NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
372703 |
1df6   |
4461 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1df6
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 341
_Distance_constraint_stats_list.Viol_count 514
_Distance_constraint_stats_list.Viol_total 438.650
_Distance_constraint_stats_list.Viol_max 0.196
_Distance_constraint_stats_list.Viol_rms 0.0217
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.0533
_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 0.000 0.000 . 0 "[ . 1 . ]"
1 2 CYS 0.765 0.111 15 0 "[ . 1 . ]"
1 3 VAL 0.662 0.061 11 0 "[ . 1 . ]"
1 4 TYR 2.426 0.122 6 0 "[ . 1 . ]"
1 5 ILE 3.208 0.144 3 0 "[ . 1 . ]"
1 6 PRO 0.475 0.111 15 0 "[ . 1 . ]"
1 7 CYS 0.471 0.084 3 0 "[ . 1 . ]"
1 8 THR 0.699 0.130 10 0 "[ . 1 . ]"
1 9 VAL 0.796 0.130 10 0 "[ . 1 . ]"
1 10 THR 0.469 0.031 14 0 "[ . 1 . ]"
1 11 ALA 1.344 0.111 16 0 "[ . 1 . ]"
1 12 LEU 1.384 0.083 6 0 "[ . 1 . ]"
1 13 LEU 4.184 0.185 9 0 "[ . 1 . ]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 15 CYS 0.322 0.043 1 0 "[ . 1 . ]"
1 16 SER 0.146 0.047 13 0 "[ . 1 . ]"
1 17 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 19 ASN 1.399 0.060 11 0 "[ . 1 . ]"
1 20 ARG 1.275 0.063 14 0 "[ . 1 . ]"
1 21 VAL 1.366 0.063 14 0 "[ . 1 . ]"
1 22 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 23 TYR 0.450 0.054 3 0 "[ . 1 . ]"
1 24 ASN 2.044 0.116 6 0 "[ . 1 . ]"
1 25 GLY 2.983 0.196 6 0 "[ . 1 . ]"
1 26 ILE 0.612 0.086 2 0 "[ . 1 . ]"
1 27 PRO 5.950 0.151 2 0 "[ . 1 . ]"
1 28 CYS 0.058 0.013 11 0 "[ . 1 . ]"
1 29 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 30 GLU 0.058 0.013 11 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 SER HA 1 2 CYS H 0.000 . 3.500 2.124 2.061 2.203 . 0 0 "[ . 1 . ]" 1
2 1 1 SER HA 1 2 CYS HA 0.000 . 5.000 4.407 4.374 4.433 . 0 0 "[ . 1 . ]" 1
3 1 1 SER HA 1 21 VAL HA 0.000 . 2.700 2.324 2.147 2.519 . 0 0 "[ . 1 . ]" 1
4 1 1 SER HA 1 22 CYS QB 0.000 . 6.000 5.174 4.511 5.347 . 0 0 "[ . 1 . ]" 1
5 1 1 SER QB 1 2 CYS H 0.000 . 3.700 2.931 2.732 3.412 . 0 0 "[ . 1 . ]" 1
6 1 1 SER QB 1 3 VAL H 0.000 . 7.000 2.871 2.561 3.439 . 0 0 "[ . 1 . ]" 1
7 1 1 SER QB 1 3 VAL MG2 0.000 . 6.000 2.316 2.098 2.647 . 0 0 "[ . 1 . ]" 1
8 1 1 SER QB 1 21 VAL HA 0.000 . 4.500 3.835 3.631 3.991 . 0 0 "[ . 1 . ]" 1
9 1 2 CYS H 1 3 VAL MG2 0.000 . 6.500 3.902 3.759 4.193 . 0 0 "[ . 1 . ]" 1
10 1 2 CYS H 1 21 VAL HA 0.000 . 3.500 2.941 2.370 3.344 . 0 0 "[ . 1 . ]" 1
11 1 2 CYS HA 1 3 VAL H 0.000 . 2.700 2.675 2.459 2.761 0.061 11 0 "[ . 1 . ]" 1
12 1 2 CYS HA 1 3 VAL HA 0.000 . 5.000 4.856 4.712 4.912 . 0 0 "[ . 1 . ]" 1
13 1 2 CYS HA 1 4 TYR H 0.000 . 6.000 3.893 3.640 4.218 . 0 0 "[ . 1 . ]" 1
14 1 2 CYS HA 1 5 ILE H 0.000 . 5.000 4.211 3.653 4.592 . 0 0 "[ . 1 . ]" 1
15 1 2 CYS HA 1 5 ILE HB 0.000 . 6.000 4.528 3.780 5.084 . 0 0 "[ . 1 . ]" 1
16 1 2 CYS HA 1 6 PRO HA 0.000 . 5.000 4.481 4.002 5.111 0.111 15 0 "[ . 1 . ]" 1
17 1 2 CYS HA 1 20 ARG QG 0.000 . 6.000 4.580 4.259 5.018 . 0 0 "[ . 1 . ]" 1
18 1 2 CYS QB 1 3 VAL H 0.000 . 6.000 3.884 3.795 3.982 . 0 0 "[ . 1 . ]" 1
19 1 2 CYS QB 1 6 PRO HA 0.000 . 4.500 2.399 2.012 2.998 . 0 0 "[ . 1 . ]" 1
20 1 2 CYS QB 1 6 PRO QB 0.000 . 8.000 3.952 3.667 4.250 . 0 0 "[ . 1 . ]" 1
21 1 2 CYS QB 1 7 CYS H 0.000 . 6.000 3.230 2.776 3.547 . 0 0 "[ . 1 . ]" 1
22 1 2 CYS QB 1 7 CYS HA 0.000 . 6.000 2.775 1.989 3.670 . 0 0 "[ . 1 . ]" 1
23 1 2 CYS QB 1 17 CYS HA 0.000 . 7.000 4.280 4.055 4.816 . 0 0 "[ . 1 . ]" 1
24 1 2 CYS QB 1 17 CYS QB 0.000 . 5.500 2.778 2.457 3.106 . 0 0 "[ . 1 . ]" 1
25 1 3 VAL H 1 3 VAL HA 0.000 . 2.700 2.670 2.612 2.747 0.047 16 0 "[ . 1 . ]" 1
