . 2 . 3 . ]" 1
10 1 2 LYS HA 1 16 GLY H 3.500 . 3.500 3.517 3.478 3.538 0.038 1 0 "[ . 1 . 2 . 3 . ]" 1
11 1 2 LYS QB 1 3 TYR H 3.500 . 4.500 3.785 3.610 4.087 . 0 0 "[ . 1 . 2 . 3 . ]" 1
12 1 2 LYS QG 1 3 TYR H 5.000 . 6.000 4.248 3.726 4.781 . 0 0 "[ . 1 . 2 . 3 . ]" 1
13 1 3 TYR H 1 3 TYR QB 3.390 . 3.390 2.644 2.341 2.777 . 0 0 "[ . 1 . 2 . 3 . ]" 1
14 1 3 TYR H 1 3 TYR QD 3.500 . 5.500 2.617 2.407 3.045 . 0 0 "[ . 1 . 2 . 3 . ]" 1
15 1 3 TYR H 1 3 TYR QE 5.000 . 7.000 4.323 4.092 5.122 . 0 0 "[ . 1 . 2 . 3 . ]" 1
16 1 3 TYR H 1 14 GLY H 5.000 . 5.000 3.793 3.594 4.346 . 0 0 "[ . 1 . 2 . 3 . ]" 1
17 1 3 TYR H 1 15 PRO HA 5.000 . 5.000 3.124 2.428 3.471 . 0 0 "[ . 1 . 2 . 3 . ]" 1
18 1 3 TYR H 1 16 GLY H 5.000 . 5.000 3.808 3.281 4.116 . 0 0 "[ . 1 . 2 . 3 . ]" 1
19 1 3 TYR HA 1 4 GLU H 3.500 . 3.500 2.225 2.135 2.271 . 0 0 "[ . 1 . 2 . 3 . ]" 1
20 1 3 TYR HA 1 28 CYS H 5.000 . 5.000 3.971 3.493 4.690 . 0 0 "[ . 1 . 2 . 3 . ]" 1
21 1 3 TYR HA 1 28 CYS HA 3.500 . 3.500 2.496 2.148 3.446 . 0 0 "[ . 1 . 2 . 3 . ]" 1
22 1 3 TYR QB 1 4 GLU H 4.227 . 4.227 2.861 2.748 3.340 . 0 0 "[ . 1 . 2 . 3 . ]" 1
23 1 3 TYR QB 1 17 CYS HA 3.390 . 3.390 2.993 2.739 3.268 . 0 0 "[ . 1 . 2 . 3 . ]" 1
24 1 3 TYR QB 1 26 LEU QD 6.816 . 6.816 2.742 2.057 3.745 . 0 0 "[ . 1 . 2 . 3 . ]" 1
25 1 3 TYR QB 1 28 CYS HA 3.500 . 4.500 2.666 2.175 3.477 . 0 0 "[ . 1 . 2 . 3 . ]" 1
26 1 3 TYR QD 1 4 GLU HA 5.000 . 7.000 3.508 3.268 4.462 . 0 0 "[ . 1 . 2 . 3 . ]" 1
27 1 3 TYR QD 1 14 GLY QA 5.000 . 8.000 4.393 3.713 4.660 . 0 0 "[ . 1 . 2 . 3 . ]" 1
28 1 3 TYR QD 1 15 PRO HA 5.000 . 7.000 3.726 3.011 4.084 . 0 0 "[ . 1 . 2 . 3 . ]" 1
29 1 3 TYR QD 1 16 GLY H 5.000 . 7.000 3.495 3.108 4.466 . 0 0 "[ . 1 . 2 . 3 . ]" 1
30 1 3 TYR QD 1 18 PRO QD 3.500 . 6.500 3.091 2.656 3.642 . 0 0 "[ . 1 . 2 . 3 . ]" 1
31 1 3 TYR QD 1 26 LEU QD 7.839 . 7.839 3.415 2.643 4.438 . 0 0 "[ . 1 . 2 . 3 . ]" 1
32 1 3 TYR QD 1 26 LEU HG 5.000 . 7.000 4.751 4.093 5.433 . 0 0 "[ . 1 . 2 . 3 . ]" 1
33 1 3 TYR QE 1 5 TYR QE 2.500 . 6.500 2.632 2.241 3.136 . 0 0 "[ . 1 . 2 . 3 . ]" 1
34 1 3 TYR QE 1 12 PHE HA 5.000 . 7.000 4.619 4.080 5.766 . 0 0 "[ . 1 . 2 . 3 . ]" 1
35 1 3 TYR QE 1 12 PHE QB 6.234 . 6.234 2.754 2.556 4.260 . 0 0 "[ . 1 . 2 . 3 . ]" 1
36 1 3 TYR QE 1 12 PHE QD 5.000 . 9.000 4.649 4.318 5.791 . 0 0 "[ . 1 . 2 . 3 . ]" 1
37 1 3 TYR QE 1 12 PHE QE 5.000 . 9.000 6.552 6.245 7.461 . 0 0 "[ . 1 . 2 . 3 . ]" 1
38 1 3 TYR QE 1 14 GLY QA 6.943 . 6.943 3.375 2.531 3.653 . 0 0 "[ . 1 . 2 . 3 . ]" 1
39 1 3 TYR QE 1 15 PRO HA 3.500 . 5.500 4.285 4.038 4.701 . 0 0 "[ . 1 . 2 . 3 . ]" 1
40 1 3 TYR QE 1 15 PRO QD 5.000 . 8.000 4.410 3.980 5.000 . 0 0 "[ . 1 . 2 . 3 . ]" 1
41 1 3 TYR QE 1 18 PRO QD 5.000 . 8.000 2.744 2.254 3.350 . 0 0 "[ . 1 . 2 . 3 . ]" 1