26 1 3 VAL H 1 3 VAL HB 0.000 . 3.500 2.821 2.494 2.948 . 0 0 "[ . 1 . ]" 1
27 1 3 VAL H 1 3 VAL MG2 0.000 . 4.200 1.839 1.797 1.923 . 0 0 "[ . 1 . ]" 1
28 1 3 VAL H 1 4 TYR H 0.000 . 3.500 3.205 2.856 3.337 . 0 0 "[ . 1 . ]" 1
29 1 3 VAL H 1 5 ILE QG 0.000 . 7.500 3.702 3.284 4.209 . 0 0 "[ . 1 . ]" 1
30 1 3 VAL H 1 5 ILE MG 0.000 . 7.500 5.963 4.608 6.263 . 0 0 "[ . 1 . ]" 1
31 1 3 VAL H 1 20 ARG QB 0.000 . 6.000 3.194 2.683 3.970 . 0 0 "[ . 1 . ]" 1
32 1 3 VAL HA 1 4 TYR H 0.000 . 3.500 3.503 3.456 3.532 0.032 6 0 "[ . 1 . ]" 1
33 1 3 VAL HA 1 5 ILE H 0.000 . 6.000 5.343 4.789 5.493 . 0 0 "[ . 1 . ]" 1
34 1 3 VAL HA 1 20 ARG QB 0.000 . 6.000 2.287 1.990 2.688 . 0 0 "[ . 1 . ]" 1
35 1 3 VAL HA 1 20 ARG QD 0.000 . 4.500 2.774 2.499 3.196 . 0 0 "[ . 1 . ]" 1
36 1 3 VAL HA 1 20 ARG QG 0.000 . 4.500 2.208 1.987 2.506 . 0 0 "[ . 1 . ]" 1
37 1 3 VAL HB 1 4 TYR H 0.000 . 2.700 2.243 2.132 2.377 . 0 0 "[ . 1 . ]" 1
38 1 3 VAL HB 1 4 TYR QD 0.000 . 5.500 3.126 2.567 4.110 . 0 0 "[ . 1 . ]" 1
39 1 3 VAL HB 1 4 TYR QE 0.000 . 8.000 4.988 4.329 6.141 . 0 0 "[ . 1 . ]" 1
40 1 3 VAL HB 1 5 ILE H 0.000 . 5.000 3.861 3.675 4.160 . 0 0 "[ . 1 . ]" 1
41 1 3 VAL MG1 1 4 TYR H 0.000 . 4.200 3.260 2.617 3.468 . 0 0 "[ . 1 . ]" 1
42 1 3 VAL MG1 1 4 TYR HA 0.000 . 5.000 3.880 3.661 3.925 . 0 0 "[ . 1 . ]" 1
43 1 3 VAL MG1 1 4 TYR HB2 0.000 . 6.500 3.647 2.678 4.108 . 0 0 "[ . 1 . ]" 1
44 1 3 VAL MG1 1 4 TYR HB3 0.000 . 6.500 4.746 4.132 5.059 . 0 0 "[ . 1 . ]" 1
45 1 3 VAL MG1 1 4 TYR QD 0.000 . 6.200 2.271 2.008 2.415 . 0 0 "[ . 1 . ]" 1
46 1 3 VAL MG1 1 4 TYR QE 0.000 . 6.200 2.943 2.615 3.374 . 0 0 "[ . 1 . ]" 1
47 1 3 VAL MG1 1 5 ILE H 0.000 . 7.500 4.718 4.001 5.034 . 0 0 "[ . 1 . ]" 1
48 1 3 VAL MG1 1 20 ARG QB 0.000 . 7.500 3.933 3.542 4.476 . 0 0 "[ . 1 . ]" 1
49 1 3 VAL MG1 1 20 ARG QD 0.000 . 6.000 3.468 2.882 4.024 . 0 0 "[ . 1 . ]" 1
50 1 3 VAL MG2 1 4 TYR H 0.000 . 4.200 3.576 3.536 3.703 . 0 0 "[ . 1 . ]" 1
51 1 3 VAL MG2 1 4 TYR QD 0.000 . 7.000 4.292 4.013 4.519 . 0 0 "[ . 1 . ]" 1
52 1 3 VAL MG2 1 20 ARG HA 0.000 . 6.500 5.262 5.031 5.312 . 0 0 "[ . 1 . ]" 1
53 1 3 VAL MG2 1 20 ARG QB 0.000 . 7.500 3.156 2.745 3.467 . 0 0 "[ . 1 . ]" 1
54 1 3 VAL MG2 1 20 ARG QD 0.000 . 6.000 4.247 4.149 4.398 . 0 0 "[ . 1 . ]" 1
55 1 4 TYR H 1 4 TYR HB2 0.000 . 3.500 2.438 2.389 2.466 . 0 0 "[ . 1 . ]" 1
56 1 4 TYR H 1 4 TYR HB3 0.000 . 3.500 3.558 3.501 3.586 0.086 13 0 "[ . 1 . ]" 1
57 1 4 TYR H 1 5 ILE H 0.000 . 2.700 1.923 1.689 2.037 . 0 0 "[ . 1 . ]" 1
58 1 4 TYR H 1 5 ILE HB 0.000 . 5.000 5.081 5.044 5.122 0.122 6 0 "[ . 1 . ]" 1
59 1 4 TYR H 1 5 ILE QG 0.000 . 6.000 2.780 2.518 3.596 . 0 0 "[ . 1 . ]" 1
60 1 4 TYR H 1 5 ILE MG 0.000 . 6.500 4.005 2.750 4.420 . 0 0 "[ . 1 . ]" 1
61 1 4 TYR HA 1 4 TYR HB3 0.000 . 2.700 2.666 2.602 2.731 0.031 3 0 "[ . 1 . ]" 1
62 1 4 TYR HB2 1 5 ILE H 0.000 . 3.500 2.369 2.183 3.101 . 0 0 "[ . 1 . ]" 1
63 1 4 TYR HB2 1 5 ILE MG 0.000 . 5.000 3.426 2.994 3.826 . 0 0 "[ . 1 . ]" 1
64 1 4 TYR HB2 1 20 ARG QG 0.000 . 7.000 5.757 5.673 5.836 . 0 0 "[ . 1 . ]" 1
65 1 4 TYR HB3 1 5 ILE H 0.000 . 3.500 2.926 2.783 3.395 . 0 0 "[ . 1 . ]" 1
66 1 4 TYR HB3 1 5 ILE MG 0.000 . 5.000 3.469 3.187 3.885 . 0 0 "[ . 1 . ]" 1
67 1 4 TYR HB3 1 20 ARG QG 0.000 . 7.000 6.167 6.108 6.278 . 0 0 "[ . 1 . ]" 1
68 1 4 TYR QD 1 5 ILE QG 0.000 . 9.500 4.985 4.607 6.038 . 0 0 "[ . 1 . ]" 1
69 1 5 ILE H 1 5 ILE HA 0.000 . 2.700 2.810 2.779 2.844 0.144 3 0 "[ . 1 . ]" 1
70 1 5 ILE H 1 5 ILE HB 0.000 . 3.500 3.509 3.497 3.519 0.019 6 0 "[ . 1 . ]" 1
71 1 5 ILE H 1 5 ILE QG 0.000 . 3.700 2.018 1.865 2.872 . 0 0 "[ . 1 . ]" 1