42 1 3 TYR QE 1 26 LEU QD 5.000 . 9.400 4.560 3.854 5.495 . 0 0 "[ . 1 . 2 . 3 . ]" 1
43 1 3 TYR QE 1 26 LEU HG 5.000 . 7.000 6.422 5.348 6.641 . 0 0 "[ . 1 . 2 . 3 . ]" 1
44 1 4 GLU H 1 4 GLU QB 3.500 . 4.500 2.697 2.492 2.780 . 0 0 "[ . 1 . 2 . 3 . ]" 1
45 1 4 GLU H 1 26 LEU QD 5.000 . 7.400 4.095 3.187 4.852 . 0 0 "[ . 1 . 2 . 3 . ]" 1
46 1 4 GLU HA 1 5 TYR H 2.500 . 2.500 2.170 2.138 2.206 . 0 0 "[ . 1 . 2 . 3 . ]" 1
47 1 4 GLU HA 1 12 PHE H 5.000 . 5.000 4.720 4.616 4.859 . 0 0 "[ . 1 . 2 . 3 . ]" 1
48 1 4 GLU HA 1 13 ARG HA 2.500 . 2.500 2.386 2.265 2.556 0.056 11 0 "[ . 1 . 2 . 3 . ]" 1
49 1 4 GLU HA 1 13 ARG QG 5.000 . 6.000 2.672 2.439 2.898 . 0 0 "[ . 1 . 2 . 3 . ]" 1
50 1 4 GLU QB 1 5 TYR H 3.500 . 4.500 3.963 3.867 4.035 . 0 0 "[ . 1 . 2 . 3 . ]" 1
51 1 4 GLU QB 1 11 THR MG 3.500 . 5.500 4.078 3.813 4.140 . 0 0 "[ . 1 . 2 . 3 . ]" 1
52 1 4 GLU QB 1 13 ARG QD 3.500 . 5.500 4.042 3.998 4.117 . 0 0 "[ . 1 . 2 . 3 . ]" 1
53 1 4 GLU QB 1 13 ARG HE 5.000 . 6.000 3.639 3.404 4.066 . 0 0 "[ . 1 . 2 . 3 . ]" 1
54 1 4 GLU QB 1 13 ARG QG 5.000 . 7.000 2.531 2.393 2.676 . 0 0 "[ . 1 . 2 . 3 . ]" 1
55 1 4 GLU QG 1 5 TYR H 3.500 . 4.500 3.406 3.117 3.660 . 0 0 "[ . 1 . 2 . 3 . ]" 1
56 1 4 GLU QG 1 11 THR MG 3.500 . 5.500 2.222 2.018 2.322 . 0 0 "[ . 1 . 2 . 3 . ]" 1
57 1 4 GLU QG 1 12 PHE H 5.000 . 6.000 4.567 4.180 5.005 . 0 0 "[ . 1 . 2 . 3 . ]" 1
58 1 4 GLU QG 1 13 ARG QB 3.500 . 5.500 4.121 3.979 4.167 . 0 0 "[ . 1 . 2 . 3 . ]" 1
59 1 4 GLU QG 1 13 ARG QD 3.500 . 5.500 3.530 2.849 3.877 . 0 0 "[ . 1 . 2 . 3 . ]" 1
60 1 4 GLU QG 1 13 ARG HE 5.000 . 6.000 2.475 1.787 4.225 0.013 34 0 "[ . 1 . 2 . 3 . ]" 1
61 1 4 GLU QG 1 13 ARG QG 5.229 . 5.229 2.070 2.029 2.097 . 0 0 "[ . 1 . 2 . 3 . ]" 1
62 1 5 TYR H 1 5 TYR QD 5.000 . 7.000 3.438 2.880 3.717 . 0 0 "[ . 1 . 2 . 3 . ]" 1
63 1 5 TYR H 1 11 THR MG 5.000 . 6.000 4.028 3.485 4.316 . 0 0 "[ . 1 . 2 . 3 . ]" 1
64 1 5 TYR H 1 12 PHE H 3.500 . 3.500 3.137 3.062 3.249 . 0 0 "[ . 1 . 2 . 3 . ]" 1
65 1 5 TYR H 1 13 ARG HA 3.500 . 3.500 3.636 3.593 3.662 0.162 21 0 "[ . 1 . 2 . 3 . ]" 1
66 1 5 TYR HA 1 5 TYR QD 3.500 . 5.500 3.835 3.812 3.857 . 0 0 "[ . 1 . 2 . 3 . ]" 1
67 1 5 TYR HA 1 6 THR H 2.500 . 2.500 2.104 2.079 2.198 . 0 0 "[ . 1 . 2 . 3 . ]" 1
68 1 5 TYR QB 1 5 TYR QD 2.500 . 5.500 2.205 2.192 2.218 . 0 0 "[ . 1 . 2 . 3 . ]" 1
69 1 5 TYR QB 1 6 THR H 4.227 . 4.227 3.324 3.082 3.460 . 0 0 "[ . 1 . 2 . 3 . ]" 1
70 1 5 TYR QB 1 12 PHE H 4.924 . 4.924 4.661 4.614 4.703 . 0 0 "[ . 1 . 2 . 3 . ]" 1
71 1 5 TYR QB 1 24 ILE MD 4.415 . 4.415 3.074 2.888 3.202 . 0 0 "[ . 1 . 2 . 3 . ]" 1
72 1 5 TYR QB 1 26 LEU HA 4.227 . 4.227 3.241 2.571 3.748 . 0 0 "[ . 1 . 2 . 3 . ]" 1