72 1 5 ILE H 1 5 ILE MG 0.000 . 4.200 2.447 1.949 2.744 . 0 0 "[ . 1 . ]" 1
73 1 5 ILE HA 1 5 ILE HB 0.000 . 2.700 2.592 2.396 2.690 . 0 0 "[ . 1 . ]" 1
74 1 5 ILE HA 1 6 PRO QB 0.000 . 7.000 4.873 4.728 4.958 . 0 0 "[ . 1 . ]" 1
75 1 5 ILE HA 1 6 PRO QD 0.000 . 3.700 2.059 1.948 2.172 . 0 0 "[ . 1 . ]" 1
76 1 5 ILE HA 1 6 PRO QG 0.000 . 6.000 4.039 3.938 4.114 . 0 0 "[ . 1 . ]" 1
77 1 5 ILE QG 1 6 PRO HD2 0.000 . 5.000 2.885 2.562 3.113 . 0 0 "[ . 1 . ]" 1
78 1 5 ILE QG 1 6 PRO HD3 0.000 . 5.000 3.772 3.266 3.946 . 0 0 "[ . 1 . ]" 1
79 1 6 PRO HA 1 7 CYS H 0.000 . 3.500 2.864 2.515 3.525 0.025 15 0 "[ . 1 . ]" 1
80 1 6 PRO HA 1 7 CYS HA 0.000 . 5.000 4.496 4.331 4.799 . 0 0 "[ . 1 . ]" 1
81 1 6 PRO QB 1 7 CYS H 0.000 . 3.700 2.382 2.229 2.774 . 0 0 "[ . 1 . ]" 1
82 1 6 PRO QD 1 20 ARG QG 0.000 . 8.000 6.397 6.306 6.499 . 0 0 "[ . 1 . ]" 1
83 1 6 PRO QG 1 7 CYS H 0.000 . 4.500 3.753 2.393 4.123 . 0 0 "[ . 1 . ]" 1
84 1 6 PRO QG 1 8 THR H 0.000 . 7.000 4.259 2.975 4.644 . 0 0 "[ . 1 . ]" 1
85 1 7 CYS H 1 7 CYS HB2 0.000 . 3.500 2.920 2.511 3.584 0.084 3 0 "[ . 1 . ]" 1
86 1 7 CYS H 1 7 CYS HB3 0.000 . 3.500 2.747 2.194 3.248 . 0 0 "[ . 1 . ]" 1
87 1 7 CYS H 1 8 THR H 0.000 . 5.000 2.481 2.063 2.826 . 0 0 "[ . 1 . ]" 1
88 1 7 CYS H 1 8 THR MG 0.000 . 7.500 3.346 2.152 3.783 . 0 0 "[ . 1 . ]" 1
89 1 7 CYS HA 1 7 CYS HB2 0.000 . 2.700 2.489 2.327 2.575 . 0 0 "[ . 1 . ]" 1
90 1 7 CYS HA 1 8 THR MG 0.000 . 7.500 4.540 4.056 5.104 . 0 0 "[ . 1 . ]" 1
91 1 7 CYS HA 1 11 ALA MB 0.000 . 7.500 4.815 4.522 5.643 . 0 0 "[ . 1 . ]" 1
92 1 7 CYS HA 1 30 GLU QG 0.000 . 6.000 3.920 2.384 5.035 . 0 0 "[ . 1 . ]" 1
93 1 7 CYS QB 1 10 THR H 0.000 . 7.000 3.832 3.192 4.215 . 0 0 "[ . 1 . ]" 1
94 1 7 CYS HB2 1 8 THR H 0.000 . 5.000 3.590 3.443 3.827 . 0 0 "[ . 1 . ]" 1
95 1 7 CYS HB2 1 11 ALA MB 0.000 . 6.500 3.663 3.133 4.762 . 0 0 "[ . 1 . ]" 1
96 1 7 CYS HB3 1 8 THR H 0.000 . 6.000 2.226 1.976 2.474 . 0 0 "[ . 1 . ]" 1
97 1 7 CYS HB3 1 11 ALA MB 0.000 . 6.500 2.307 2.043 3.316 . 0 0 "[ . 1 . ]" 1
98 1 8 THR H 1 8 THR MG 0.000 . 4.200 2.520 2.268 3.511 . 0 0 "[ . 1 . ]" 1
99 1 8 THR H 1 9 VAL H 0.000 . 5.000 2.958 2.821 3.131 . 0 0 "[ . 1 . ]" 1
100 1 8 THR H 1 9 VAL MG2 0.000 . 6.500 4.675 4.392 4.777 . 0 0 "[ . 1 . ]" 1
101 1 8 THR H 1 10 THR H 0.000 . 5.000 4.696 4.184 5.011 0.011 3 0 "[ . 1 . ]" 1
102 1 8 THR H 1 11 ALA MB 0.000 . 7.500 2.690 2.331 3.126 . 0 0 "[ . 1 . ]" 1
103 1 8 THR HA 1 8 THR HB 0.000 . 2.700 2.635 2.535 2.730 0.030 11 0 "[ . 1 . ]" 1
104 1 8 THR HA 1 9 VAL H 0.000 . 2.700 2.701 2.488 2.830 0.130 10 0 "[ . 1 . ]" 1
105 1 8 THR HA 1 10 THR H 0.000 . 5.000 4.820 4.153 5.027 0.027 6 0 "[ . 1 . ]" 1
106 1 8 THR HA 1 11 ALA H 0.000 . 6.000 4.011 3.642 4.363 . 0 0 "[ . 1 . ]" 1
107 1 8 THR HA 1 11 ALA MB 0.000 . 6.500 2.776 2.391 3.315 . 0 0 "[ . 1 . ]" 1
108 1 8 THR HB 1 9 VAL MG2 0.000 . 5.000 3.981 3.904 4.109 . 0 0 "[ . 1 . ]" 1
109 1 8 THR HB 1 11 ALA MB 0.000 . 7.500 4.984 4.714 5.523 . 0 0 "[ . 1 . ]" 1
110 1 8 THR MG 1 9 VAL H 0.000 . 5.000 4.112 3.576 4.204 . 0 0 "[ . 1 . ]" 1
111 1 8 THR MG 1 9 VAL HA 0.000 . 6.500 5.336 4.047 5.563 . 0 0 "[ . 1 . ]" 1
112 1 8 THR MG 1 10 THR H 0.000 . 7.500 5.822 5.007 6.179 . 0 0 "[ . 1 . ]" 1
113 1 9 VAL H 1 9 VAL HB 0.000 . 3.500 2.813 2.716 2.956 . 0 0 "[ . 1 . ]" 1
114 1 9 VAL H 1 9 VAL MG2 0.000 . 4.200 3.216 2.904 3.350 . 0 0 "[ . 1 . ]" 1
115 1 9 VAL H 1 10 THR H 0.000 . 2.700 2.178 1.773 2.418 . 0 0 "[ . 1 . ]" 1
116 1 9 VAL H 1 10 THR MG 0.000 . 7.500 4.260 3.680 4.696 . 0 0 "[ . 1 . ]" 1
117 1 9 VAL HA 1 10 THR H 0.000 . 3.500 3.515 3.476 3.531 0.031 14 0 "[ . 1 . ]" 1
118 1 9 VAL HA 1 10 THR MG 0.000 . 6.500 4.446 4.233 4.615 . 0 0 "[ . 1 . ]" 1
119 1 9 VAL HB 1 10 THR H 0.000 . 2.700 2.306 1.970 2.719 0.019 7 0 "[ . 1 . ]" 1
120 1 9 VAL HB 1 10 THR HB 0.000 . 6.000 5.477 5.273 5.594 . 0 0 "[ . 1 . ]" 1
121 1 9 VAL HB 1 10 THR MG 0.000 . 5.000 2.967 2.387 3.521 . 0 0 "[ . 1 . ]" 1
122 1 9 VAL MG1 1 10 THR H 0.000 . 4.200 2.975 2.651 3.358 . 0 0 "[ . 1 . ]" 1
123 1 9 VAL MG2 1 10 THR H 0.000 . 5.000 3.809 3.649 4.013 . 0 0 "[ . 1 . ]" 1
124 1 10 THR H 1 11 ALA H 0.000 . 3.500 2.161 1.757 2.510 . 0 0 "[ . 1 . ]" 1
125 1 10 THR H 1 11 ALA MB 0.000 . 6.500 3.801 3.485 4.127 . 0 0 "[ . 1 . ]" 1
126 1 10 THR HA 1 10 THR HB 0.000 . 2.700 2.481 2.393 2.639 . 0 0 "[ . 1 . ]" 1
127 1 10 THR HA 1 11 ALA H 0.000 . 5.000 3.356 3.275 3.425 . 0 0 "[ . 1 . ]" 1
128 1 10 THR HA 1 12 LEU H 0.000 . 6.000 3.390 3.208 3.626 . 0 0 "[ . 1 . ]" 1
129 1 10 THR HA 1 13 LEU H 0.000 . 5.000 3.927 3.789 4.076 . 0 0 "[ . 1 . ]" 1
130 1 10 THR HA 1 13 LEU QB 0.000 . 6.000 4.980 4.364 5.214 . 0 0 "[ . 1 . ]" 1
131 1 10 THR HA 1 13 LEU QD 0.000 . 6.500 2.596 2.302 2.794 . 0 0 "[ . 1 . ]" 1
132 1 10 THR HA 1 13 LEU HG 0.000 . 5.000 4.506 4.253 4.627 . 0 0 "[ . 1 . ]" 1
133 1 10 THR HA 1 15 CYS QB 0.000 . 4.500 4.047 3.911 4.094 . 0 0 "[ . 1 . ]" 1
134 1 10 THR HA 1 28 CYS QB 0.000 . 4.500 4.085 3.890 4.112 . 0 0 "[ . 1 . ]" 1
135 1 10 THR HB 1 13 LEU QB 0.000 . 6.000 5.299 5.051 5.384 . 0 0 "[ . 1 . ]" 1
136 1 10 THR HB 1 13 LEU QD 0.000 . 6.500 2.288 2.125 2.486 . 0 0 "[ . 1 . ]" 1
137 1 10 THR HB 1 13 LEU HG 0.000 . 5.000 4.094 3.801 4.508 . 0 0 "[ . 1 . ]" 1
138 1 10 THR HB 1 15 CYS QB 0.000 . 6.000 2.759 2.459 3.125 . 0 0 "[ . 1 . ]" 1
139 1 10 THR HB 1 28 CYS QB 0.000 . 7.000 2.044 1.999 2.135 . 0 0 "[ . 1 . ]" 1
140 1 10 THR MG 1 11 ALA H 0.000 . 7.500 4.003 3.689 4.337 . 0 0 "[ . 1 . ]" 1
141 1 10 THR MG 1 15 CYS QB 0.000 . 7.500 3.855 3.582 3.938 . 0 0 "[ . 1 . ]" 1
142 1 10 THR MG 1 22 CYS QB 0.000 . 7.500 3.255 2.789 3.577 . 0 0 "[ . 1 . ]" 1
143 1 10 THR MG 1 28 CYS HA 0.000 . 6.500 4.105 3.730 4.496 . 0 0 "[ . 1 . ]" 1
144 1 10 THR MG 1 28 CYS QB 0.000 . 5.200 2.337 2.124 2.626 . 0 0 "[ . 1 . ]" 1
145 1 10 THR MG 1 29 ALA H 0.000 . 7.500 4.574 4.178 4.755 . 0 0 "[ . 1 . ]" 1
146 1 10 THR MG 1 30 GLU H 0.000 . 7.500 4.873 4.390 5.077 . 0 0 "[ . 1 . ]" 1
147 1 10 THR MG 1 30 GLU HA 0.000 . 6.500 5.161 4.588 5.352 . 0 0 "[ . 1 . ]" 1
148 1 10 THR MG 1 30 GLU QG 0.000 . 7.500 4.013 3.138 4.458 . 0 0 "[ . 1 . ]" 1
149 1 11 ALA H 1 11 ALA HA 0.000 . 2.700 2.784 2.760 2.811 0.111 16 0 "[ . 1 . ]" 1
150 1 11 ALA HA 1 12 LEU H 0.000 . 3.500 3.397 3.356 3.467 . 0 0 "[ . 1 . ]" 1
151 1 11 ALA HA 1 15 CYS H 0.000 . 5.000 2.252 2.093 2.596 . 0 0 "[ . 1 . ]" 1
152 1 11 ALA HA 1 15 CYS QB 0.000 . 7.000 2.636 2.102 3.327 . 0 0 "[ . 1 . ]" 1
153 1 11 ALA MB 1 12 LEU H 0.000 . 4.200 2.937 2.808 3.093 . 0 0 "[ . 1 . ]" 1
154 1 11 ALA MB 1 13 LEU H 0.000 . 7.500 4.698 4.587 4.797 . 0 0 "[ . 1 . ]" 1
155 1 11 ALA MB 1 14 GLY H 0.000 . 7.500 4.224 4.145 4.362 . 0 0 "[ . 1 . ]" 1
156 1 11 ALA MB 1 15 CYS H 0.000 . 7.500 3.922 3.770 4.202 . 0 0 "[ . 1 . ]" 1
157 1 12 LEU H 1 12 LEU HA 0.000 . 2.700 2.767 2.756 2.783 0.083 6 0 "[ . 1 . ]" 1
158 1 12 LEU H 1 12 LEU QB 0.000 . 3.700 2.366 2.016 2.497 . 0 0 "[ . 1 . ]" 1
159 1 12 LEU H 1 12 LEU HG 0.000 . 3.500 2.497 1.958 3.466 . 0 0 "[ . 1 . ]" 1
160 1 12 LEU H 1 13 LEU H 0.000 . 3.500 2.840 2.740 2.896 . 0 0 "[ . 1 . ]" 1
161 1 12 LEU HA 1 13 LEU H 0.000 . 3.500 3.519 3.506 3.527 0.027 13 0 "[ . 1 . ]" 1
162 1 12 LEU HA 1 14 GLY H 0.000 . 5.000 3.942 3.749 4.092 . 0 0 "[ . 1 . ]" 1
163 1 13 LEU H 1 13 LEU HA 0.000 . 2.700 2.879 2.876 2.885 0.185 9 0 "[ . 1 . ]" 1