73 1 5 TYR QB 1 26 LEU QD 5.630 . 5.630 2.169 1.962 3.225 . 0 0 "[ . 1 . 2 . 3 . ]" 1
74 1 5 TYR QB 1 27 ARG H 4.924 . 4.924 4.218 4.095 4.310 . 0 0 "[ . 1 . 2 . 3 . ]" 1
75 1 5 TYR QD 1 7 VAL QG 7.118 . 7.118 2.146 2.096 2.367 . 0 0 "[ . 1 . 2 . 3 . ]" 1
76 1 5 TYR QD 1 20 VAL QG 5.000 . 9.400 5.653 4.956 6.261 . 0 0 "[ . 1 . 2 . 3 . ]" 1
77 1 5 TYR QD 1 24 ILE MD 5.000 . 8.000 3.277 2.411 3.689 . 0 0 "[ . 1 . 2 . 3 . ]" 1
78 1 5 TYR QD 1 26 LEU HA 5.000 . 7.000 4.952 4.062 5.758 . 0 0 "[ . 1 . 2 . 3 . ]" 1
79 1 5 TYR QD 1 26 LEU QD 7.839 . 7.839 2.526 2.082 3.429 . 0 0 "[ . 1 . 2 . 3 . ]" 1
80 1 5 TYR QE 1 7 VAL HB 5.000 . 7.000 4.074 3.420 5.036 . 0 0 "[ . 1 . 2 . 3 . ]" 1
81 1 5 TYR QE 1 7 VAL QG 7.118 . 7.118 3.044 2.390 3.269 . 0 0 "[ . 1 . 2 . 3 . ]" 1
82 1 5 TYR QE 1 12 PHE QB 5.000 . 8.000 2.964 2.605 3.137 . 0 0 "[ . 1 . 2 . 3 . ]" 1
83 1 5 TYR QE 1 12 PHE QD 3.500 . 7.500 3.192 2.738 3.950 . 0 0 "[ . 1 . 2 . 3 . ]" 1
84 1 5 TYR QE 1 12 PHE QE 5.000 . 9.000 3.885 3.459 4.965 . 0 0 "[ . 1 . 2 . 3 . ]" 1
85 1 5 TYR QE 1 20 VAL QG 5.000 . 9.400 5.878 5.184 6.361 . 0 0 "[ . 1 . 2 . 3 . ]" 1
86 1 5 TYR QE 1 24 ILE MD 5.000 . 8.000 3.735 2.671 4.281 . 0 0 "[ . 1 . 2 . 3 . ]" 1
87 1 5 TYR QE 1 26 LEU QD 7.839 . 7.839 3.612 2.888 4.294 . 0 0 "[ . 1 . 2 . 3 . ]" 1
88 1 6 THR H 1 6 THR HB 3.500 . 3.500 2.773 2.634 3.655 0.155 12 0 "[ . 1 . 2 . 3 . ]" 1
89 1 6 THR H 1 6 THR MG 3.500 . 4.500 3.784 2.849 3.893 . 0 0 "[ . 1 . 2 . 3 . ]" 1
90 1 6 THR HA 1 6 THR MG 3.500 . 4.500 2.430 2.393 2.455 . 0 0 "[ . 1 . 2 . 3 . ]" 1
91 1 6 THR HA 1 7 VAL H 2.500 . 2.500 2.102 2.051 2.128 . 0 0 "[ . 1 . 2 . 3 . ]" 1
92 1 6 THR HA 1 11 THR HA 3.500 . 3.500 2.024 1.970 2.170 . 0 0 "[ . 1 . 2 . 3 . ]" 1
93 1 6 THR HA 1 12 PHE H 5.000 . 5.000 2.873 2.779 3.098 . 0 0 "[ . 1 . 2 . 3 . ]" 1
94 1 6 THR HA 1 12 PHE QD 3.500 . 5.500 3.745 3.639 3.897 . 0 0 "[ . 1 . 2 . 3 . ]" 1
95 1 6 THR HB 1 7 VAL H 5.000 . 5.000 4.318 3.613 4.433 . 0 0 "[ . 1 . 2 . 3 . ]" 1
96 1 6 THR MG 1 10 TYR H 3.500 . 4.500 3.419 3.092 3.658 . 0 0 "[ . 1 . 2 . 3 . ]" 1
97 1 6 THR MG 1 11 THR HA 5.000 . 6.000 2.551 2.321 2.751 . 0 0 "[ . 1 . 2 . 3 . ]" 1
98 1 6 THR MG 1 11 THR MG 2.500 . 4.500 2.687 2.168 2.774 . 0 0 "[ . 1 . 2 . 3 . ]" 1
99 1 6 THR MG 1 12 PHE H 5.000 . 6.000 4.377 4.029 4.532 . 0 0 "[ . 1 . 2 . 3 . ]" 1
100 1 7 VAL H 1 7 VAL HB 3.500 . 3.500 2.660 2.595 2.821 . 0 0 "[ . 1 . 2 . 3 . ]" 1
101 1 7 VAL H 1 7 VAL QG 4.218 . 4.218 2.893 2.706 3.032 . 0 0 "[ . 1 . 2 . 3 . ]" 1
102 1 7 VAL H 1 8 DPR HD2 5.000 . 6.000 4.432 4.084 4.515 . 0 0 "[ . 1 . 2 . 3 . ]" 1
103 1 7 VAL H 1 10 TYR H 5.000 . 5.000 3.819 3.591 3.906 . 0 0 "[ . 1 . 2 . 3 . ]" 1
104 1 7 VAL H 1 10 TYR QB 4.924 . 4.924 3.860 3.618 4.162 . 0 0 "[ . 1 . 2 . 3 . ]" 1
105 1 7 VAL H 1 12 PHE H 3.500 . 3.500 3.619 3.577 3.649 0.149 27 0 "[ . 1 . 2 . 3 . ]" 1
106 1 7 VAL H 1 12 PHE QD 5.000 . 7.000 2.737 2.505 3.008 . 0 0 "[ . 1 . 2 . 3 . ]" 1
107 1 7 VAL H 1 12 PHE QE 5.000 . 7.000 3.587 3.303 3.922 . 0 0 "[ . 1 . 2 . 3 . ]" 1
108 1 7 VAL HA 1 8 DPR HD2 2.898 . 2.898 2.280 2.205 2.341 . 0 0 "[ . 1 . 2 . 3 . ]" 1
109 1 7 VAL HA 1 10 TYR H 5.000 . 5.000 5.204 5.132 5.228 0.228 29 0 "[ . 1 . 2 . 3 . ]" 1
110 1 7 VAL HB 1 10 TYR QB 5.000 . 6.000 3.972 3.301 4.388 . 0 0 "[ . 1 . 2 . 3 . ]" 1
111 1 7 VAL HB 1 10 TYR QD 5.000 . 7.000 5.662 4.249 6.481 . 0 0 "[ . 1 . 2 . 3 . ]" 1
112 1 7 VAL HB 1 12 PHE QD 5.000 . 7.000 3.046 2.802 3.338 . 0 0 "[ . 1 . 2 . 3 . ]" 1
113 1 7 VAL HB 1 12 PHE QE 3.500 . 5.500 2.414 2.237 2.984 . 0 0 "[ . 1 . 2 . 3 . ]" 1
114 1 7 VAL QG 1 8 DPR HD2 5.362 . 5.362 2.965 2.701 3.291 . 0 0 "[ . 1 . 2 . 3 . ]" 1
115 1 7 VAL QG 1 10 TYR QD 5.000 . 9.400 5.451 4.447 5.941 . 0 0 "[ . 1 . 2 . 3 . ]" 1
116 1 7 VAL QG 1 12 PHE QD 7.118 . 7.118 3.287 2.610 3.680 . 0 0 "[ . 1 . 2 . 3 . ]" 1
117 1 7 VAL QG 1 12 PHE QE 7.845 . 7.845 3.191 2.440 3.643 . 0 0 "[ . 1 . 2 . 3 . ]" 1
118 1 7 VAL QG 1 24 ILE MD 3.500 . 6.900 3.297 2.632 3.823 . 0 0 "[ . 1 . 2 . 3 . ]" 1
119 1 7 VAL QG 1 24 ILE MG 5.000 . 8.400 3.806 2.993 4.878 . 0 0 "[ . 1 . 2 . 3 . ]" 1
120 1 8 DPR HA 1 8 DPR HB2 2.891 . 2.891 2.208 2.176 2.326 . 0 0 "[ . 1 . 2 . 3 . ]" 1
121 1 8 DPR HA 1 8 DPR HD2 5.000 . 6.000 3.412 3.302 3.464 . 0 0 "[ . 1 . 2 . 3 . ]" 1
122 1 8 DPR HA 1 8 DPR HG2 3.500 . 4.500 3.500 2.653 3.564 . 0 0 "[ . 1 . 2 . 3 . ]" 1
123 1 8 DPR HA 1 9 SER H 2.500 . 2.500 2.238 1.953 2.303 . 0 0 "[ . 1 . 2 . 3 . ]" 1
124 1 8 DPR HA 1 10 TYR H 3.500 . 3.500 3.564 3.485 3.598 0.098 37 0 "[ . 1 . 2 . 3 . ]" 1
125 1 8 DPR HB2 1 8 DPR HD2 4.211 . 6.211 2.764 2.680 2.791 . 0 0 "[ . 1 . 2 . 3 . ]" 1
126 1 8 DPR HB2 1 9 SER H 5.000 . 6.000 2.667 2.619 2.898 . 0 0 "[ . 1 . 2 . 3 . ]" 1
127 1 8 DPR HD2 1 8 DPR HG2 3.370 . 5.370 2.047 2.040 2.064 . 0 0 "[ . 1 . 2 . 3 . ]" 1
128 1 8 DPR HG2 1 9 SER H 3.500 . 4.500 4.176 4.141 4.239 . 0 0 "[ . 1 . 2 . 3 . ]" 1
129 1 9 SER H 1 9 SER QB 3.500 . 4.500 2.509 2.355 2.778 . 0 0 "[ . 1 . 2 . 3 . ]" 1
130 1 9 SER H 1 10 TYR H 3.500 . 3.500 3.426 3.168 3.483 . 0 0 "[ . 1 . 2 . 3 . ]" 1
131 1 9 SER H 1 10 TYR QD 5.000 . 7.000 5.311 4.401 6.397 . 0 0 "[ . 1 . 2 . 3 . ]" 1
132 1 9 SER HA 1 10 TYR H 3.500 . 3.500 2.881 2.716 3.407 . 0 0 "[ . 1 . 2 . 3 . ]" 1
133 1 9 SER QB 1 10 TYR H 5.000 . 6.000 4.013 3.546 4.156 . 0 0 "[ . 1 . 2 . 3 . ]" 1
134 1 9 SER QB 1 10 TYR QE 5.000 . 8.000 6.021 5.621 6.317 . 0 0 "[ . 1 . 2 . 3 . ]" 1
135 1 10 TYR H 1 10 TYR QB 3.390 . 3.390 2.763 2.637 2.814 . 0 0 "[ . 1 . 2 . 3 . ]" 1