164 1 13 LEU H 1 13 LEU QB 0.000 . 3.700 2.645 2.451 2.830 . 0 0 "[ . 1 . ]" 1
165 1 13 LEU H 1 13 LEU HG 0.000 . 3.500 2.286 2.104 2.620 . 0 0 "[ . 1 . ]" 1
166 1 13 LEU H 1 14 GLY H 0.000 . 3.500 2.363 2.274 2.631 . 0 0 "[ . 1 . ]" 1
167 1 13 LEU H 1 15 CYS H 0.000 . 5.000 3.394 3.311 3.515 . 0 0 "[ . 1 . ]" 1
168 1 13 LEU HA 1 13 LEU HG 0.000 . 3.500 3.555 3.545 3.573 0.073 6 0 "[ . 1 . ]" 1
169 1 13 LEU HA 1 14 GLY H 0.000 . 3.500 3.265 3.079 3.331 . 0 0 "[ . 1 . ]" 1
170 1 13 LEU HA 1 15 CYS H 0.000 . 5.000 4.984 4.873 5.034 0.034 2 0 "[ . 1 . ]" 1
171 1 13 LEU QB 1 14 GLY H 0.000 . 7.000 3.804 3.718 3.956 . 0 0 "[ . 1 . ]" 1
172 1 13 LEU QB 1 15 CYS H 0.000 . 7.000 4.596 4.447 4.720 . 0 0 "[ . 1 . ]" 1
173 1 13 LEU QB 1 24 ASN HD21 0.000 . 6.000 3.374 2.638 3.896 . 0 0 "[ . 1 . ]" 1
174 1 13 LEU QB 1 24 ASN HD22 0.000 . 6.000 3.805 2.861 4.287 . 0 0 "[ . 1 . ]" 1
175 1 13 LEU QD 1 24 ASN HD21 0.000 . 9.000 1.757 1.724 1.810 . 0 0 "[ . 1 . ]" 1
176 1 13 LEU QD 1 26 ILE H 0.000 . 8.000 5.382 4.914 5.713 . 0 0 "[ . 1 . ]" 1
177 1 14 GLY H 1 15 CYS H 0.000 . 3.500 2.097 1.942 2.380 . 0 0 "[ . 1 . ]" 1
178 1 14 GLY QA 1 15 CYS H 0.000 . 6.000 2.835 2.720 2.930 . 0 0 "[ . 1 . ]" 1
179 1 15 CYS H 1 15 CYS HB2 0.000 . 3.500 2.302 2.223 2.394 . 0 0 "[ . 1 . ]" 1
180 1 15 CYS H 1 15 CYS HB3 0.000 . 3.500 3.028 2.744 3.543 0.043 1 0 "[ . 1 . ]" 1
181 1 15 CYS HA 1 16 SER H 0.000 . 3.500 2.137 1.992 2.256 . 0 0 "[ . 1 . ]" 1
182 1 15 CYS HA 1 24 ASN HB2 0.000 . 3.500 2.003 1.887 2.076 . 0 0 "[ . 1 . ]" 1
183 1 15 CYS HA 1 24 ASN HB3 0.000 . 5.000 3.630 3.507 3.722 . 0 0 "[ . 1 . ]" 1
184 1 15 CYS QB 1 16 SER H 0.000 . 4.500 3.893 3.750 3.961 . 0 0 "[ . 1 . ]" 1
185 1 15 CYS QB 1 22 CYS HA 0.000 . 6.000 3.727 3.354 4.141 . 0 0 "[ . 1 . ]" 1
186 1 15 CYS QB 1 22 CYS QB 0.000 . 5.500 2.143 1.955 2.911 . 0 0 "[ . 1 . ]" 1
187 1 15 CYS QB 1 23 TYR HA 0.000 . 7.000 4.555 3.969 4.813 . 0 0 "[ . 1 . ]" 1
188 1 15 CYS QB 1 23 TYR QB 0.000 . 7.000 5.367 4.977 5.572 . 0 0 "[ . 1 . ]" 1
189 1 15 CYS QB 1 28 CYS QB 0.000 . 5.500 2.918 2.568 3.067 . 0 0 "[ . 1 . ]" 1
190 1 15 CYS HB2 1 23 TYR H 0.000 . 5.000 4.879 4.575 5.043 0.043 16 0 "[ . 1 . ]" 1
191 1 15 CYS HB3 1 23 TYR H 0.000 . 5.000 3.823 3.344 4.144 . 0 0 "[ . 1 . ]" 1
192 1 16 SER H 1 16 SER QB 0.000 . 3.700 2.457 2.376 2.520 . 0 0 "[ . 1 . ]" 1
193 1 16 SER H 1 17 CYS H 0.000 . 6.000 4.480 4.368 4.543 . 0 0 "[ . 1 . ]" 1
194 1 16 SER H 1 22 CYS QB 0.000 . 6.000 5.182 5.010 5.320 . 0 0 "[ . 1 . ]" 1
195 1 16 SER H 1 23 TYR H 0.000 . 3.500 3.372 2.954 3.547 0.047 13 0 "[ . 1 . ]" 1
196 1 16 SER H 1 23 TYR QB 0.000 . 6.000 4.197 3.866 4.392 . 0 0 "[ . 1 . ]" 1
197 1 16 SER QB 1 17 CYS H 0.000 . 3.700 3.277 3.228 3.328 . 0 0 "[ . 1 . ]" 1
198 1 16 SER QB 1 23 TYR QD 0.000 . 9.000 5.358 5.314 5.424 . 0 0 "[ . 1 . ]" 1
199 1 16 SER QB 1 23 TYR QE 0.000 . 9.000 7.246 7.206 7.302 . 0 0 "[ . 1 . ]" 1
200 1 17 CYS H 1 17 CYS QB 0.000 . 3.700 2.239 2.205 2.270 . 0 0 "[ . 1 . ]" 1
201 1 17 CYS H 1 18 SER H 0.000 . 6.000 4.227 3.993 4.577 . 0 0 "[ . 1 . ]" 1
202 1 17 CYS HA 1 18 SER H 0.000 . 5.000 2.182 2.021 2.270 . 0 0 "[ . 1 . ]" 1
203 1 17 CYS HA 1 22 CYS HA 0.000 . 2.700 2.288 1.969 2.458 . 0 0 "[ . 1 . ]" 1
204 1 17 CYS HA 1 22 CYS QB 0.000 . 6.000 4.314 4.114 4.492 . 0 0 "[ . 1 . ]" 1
205 1 17 CYS QB 1 18 SER H 0.000 . 6.000 3.774 3.375 4.011 . 0 0 "[ . 1 . ]" 1
206 1 18 SER H 1 18 SER QB 0.000 . 3.700 2.645 2.356 3.209 . 0 0 "[ . 1 . ]" 1
207 1 18 SER H 1 20 ARG H 0.000 . 6.000 4.321 3.677 4.569 . 0 0 "[ . 1 . ]" 1
208 1 18 SER H 1 21 VAL H 0.000 . 3.500 2.981 2.266 3.322 . 0 0 "[ . 1 . ]" 1