136 1 10 TYR H 1 10 TYR QD 5.000 . 7.000 4.456 4.163 4.556 . 0 0 "[ . 1 . 2 . 3 . ]" 1
137 1 10 TYR H 1 11 THR H 3.500 . 3.500 3.628 3.611 3.657 0.157 38 0 "[ . 1 . 2 . 3 . ]" 1
138 1 10 TYR HA 1 10 TYR QD 3.500 . 5.500 3.048 2.962 3.076 . 0 0 "[ . 1 . 2 . 3 . ]" 1
139 1 10 TYR HA 1 11 THR H 2.500 . 2.500 2.031 2.019 2.058 . 0 0 "[ . 1 . 2 . 3 . ]" 1
140 1 10 TYR HA 1 11 THR HB 5.000 . 5.000 4.681 4.624 4.748 . 0 0 "[ . 1 . 2 . 3 . ]" 1
141 1 10 TYR QB 1 11 THR H 4.227 . 4.227 3.871 3.723 3.921 . 0 0 "[ . 1 . 2 . 3 . ]" 1
142 1 10 TYR QB 1 12 PHE QD 5.000 . 8.000 3.635 3.275 4.551 . 0 0 "[ . 1 . 2 . 3 . ]" 1
143 1 10 TYR QB 1 12 PHE QE 5.000 . 8.000 2.569 2.241 3.540 . 0 0 "[ . 1 . 2 . 3 . ]" 1
144 1 10 TYR QD 1 11 THR H 5.000 . 7.000 4.231 4.187 4.320 . 0 0 "[ . 1 . 2 . 3 . ]" 1
145 1 10 TYR QD 1 12 PHE QD 3.500 . 7.500 3.656 3.554 3.949 . 0 0 "[ . 1 . 2 . 3 . ]" 1
146 1 10 TYR QD 1 12 PHE QE 5.000 . 9.000 3.143 2.914 3.576 . 0 0 "[ . 1 . 2 . 3 . ]" 1
147 1 10 TYR QE 1 12 PHE HA 5.000 . 7.000 5.280 4.766 5.615 . 0 0 "[ . 1 . 2 . 3 . ]" 1
148 1 10 TYR QE 1 12 PHE QD 5.000 . 9.000 4.518 3.895 5.148 . 0 0 "[ . 1 . 2 . 3 . ]" 1
149 1 10 TYR QE 1 12 PHE QE 5.000 . 9.000 3.672 2.909 4.516 . 0 0 "[ . 1 . 2 . 3 . ]" 1
150 1 11 THR H 1 11 THR HB 3.500 . 3.500 2.707 2.651 2.785 . 0 0 "[ . 1 . 2 . 3 . ]" 1
151 1 11 THR HA 1 11 THR MG 3.500 . 4.500 2.464 2.450 2.481 . 0 0 "[ . 1 . 2 . 3 . ]" 1
152 1 11 THR HA 1 12 PHE H 2.500 . 2.500 2.261 2.217 2.289 . 0 0 "[ . 1 . 2 . 3 . ]" 1
153 1 11 THR HA 1 12 PHE QD 5.000 . 7.000 4.111 3.842 4.420 . 0 0 "[ . 1 . 2 . 3 . ]" 1
154 1 11 THR HB 1 12 PHE H 5.000 . 5.000 4.471 4.338 4.546 . 0 0 "[ . 1 . 2 . 3 . ]" 1
155 1 11 THR HB 1 13 ARG QG 5.000 . 6.000 3.783 3.507 4.014 . 0 0 "[ . 1 . 2 . 3 . ]" 1
156 1 11 THR MG 1 12 PHE H 3.500 . 4.500 3.481 3.173 3.642 . 0 0 "[ . 1 . 2 . 3 . ]" 1
157 1 11 THR MG 1 12 PHE QD 5.000 . 8.000 5.468 5.211 5.713 . 0 0 "[ . 1 . 2 . 3 . ]" 1
158 1 11 THR MG 1 13 ARG QD 5.000 . 7.000 3.443 2.692 3.880 . 0 0 "[ . 1 . 2 . 3 . ]" 1
159 1 11 THR MG 1 13 ARG HE 5.000 . 6.000 2.870 2.050 4.935 . 0 0 "[ . 1 . 2 . 3 . ]" 1
160 1 11 THR MG 1 13 ARG QG 5.229 . 5.229 2.219 2.152 2.491 . 0 0 "[ . 1 . 2 . 3 . ]" 1
161 1 12 PHE H 1 12 PHE QD 3.500 . 5.500 2.742 2.648 2.910 . 0 0 "[ . 1 . 2 . 3 . ]" 1
162 1 12 PHE HA 1 12 PHE QD 3.500 . 5.500 2.940 2.822 2.988 . 0 0 "[ . 1 . 2 . 3 . ]" 1
163 1 12 PHE HA 1 12 PHE QE 5.000 . 7.000 4.643 4.570 4.677 . 0 0 "[ . 1 . 2 . 3 . ]" 1
164 1 12 PHE HA 1 13 ARG H 2.500 . 2.500 2.237 2.178 2.301 . 0 0 "[ . 1 . 2 . 3 . ]" 1
165 1 12 PHE QB 1 13 ARG H 3.500 . 4.500 3.787 3.667 3.872 . 0 0 "[ . 1 . 2 . 3 . ]" 1
166 1 12 PHE QD 1 13 ARG H 5.000 . 7.000 4.725 4.593 4.810 . 0 0 "[ . 1 . 2 . 3 . ]" 1
167 1 13 ARG H 1 13 ARG QG 3.387 . 3.387 2.897 2.873 2.942 . 0 0 "[ . 1 . 2 . 3 . ]" 1
168 1 13 ARG HA 1 13 ARG QG 3.387 . 3.387 2.440 2.421 2.467 . 0 0 "[ . 1 . 2 . 3 . ]" 1
169 1 13 ARG QB 1 14 GLY H 5.000 . 6.000 3.101 3.058 3.198 . 0 0 "[ . 1 . 2 . 3 . ]" 1
170 1 13 ARG QG 1 14 GLY H 5.000 . 6.000 4.042 3.971 4.103 . 0 0 "[ . 1 . 2 . 3 . ]" 1
171 1 14 GLY QA 1 15 PRO HA 4.921 . 4.921 4.182 4.151 4.235 . 0 0 "[ . 1 . 2 . 3 . ]" 1
172 1 14 GLY QA 1 15 PRO QD 2.909 . 4.909 2.307 2.269 2.328 . 0 0 "[ . 1 . 2 . 3 . ]" 1
173 1 15 PRO HA 1 16 GLY H 3.500 . 3.500 2.202 2.161 2.235 . 0 0 "[ . 1 . 2 . 3 . ]" 1
174 1 15 PRO HA 1 16 GLY QA 4.921 . 4.921 4.082 4.030 4.103 . 0 0 "[ . 1 . 2 . 3 . ]" 1
175 1 15 PRO QB 1 16 GLY H 5.000 . 6.000 2.908 2.833 2.943 . 0 0 "[ . 1 . 2 . 3 . ]" 1
176 1 15 PRO QG 1 16 GLY H 4.910 . 4.910 4.419 4.406 4.432 . 0 0 "[ . 1 . 2 . 3 . ]" 1
177 1 16 GLY QA 1 17 CYS H 3.386 . 3.386 2.202 2.172 2.265 . 0 0 "[ . 1 . 2 . 3 . ]" 1
178 1 16 GLY QA 1 17 CYS QB 5.000 . 7.000 4.438 3.989 4.636 . 0 0 "[ . 1 . 2 . 3 . ]" 1
179 1 17 CYS H 1 17 CYS QB 3.500 . 4.500 2.683 2.263 2.999 . 0 0 "[ . 1 . 2 . 3 . ]" 1
180 1 17 CYS H 1 28 CYS QB 5.000 . 6.000 5.007 3.464 5.379 . 0 0 "[ . 1 . 2 . 3 . ]" 1
181 1 17 CYS HA 1 18 PRO QD 2.500 . 3.500 2.251 2.168 2.336 . 0 0 "[ . 1 . 2 . 3 . ]" 1
182 1 17 CYS QB 1 18 PRO QD 2.500 . 4.500 3.610 3.355 3.907 . 0 0 "[ . 1 . 2 . 3 . ]" 1
183 1 17 CYS QB 1 28 CYS H 5.000 . 6.000 5.212 4.624 5.419 . 0 0 "[ . 1 . 2 . 3 . ]" 1
184 1 17 CYS QB 1 28 CYS QB 3.500 . 5.500 3.003 2.279 3.337 . 0 0 "[ . 1 . 2 . 3 . ]" 1
185 1 18 PRO HA 1 19 THR H 3.500 . 3.500 3.525 3.023 3.602 0.102 4 0 "[ . 1 . 2 . 3 . ]" 1
186 1 18 PRO QB 1 19 THR H 3.370 . 3.370 2.723 2.053 2.935 . 0 0 "[ . 1 . 2 . 3 . ]" 1
187 1 19 THR H 1 19 THR HB 3.500 . 3.500 3.537 2.766 3.683 0.183 23 0 "[ . 1 . 2 . 3 . ]" 1
188 1 19 THR H 1 19 THR MG 3.500 . 4.500 2.793 2.334 3.154 . 0 0 "[ . 1 . 2 . 3 . ]" 1
189 1 19 THR HA 1 19 THR HB 2.500 . 2.500 2.504 2.305 2.571 0.071 4 0 "[ . 1 . 2 . 3 . ]" 1
190 1 19 THR HA 1 19 THR MG 3.500 . 4.500 2.663 2.415 3.377 . 0 0 "[ . 1 . 2 . 3 . ]" 1
191 1 19 THR HA 1 20 VAL H 2.500 . 2.500 2.275 2.164 2.557 0.057 34 0 "[ . 1 . 2 . 3 . ]" 1
192 1 19 THR HA 1 20 VAL QG 5.792 . 5.792 3.668 3.169 3.948 . 0 0 "[ . 1 . 2 . 3 . ]" 1
193 1 19 THR HB 1 20 VAL H 3.500 . 3.500 2.989 2.378 3.678 0.178 13 0 "[ . 1 . 2 . 3 . ]" 1
194 1 19 THR MG 1 20 VAL H 3.500 . 4.500 3.668 3.295 3.734 . 0 0 "[ . 1 . 2 . 3 . ]" 1
195 1 20 VAL H 1 20 VAL HB 3.500 . 3.500 3.244 2.713 3.928 0.428 13 0 "[ . 1 . 2 . 3 . ]" 1
196 1 20 VAL H 1 21 LYS H 2.500 . 2.500 2.629 2.537 2.832 0.332 34 0 "[ . 1 . 2 . 3 . ]" 1
197 1 20 VAL H 1 26 LEU QD 5.000 . 7.400 4.833 4.374 5.335 . 0 0 "[ . 1 . 2 . 3 . ]" 1