209 1 18 SER H 1 21 VAL HB 0.000 . 5.000 4.044 3.560 4.347 . 0 0 "[ . 1 . ]" 1
210 1 18 SER H 1 21 VAL MG1 0.000 . 7.500 4.405 4.243 4.541 . 0 0 "[ . 1 . ]" 1
211 1 18 SER H 1 21 VAL MG2 0.000 . 6.500 5.190 4.668 5.453 . 0 0 "[ . 1 . ]" 1
212 1 18 SER H 1 23 TYR H 0.000 . 6.000 3.388 3.026 4.120 . 0 0 "[ . 1 . ]" 1
213 1 18 SER H 1 23 TYR QD 0.000 . 7.000 3.715 3.505 3.979 . 0 0 "[ . 1 . ]" 1
214 1 18 SER HA 1 19 ASN H 0.000 . 2.700 2.178 2.150 2.216 . 0 0 "[ . 1 . ]" 1
215 1 18 SER HA 1 19 ASN HB3 0.000 . 6.000 4.846 4.736 4.989 . 0 0 "[ . 1 . ]" 1
216 1 18 SER HA 1 20 ARG H 0.000 . 6.000 3.760 3.579 3.908 . 0 0 "[ . 1 . ]" 1
217 1 18 SER HA 1 23 TYR QB 0.000 . 6.000 4.512 4.205 4.844 . 0 0 "[ . 1 . ]" 1
218 1 18 SER QB 1 19 ASN H 0.000 . 4.500 3.358 3.086 3.852 . 0 0 "[ . 1 . ]" 1
219 1 18 SER QB 1 21 VAL H 0.000 . 7.000 4.295 4.049 4.910 . 0 0 "[ . 1 . ]" 1
220 1 18 SER QB 1 23 TYR QD 0.000 . 5.700 3.013 2.372 4.028 . 0 0 "[ . 1 . ]" 1
221 1 18 SER QB 1 23 TYR QE 0.000 . 8.000 4.486 3.845 5.346 . 0 0 "[ . 1 . ]" 1
222 1 19 ASN H 1 19 ASN HA 0.000 . 2.700 2.323 2.312 2.336 . 0 0 "[ . 1 . ]" 1
223 1 19 ASN H 1 19 ASN HB3 0.000 . 3.500 3.108 3.010 3.185 . 0 0 "[ . 1 . ]" 1
224 1 19 ASN H 1 20 ARG H 0.000 . 2.700 2.744 2.719 2.758 0.058 4 0 "[ . 1 . ]" 1
225 1 19 ASN H 1 20 ARG HA 0.000 . 5.000 4.991 4.971 5.006 0.006 7 0 "[ . 1 . ]" 1
226 1 19 ASN H 1 20 ARG QG 0.000 . 7.000 5.288 5.082 5.577 . 0 0 "[ . 1 . ]" 1
227 1 19 ASN H 1 21 VAL H 0.000 . 6.000 4.224 4.173 4.307 . 0 0 "[ . 1 . ]" 1
228 1 19 ASN HA 1 19 ASN HB2 0.000 . 2.700 2.513 2.429 2.562 . 0 0 "[ . 1 . ]" 1
229 1 19 ASN HA 1 19 ASN HB3 0.000 . 2.700 2.474 2.431 2.561 . 0 0 "[ . 1 . ]" 1
230 1 19 ASN HA 1 20 ARG H 0.000 . 2.700 2.634 2.558 2.708 0.008 6 0 "[ . 1 . ]" 1
231 1 19 ASN HA 1 21 VAL H 0.000 . 6.000 4.510 4.412 4.629 . 0 0 "[ . 1 . ]" 1
232 1 19 ASN HB2 1 19 ASN HD21 0.000 . 3.500 3.505 3.500 3.509 0.009 15 0 "[ . 1 . ]" 1
233 1 19 ASN HB2 1 20 ARG H 0.000 . 5.000 4.395 4.343 4.482 . 0 0 "[ . 1 . ]" 1
234 1 19 ASN HB2 1 21 VAL H 0.000 . 5.000 5.037 5.003 5.060 0.060 11 0 "[ . 1 . ]" 1
235 1 19 ASN HB2 1 21 VAL MG1 0.000 . 7.500 5.901 5.832 5.998 . 0 0 "[ . 1 . ]" 1
236 1 19 ASN HB3 1 19 ASN HD21 0.000 . 2.700 2.328 2.318 2.340 . 0 0 "[ . 1 . ]" 1
237 1 19 ASN HB3 1 20 ARG H 0.000 . 5.000 4.556 4.523 4.574 . 0 0 "[ . 1 . ]" 1
238 1 19 ASN HB3 1 21 VAL H 0.000 . 6.000 5.392 5.123 5.564 . 0 0 "[ . 1 . ]" 1
239 1 19 ASN HB3 1 21 VAL MG2 0.000 . 6.500 5.076 4.926 5.221 . 0 0 "[ . 1 . ]" 1
240 1 20 ARG H 1 20 ARG HA 0.000 . 2.700 2.309 2.300 2.319 . 0 0 "[ . 1 . ]" 1
241 1 20 ARG H 1 20 ARG QD 0.000 . 6.000 4.265 3.741 4.527 . 0 0 "[ . 1 . ]" 1
242 1 20 ARG H 1 20 ARG QG 0.000 . 4.500 2.954 2.841 3.188 . 0 0 "[ . 1 . ]" 1
243 1 20 ARG H 1 21 VAL H 0.000 . 3.500 2.684 2.634 2.728 . 0 0 "[ . 1 . ]" 1
244 1 20 ARG HA 1 20 ARG QD 0.000 . 4.500 4.026 3.850 4.102 . 0 0 "[ . 1 . ]" 1
245 1 20 ARG HA 1 20 ARG QG 0.000 . 3.700 2.201 2.078 2.255 . 0 0 "[ . 1 . ]" 1
246 1 20 ARG HA 1 21 VAL H 0.000 . 2.700 2.734 2.704 2.763 0.063 14 0 "[ . 1 . ]" 1
247 1 20 ARG QB 1 21 VAL H 0.000 . 6.000 3.798 3.744 3.848 . 0 0 "[ . 1 . ]" 1
248 1 20 ARG QG 1 21 VAL H 0.000 . 6.000 4.485 4.426 4.584 . 0 0 "[ . 1 . ]" 1
249 1 21 VAL H 1 21 VAL HB 0.000 . 2.700 2.715 2.699 2.737 0.037 4 0 "[ . 1 . ]" 1
250 1 21 VAL H 1 21 VAL MG2 0.000 . 4.200 3.122 3.084 3.174 . 0 0 "[ . 1 . ]" 1
251 1 21 VAL HA 1 22 CYS H 0.000 . 3.500 2.211 2.156 2.290 . 0 0 "[ . 1 . ]" 1
252 1 21 VAL HB 1 22 CYS H 0.000 . 5.000 4.380 4.198 4.483 . 0 0 "[ . 1 . ]" 1