198 1 20 VAL HA 1 21 LYS H 2.500 . 2.500 2.170 1.825 2.518 0.018 27 0 "[ . 1 . 2 . 3 . ]" 1
199 1 20 VAL HB 1 21 LYS H 3.500 . 3.500 3.941 3.728 4.023 0.523 5 10 "[ * + 1 **** 2 *. *-* . ]" 1
200 1 20 VAL HB 1 24 ILE MD 5.000 . 6.000 4.795 3.973 4.918 . 0 0 "[ . 1 . 2 . 3 . ]" 1
201 1 20 VAL QG 1 21 LYS H 5.000 . 7.400 3.626 3.346 3.768 . 0 0 "[ . 1 . 2 . 3 . ]" 1
202 1 20 VAL QG 1 26 LEU H 5.000 . 7.400 4.621 3.291 5.343 . 0 0 "[ . 1 . 2 . 3 . ]" 1
203 1 20 VAL QG 1 26 LEU QD 4.765 . 9.565 2.011 1.817 2.537 . 0 0 "[ . 1 . 2 . 3 . ]" 1
204 1 21 LYS H 1 21 LYS QB 3.500 . 4.500 2.586 2.127 2.737 . 0 0 "[ . 1 . 2 . 3 . ]" 1
205 1 21 LYS H 1 21 LYS QD 3.500 . 4.500 4.002 3.108 4.280 . 0 0 "[ . 1 . 2 . 3 . ]" 1
206 1 21 LYS H 1 21 LYS QG 3.500 . 4.500 2.821 2.228 4.170 . 0 0 "[ . 1 . 2 . 3 . ]" 1
207 1 21 LYS H 1 24 ILE MD 3.500 . 4.500 2.975 2.124 3.672 . 0 0 "[ . 1 . 2 . 3 . ]" 1
208 1 21 LYS HA 1 21 LYS QD 3.500 . 4.500 3.426 2.466 4.234 . 0 0 "[ . 1 . 2 . 3 . ]" 1
209 1 21 LYS HA 1 21 LYS QG 3.500 . 4.500 2.803 2.329 3.469 . 0 0 "[ . 1 . 2 . 3 . ]" 1
210 1 21 LYS HA 1 22 PRO QD 3.376 . 3.376 2.159 2.113 2.225 . 0 0 "[ . 1 . 2 . 3 . ]" 1
211 1 21 LYS HA 1 22 PRO QG 3.838 . 3.838 3.523 3.476 3.581 . 0 0 "[ . 1 . 2 . 3 . ]" 1
212 1 21 LYS QB 1 22 PRO QD 5.222 . 5.222 2.592 2.237 3.568 . 0 0 "[ . 1 . 2 . 3 . ]" 1
213 1 21 LYS QD 1 22 PRO QD 5.222 . 5.222 3.569 2.490 4.304 . 0 0 "[ . 1 . 2 . 3 . ]" 1
214 1 21 LYS QG 1 22 PRO QD 5.000 . 7.000 3.363 2.214 4.103 . 0 0 "[ . 1 . 2 . 3 . ]" 1
215 1 22 PRO HA 1 22 PRO QD 4.216 . 4.216 3.479 3.455 3.499 . 0 0 "[ . 1 . 2 . 3 . ]" 1
216 1 22 PRO HA 1 23 DAL HB1 5.000 . 6.000 4.999 4.384 6.022 0.022 21 0 "[ . 1 . 2 . 3 . ]" 1
217 1 22 PRO HA 1 24 ILE H 5.000 . 5.000 4.220 3.391 5.043 0.043 30 0 "[ . 1 . 2 . 3 . ]" 1
218 1 23 DAL HA 1 23 DAL HB1 2.500 . 3.500 2.783 2.473 3.082 . 0 0 "[ . 1 . 2 . 3 . ]" 1
219 1 23 DAL HA 1 24 ILE H 3.500 . 3.500 3.062 2.289 3.570 0.070 38 0 "[ . 1 . 2 . 3 . ]" 1
220 1 23 DAL HB1 1 24 ILE H 3.500 . 4.500 4.020 2.868 4.783 0.283 19 0 "[ . 1 . 2 . 3 . ]" 1
221 1 24 ILE H 1 24 ILE HB 3.500 . 3.500 2.654 1.911 3.016 . 0 0 "[ . 1 . 2 . 3 . ]" 1
222 1 24 ILE H 1 24 ILE MD 5.000 . 6.000 3.769 3.226 4.402 . 0 0 "[ . 1 . 2 . 3 . ]" 1
223 1 24 ILE H 1 24 ILE QG 3.389 . 3.389 2.515 1.940 3.304 . 0 0 "[ . 1 . 2 . 3 . ]" 1
224 1 24 ILE H 1 24 ILE MG 3.500 . 4.500 3.818 2.997 4.025 . 0 0 "[ . 1 . 2 . 3 . ]" 1
225 1 24 ILE H 1 25 SER H 5.000 . 5.000 4.435 4.306 4.565 . 0 0 "[ . 1 . 2 . 3 . ]" 1
226 1 24 ILE HA 1 24 ILE MD 3.500 . 4.500 3.894 2.502 4.147 . 0 0 "[ . 1 . 2 . 3 . ]" 1
227 1 24 ILE HA 1 25 SER H 2.500 . 2.500 2.118 2.016 2.389 . 0 0 "[ . 1 . 2 . 3 . ]" 1
228 1 24 ILE HA 1 25 SER QB 4.225 . 4.225 3.994 3.887 4.039 . 0 0 "[ . 1 . 2 . 3 . ]" 1