253 1 21 VAL HB 1 23 TYR QD 0.000 . 7.000 2.819 2.630 3.045 . 0 0 "[ . 1 . ]" 1
254 1 21 VAL HB 1 23 TYR QE 0.000 . 5.500 3.583 3.206 3.758 . 0 0 "[ . 1 . ]" 1
255 1 21 VAL MG1 1 22 CYS H 0.000 . 4.200 2.904 2.490 3.165 . 0 0 "[ . 1 . ]" 1
256 1 21 VAL MG1 1 23 TYR HA 0.000 . 6.500 4.051 3.922 4.190 . 0 0 "[ . 1 . ]" 1
257 1 21 VAL MG1 1 23 TYR QD 0.000 . 7.000 2.237 2.142 2.361 . 0 0 "[ . 1 . ]" 1
258 1 21 VAL MG1 1 23 TYR QE 0.000 . 7.000 2.515 2.336 2.731 . 0 0 "[ . 1 . ]" 1
259 1 21 VAL MG1 1 28 CYS H 0.000 . 6.500 3.753 3.573 3.856 . 0 0 "[ . 1 . ]" 1
260 1 21 VAL MG1 1 30 GLU H 0.000 . 7.500 5.270 5.075 5.426 . 0 0 "[ . 1 . ]" 1
261 1 21 VAL MG2 1 22 CYS H 0.000 . 6.500 4.031 3.867 4.169 . 0 0 "[ . 1 . ]" 1
262 1 21 VAL MG2 1 22 CYS QB 0.000 . 8.500 5.617 5.415 5.767 . 0 0 "[ . 1 . ]" 1
263 1 21 VAL MG2 1 23 TYR QD 0.000 . 8.500 4.250 4.107 4.459 . 0 0 "[ . 1 . ]" 1
264 1 21 VAL MG2 1 23 TYR QE 0.000 . 8.500 4.069 3.861 4.258 . 0 0 "[ . 1 . ]" 1
265 1 21 VAL MG2 1 28 CYS H 0.000 . 7.500 6.193 6.036 6.236 . 0 0 "[ . 1 . ]" 1
266 1 21 VAL MG2 1 30 GLU H 0.000 . 7.500 6.060 6.048 6.077 . 0 0 "[ . 1 . ]" 1
267 1 22 CYS HA 1 23 TYR H 0.000 . 2.700 2.173 2.123 2.248 . 0 0 "[ . 1 . ]" 1
268 1 22 CYS QB 1 23 TYR H 0.000 . 4.500 3.294 3.115 3.579 . 0 0 "[ . 1 . ]" 1
269 1 22 CYS QB 1 23 TYR HA 0.000 . 6.000 4.188 4.113 4.291 . 0 0 "[ . 1 . ]" 1
270 1 22 CYS QB 1 28 CYS QB 0.000 . 5.500 2.686 2.211 3.647 . 0 0 "[ . 1 . ]" 1
271 1 22 CYS QB 1 30 GLU H 0.000 . 7.000 5.548 5.075 5.803 . 0 0 "[ . 1 . ]" 1
272 1 22 CYS QB 1 30 GLU QB 0.000 . 5.500 3.674 3.026 3.975 . 0 0 "[ . 1 . ]" 1
273 1 23 TYR H 1 23 TYR QB 0.000 . 3.700 2.562 2.545 2.581 . 0 0 "[ . 1 . ]" 1
274 1 23 TYR HA 1 24 ASN H 0.000 . 3.500 2.115 2.069 2.204 . 0 0 "[ . 1 . ]" 1
275 1 23 TYR HA 1 27 PRO HA 0.000 . 2.700 2.206 2.170 2.251 . 0 0 "[ . 1 . ]" 1
276 1 23 TYR HA 1 27 PRO QB 0.000 . 4.500 3.808 3.654 4.021 . 0 0 "[ . 1 . ]" 1
277 1 23 TYR HA 1 27 PRO HG2 0.000 . 6.000 6.010 5.952 6.054 0.054 3 0 "[ . 1 . ]" 1
278 1 23 TYR HA 1 27 PRO HG3 0.000 . 6.000 5.731 5.500 6.004 0.004 15 0 "[ . 1 . ]" 1
279 1 23 TYR HA 1 28 CYS H 0.000 . 5.000 3.890 3.690 4.043 . 0 0 "[ . 1 . ]" 1
280 1 23 TYR HA 1 28 CYS QB 0.000 . 7.000 4.995 4.546 5.237 . 0 0 "[ . 1 . ]" 1
281 1 23 TYR QB 1 24 ASN H 0.000 . 4.500 3.523 3.288 3.840 . 0 0 "[ . 1 . ]" 1
282 1 23 TYR QD 1 24 ASN H 0.000 . 7.000 3.031 2.466 3.888 . 0 0 "[ . 1 . ]" 1
283 1 23 TYR QD 1 26 ILE HB 0.000 . 7.000 5.486 5.281 5.748 . 0 0 "[ . 1 . ]" 1
284 1 23 TYR QD 1 27 PRO HA 0.000 . 5.500 3.544 3.301 3.741 . 0 0 "[ . 1 . ]" 1
285 1 23 TYR QD 1 27 PRO QB 0.000 . 8.000 3.537 3.367 3.694 . 0 0 "[ . 1 . ]" 1
286 1 23 TYR QE 1 26 ILE HB 0.000 . 7.000 4.781 4.565 4.991 . 0 0 "[ . 1 . ]" 1
287 1 24 ASN H 1 24 ASN HB2 0.000 . 3.500 2.987 2.629 3.245 . 0 0 "[ . 1 . ]" 1
288 1 24 ASN H 1 24 ASN HB3 0.000 . 3.500 2.981 2.651 3.220 . 0 0 "[ . 1 . ]" 1
289 1 24 ASN H 1 25 GLY H 0.000 . 5.000 2.954 2.757 3.305 . 0 0 "[ . 1 . ]" 1
290 1 24 ASN H 1 26 ILE H 0.000 . 3.500 2.820 2.480 3.273 . 0 0 "[ . 1 . ]" 1
291 1 24 ASN H 1 26 ILE MG 0.000 . 6.500 4.650 3.969 5.462 . 0 0 "[ . 1 . ]" 1
292 1 24 ASN H 1 28 CYS H 0.000 . 6.000 4.893 4.450 5.250 . 0 0 "[ . 1 . ]" 1
293 1 24 ASN HA 1 25 GLY H 0.000 . 2.700 2.536 2.477 2.611 . 0 0 "[ . 1 . ]" 1
294 1 24 ASN HB2 1 24 ASN HD21 0.000 . 2.700 2.402 2.341 2.715 0.015 15 0 "[ . 1 . ]" 1
295 1 24 ASN HB2 1 24 ASN HD22 0.000 . 3.500 3.523 3.504 3.615 0.115 15 0 "[ . 1 . ]" 1
296 1 24 ASN HB3 1 24 ASN HD21 0.000 . 2.700 2.657 2.340 2.715 0.015 13 0 "[ . 1 . ]" 1
297 1 24 ASN HB3 1 24 ASN HD22 0.000 . 3.500 3.599 3.508 3.616 0.116 6 0 "[ . 1 . ]" 1