229 1 24 ILE HB 1 24 ILE MD 3.500 . 4.500 2.494 2.253 3.409 . 0 0 "[ . 1 . 2 . 3 . ]" 1
230 1 24 ILE HB 1 25 SER H 3.500 . 3.500 3.644 3.524 3.768 0.268 14 0 "[ . 1 . 2 . 3 . ]" 1
231 1 24 ILE MD 1 25 SER H 5.000 . 6.000 4.555 2.435 5.005 . 0 0 "[ . 1 . 2 . 3 . ]" 1
232 1 24 ILE MD 1 26 LEU QD 4.208 . 4.208 2.208 1.952 2.578 . 0 0 "[ . 1 . 2 . 3 . ]" 1
233 1 24 ILE QG 1 25 SER H 4.923 . 4.923 3.858 1.682 4.423 0.118 30 0 "[ . 1 . 2 . 3 . ]" 1
234 1 24 ILE MG 1 25 SER H 3.500 . 4.500 2.296 2.136 3.071 . 0 0 "[ . 1 . 2 . 3 . ]" 1
235 1 24 ILE MG 1 26 LEU QB 5.000 . 7.000 3.049 2.107 4.134 . 0 0 "[ . 1 . 2 . 3 . ]" 1
236 1 24 ILE MG 1 26 LEU QD 4.208 . 4.208 2.004 1.860 2.201 . 0 0 "[ . 1 . 2 . 3 . ]" 1
237 1 24 ILE MG 1 26 LEU HG 5.000 . 6.000 4.045 2.327 4.716 . 0 0 "[ . 1 . 2 . 3 . ]" 1
238 1 25 SER H 1 25 SER QB 3.388 . 3.388 2.572 2.391 3.038 . 0 0 "[ . 1 . 2 . 3 . ]" 1
239 1 25 SER H 1 26 LEU H 5.000 . 5.000 3.680 3.037 4.074 . 0 0 "[ . 1 . 2 . 3 . ]" 1
240 1 25 SER HA 1 26 LEU H 2.500 . 2.500 2.275 2.146 2.346 . 0 0 "[ . 1 . 2 . 3 . ]" 1
241 1 25 SER QB 1 26 LEU H 4.922 . 4.922 4.057 3.885 4.122 . 0 0 "[ . 1 . 2 . 3 . ]" 1
242 1 26 LEU H 1 26 LEU QB 3.389 . 3.389 2.388 2.208 2.725 . 0 0 "[ . 1 . 2 . 3 . ]" 1
243 1 26 LEU H 1 26 LEU HG 5.000 . 5.000 4.512 3.784 4.779 . 0 0 "[ . 1 . 2 . 3 . ]" 1
244 1 26 LEU H 1 27 ARG H 5.000 . 5.000 4.632 4.397 4.729 . 0 0 "[ . 1 . 2 . 3 . ]" 1
245 1 26 LEU HA 1 27 ARG H 2.500 . 2.500 2.240 2.092 2.355 . 0 0 "[ . 1 . 2 . 3 . ]" 1
246 1 26 LEU QB 1 27 ARG H 4.923 . 4.923 3.087 2.338 3.719 . 0 0 "[ . 1 . 2 . 3 . ]" 1
247 1 26 LEU QD 1 27 ARG H 5.058 . 5.058 3.225 2.144 3.934 . 0 0 "[ . 1 . 2 . 3 . ]" 1
248 1 26 LEU QD 1 28 CYS QB 6.089 . 6.089 2.957 2.282 4.032 . 0 0 "[ . 1 . 2 . 3 . ]" 1
249 1 27 ARG H 1 27 ARG QB 3.389 . 3.389 2.841 2.579 3.176 . 0 0 "[ . 1 . 2 . 3 . ]" 1
250 1 27 ARG H 1 27 ARG QG 4.224 . 4.224 3.402 2.647 3.699 . 0 0 "[ . 1 . 2 . 3 . ]" 1
251 1 27 ARG H 1 28 CYS H 2.500 . 2.500 2.661 2.574 2.725 0.225 7 0 "[ . 1 . 2 . 3 . ]" 1
252 1 27 ARG HA 1 28 CYS H 2.500 . 2.500 2.546 2.471 2.637 0.137 32 0 "[ . 1 . 2 . 3 . ]" 1
253 1 27 ARG HA 1 28 CYS QB 5.000 . 6.000 4.404 4.273 4.768 . 0 0 "[ . 1 . 2 . 3 . ]" 1
254 1 27 ARG QB 1 28 CYS H 4.923 . 4.923 3.889 3.708 3.995 . 0 0 "[ . 1 . 2 . 3 . ]" 1
255 1 27 ARG QG 1 28 CYS H 4.921 . 4.921 4.452 4.196 4.518 . 0 0 "[ . 1 . 2 . 3 . ]" 1
256 1 28 CYS H 1 28 CYS HA 2.500 . 2.500 2.717 2.632 2.858 0.358 32 0 "[ . 1 . 2 . 3 . ]" 1
257 1 28 CYS H 1 28 CYS QB 3.386 . 3.386 2.304 2.188 2.599 . 0 0 "[ . 1 . 2 . 3 . ]" 1
258 1 29 GLU H 1 29 GLU QG 4.923 . 4.923 3.467 2.390 4.369 . 0 0 "[ . 1 . 2 . 3 . ]" 1
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