298 1 25 GLY H 1 25 GLY HA2 0.000 . 2.700 2.339 2.329 2.349 . 0 0 "[ . 1 . ]" 1
299 1 25 GLY H 1 25 GLY HA3 0.000 . 2.700 2.886 2.877 2.896 0.196 6 0 "[ . 1 . ]" 1
300 1 25 GLY H 1 26 ILE H 0.000 . 5.000 2.991 2.848 3.167 . 0 0 "[ . 1 . ]" 1
301 1 25 GLY QA 1 26 ILE H 0.000 . 4.500 2.605 2.507 2.702 . 0 0 "[ . 1 . ]" 1
302 1 26 ILE H 1 26 ILE HB 0.000 . 3.500 3.242 2.862 3.586 0.086 2 0 "[ . 1 . ]" 1
303 1 26 ILE H 1 26 ILE MG 0.000 . 4.200 2.859 2.379 3.465 . 0 0 "[ . 1 . ]" 1
304 1 26 ILE HA 1 26 ILE HB 0.000 . 2.700 2.673 2.608 2.713 0.013 6 0 "[ . 1 . ]" 1
305 1 26 ILE HA 1 27 PRO HB2 0.000 . 6.000 5.663 5.634 5.696 . 0 0 "[ . 1 . ]" 1
306 1 26 ILE HA 1 27 PRO HB3 0.000 . 5.000 4.987 4.931 5.013 0.013 10 0 "[ . 1 . ]" 1
307 1 26 ILE HA 1 27 PRO HD2 0.000 . 3.500 2.700 2.529 2.846 . 0 0 "[ . 1 . ]" 1
308 1 26 ILE HA 1 27 PRO HD3 0.000 . 3.500 2.231 2.154 2.319 . 0 0 "[ . 1 . ]" 1
309 1 26 ILE HA 1 27 PRO QG 0.000 . 6.500 4.111 4.067 4.171 . 0 0 "[ . 1 . ]" 1
310 1 26 ILE MG 1 27 PRO HD2 0.000 . 5.000 3.119 2.753 3.234 . 0 0 "[ . 1 . ]" 1
311 1 26 ILE MG 1 27 PRO HD3 0.000 . 5.000 3.896 3.301 4.129 . 0 0 "[ . 1 . ]" 1
312 1 27 PRO HA 1 27 PRO HB2 0.000 . 2.700 2.754 2.745 2.761 0.061 7 0 "[ . 1 . ]" 1
313 1 27 PRO HA 1 27 PRO HB3 0.000 . 2.700 2.275 2.262 2.289 . 0 0 "[ . 1 . ]" 1
314 1 27 PRO HA 1 27 PRO HD3 0.000 . 3.500 3.571 3.555 3.597 0.097 4 0 "[ . 1 . ]" 1
315 1 27 PRO HA 1 28 CYS H 0.000 . 3.500 2.476 2.407 2.534 . 0 0 "[ . 1 . ]" 1
316 1 27 PRO HA 1 28 CYS HA 0.000 . 5.000 4.592 4.562 4.611 . 0 0 "[ . 1 . ]" 1
317 1 27 PRO HB2 1 27 PRO HG3 0.000 . 2.700 2.724 2.713 2.733 0.033 7 0 "[ . 1 . ]" 1
318 1 27 PRO HB3 1 27 PRO HD3 0.000 . 3.500 3.221 3.142 3.277 . 0 0 "[ . 1 . ]" 1
319 1 27 PRO HB3 1 27 PRO HG2 0.000 . 2.700 2.844 2.838 2.851 0.151 2 0 "[ . 1 . ]" 1
320 1 27 PRO HB3 1 28 CYS H 0.000 . 3.500 3.206 3.151 3.277 . 0 0 "[ . 1 . ]" 1
321 1 27 PRO HB3 1 29 ALA H 0.000 . 5.000 3.885 3.796 4.011 . 0 0 "[ . 1 . ]" 1
322 1 27 PRO HD2 1 27 PRO HG3 0.000 . 2.700 2.763 2.751 2.771 0.071 4 0 "[ . 1 . ]" 1
323 1 27 PRO HD3 1 27 PRO HG3 0.000 . 2.700 2.318 2.305 2.337 . 0 0 "[ . 1 . ]" 1
324 1 27 PRO QG 1 28 CYS H 0.000 . 4.500 4.051 4.010 4.083 . 0 0 "[ . 1 . ]" 1
325 1 27 PRO HG2 1 29 ALA H 0.000 . 5.000 4.153 4.009 4.334 . 0 0 "[ . 1 . ]" 1
326 1 28 CYS H 1 28 CYS QB 0.000 . 3.700 2.980 2.876 3.224 . 0 0 "[ . 1 . ]" 1
327 1 28 CYS H 1 29 ALA H 0.000 . 5.000 1.992 1.753 2.124 . 0 0 "[ . 1 . ]" 1
328 1 28 CYS H 1 30 GLU H 0.000 . 6.000 5.980 5.902 6.013 0.013 11 0 "[ . 1 . ]" 1
329 1 28 CYS HA 1 29 ALA H 0.000 . 5.000 2.975 2.888 3.157 . 0 0 "[ . 1 . ]" 1
330 1 28 CYS HA 1 29 ALA MB 0.000 . 6.500 3.801 3.788 3.854 . 0 0 "[ . 1 . ]" 1
331 1 28 CYS QB 1 29 ALA H 0.000 . 4.500 3.737 3.664 3.881 . 0 0 "[ . 1 . ]" 1
332 1 28 CYS QB 1 29 ALA MB 0.000 . 8.500 4.131 4.103 4.226 . 0 0 "[ . 1 . ]" 1
333 1 28 CYS QB 1 30 GLU QB 0.000 . 7.000 4.621 4.351 4.886 . 0 0 "[ . 1 . ]" 1
334 1 29 ALA H 1 29 ALA HA 0.000 . 2.700 2.318 2.313 2.325 . 0 0 "[ . 1 . ]" 1
335 1 29 ALA H 1 30 GLU H 0.000 . 5.000 4.535 4.434 4.600 . 0 0 "[ . 1 . ]" 1
336 1 29 ALA HA 1 30 GLU H 0.000 . 2.700 2.534 2.376 2.652 . 0 0 "[ . 1 . ]" 1
337 1 29 ALA MB 1 30 GLU H 0.000 . 4.200 2.250 2.106 2.418 . 0 0 "[ . 1 . ]" 1
338 1 29 ALA MB 1 30 GLU HA 0.000 . 6.500 3.982 3.902 4.086 . 0 0 "[ . 1 . ]" 1
339 1 30 GLU H 1 30 GLU HA 0.000 . 2.700 2.309 2.298 2.318 . 0 0 "[ . 1 . ]" 1
340 1 30 GLU H 1 30 GLU QB 0.000 . 3.700 3.050 3.024 3.094 . 0 0 "[ . 1 . ]" 1
341 1 30 GLU HA 1 30 GLU QG 0.000 . 3.700 2.605 2.246 3.065 . 0 0 "[ . 1 . ]" 1
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