NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
482361 |
1nrb   |
4043 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1nrb
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 798
_Distance_constraint_stats_list.Viol_count 1173
_Distance_constraint_stats_list.Viol_total 2601.889
_Distance_constraint_stats_list.Viol_max 0.825
_Distance_constraint_stats_list.Viol_rms 0.0415
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0082
_Distance_constraint_stats_list.Viol_average_violations_only 0.1109
_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 0.632 0.088 1 0 "[ . 1 . 2]"
1 2 LYS 0.300 0.056 3 0 "[ . 1 . 2]"
1 3 ASP 4.963 0.220 7 0 "[ . 1 . 2]"
1 4 GLY 0.489 0.096 10 0 "[ . 1 . 2]"
1 5 TYR 0.434 0.096 10 0 "[ . 1 . 2]"
1 6 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 VAL 2.066 0.154 1 0 "[ . 1 . 2]"
1 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASN 4.769 0.277 14 0 "[ . 1 . 2]"
1 12 CYS 4.613 0.277 14 0 "[ . 1 . 2]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 CYS 0.484 0.104 1 0 "[ . 1 . 2]"
1 17 LEU 0.811 0.347 14 0 "[ . 1 . 2]"
1 18 LYS 0.481 0.064 5 0 "[ . 1 . 2]"
1 19 ASP 0.594 0.117 1 0 "[ . 1 . 2]"
1 20 ASP 5.843 0.272 6 0 "[ . 1 . 2]"
1 21 TYR 0.286 0.065 10 0 "[ . 1 . 2]"
1 22 CYS 1.643 0.152 20 0 "[ . 1 . 2]"
1 23 ASN 16.138 0.303 13 0 "[ . 1 . 2]"
1 24 ASP 9.063 0.303 13 0 "[ . 1 . 2]"
1 25 LEU 3.414 0.126 11 0 "[ . 1 . 2]"
1 26 CYS 10.638 0.273 12 0 "[ . 1 . 2]"
1 27 LEU 4.658 0.219 19 0 "[ . 1 . 2]"
1 28 GLU 6.776 0.217 7 0 "[ . 1 . 2]"
1 29 ARG 8.507 0.218 13 0 "[ . 1 . 2]"
1 30 LYS 3.059 0.183 11 0 "[ . 1 . 2]"
1 31 ALA 0.381 0.102 18 0 "[ . 1 . 2]"
1 32 ASP 8.226 0.201 19 0 "[ . 1 . 2]"
1 33 LYS 2.959 0.164 9 0 "[ . 1 . 2]"
1 34 GLY 0.588 0.128 15 0 "[ . 1 . 2]"
1 35 TYR 4.587 0.471 15 0 "[ . 1 . 2]"
1 36 CYS 9.146 0.471 15 0 "[ . 1 . 2]"
1 37 TYR 1.183 0.136 17 0 "[ . 1 . 2]"
1 38 TRP 0.142 0.059 14 0 "[ . 1 . 2]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LYS 0.058 0.041 6 0 "[ . 1 . 2]"
1 41 VAL 0.235 0.069 19 0 "[ . 1 . 2]"
1 42 SER 2.171 0.164 4 0 "[ . 1 . 2]"
1 43 CYS 1.476 0.164 4 0 "[ . 1 . 2]"
1 44 TYR 2.834 0.167 7 0 "[ . 1 . 2]"
1 45 CYS 2.887 0.294 18 0 "[ . 1 . 2]"
1 46 TYR 5.010 0.294 18 0 "[ . 1 . 2]"
1 47 GLY 2.012 0.080 15 0 "[ . 1 . 2]"
1 48 LEU 0.458 0.063 6 0 "[ . 1 . 2]"
1 49 PRO 0.018 0.018 12 0 "[ . 1 . 2]"
1 50 ASP 10.479 0.235 1 0 "[ . 1 . 2]"
1 51 ASN 14.463 0.268 1 0 "[ . 1 . 2]"
1 52 SER 0.656 0.090 14 0 "[ . 1 . 2]"
1 53 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LYS 1.643 0.124 6 0 "[ . 1 . 2]"
1 56 THR 14.103 0.825 19 17 "[* **** *******.**-+*]"
1 57 SER 18.582 0.825 19 17 "[* **** *******.**-+*]"
1 58 GLY 0.488 0.228 16 0 "[ . 1 . 2]"
1 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 CYS 0.227 0.074 18 0 "[ . 1 . 2]"
1 61 ASN 2.169 0.301 7 0 "[ . 1 . 2]"
1 62 PRO 0.431 0.219 14 0 "[ . 1 . 2]"
1 63 ALA 0.431 0.219 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 LYS HA 1 2 LYS H 2.500 . 2.700 2.481 2.236 2.727 0.027 13 0 "[ . 1 . 2]" 1
2 1 1 LYS QB 1 2 LYS H 2.500 . 3.700 2.446 1.919 3.079 . 0 0 "[ . 1 . 2]" 1
3 1 1 LYS QB 1 47 GLY H 4.000 . 6.000 4.073 3.216 4.890 . 0 0 "[ . 1 . 2]" 1
4 1 1 LYS HA 1 48 LEU H 4.000 . 5.000 4.863 4.557 5.036 0.036 1 0 "[ . 1 . 2]" 1
5 1 1 LYS HA 1 50 ASP H 3.000 . 3.300 3.316 3.227 3.388 0.088 1 0 "[ . 1 . 2]" 1
6 1 1 LYS QB 1 50 ASP H 4.000 . 6.000 4.927 4.127 5.331 . 0 0 "[ . 1 . 2]" 1
7 1 1 LYS HA 1 49 PRO HA 4.000 . 5.000 3.222 2.833 3.885 . 0 0 "[ . 1 . 2]" 1
8 1 2 LYS H 1 2 LYS QB 3.000 . 3.900 3.249 2.788 3.440 . 0 0 "[ . 1 . 2]" 1
9 1 2 LYS HA 1 2 LYS QG 3.000 . 3.900 3.224 2.426 3.428 . 0 0 "[ . 1 . 2]" 1
10 1 2 LYS HA 1 2 LYS QD 3.000 . 4.300 3.703 3.382 4.016 . 0 0 "[ . 1 . 2]" 1
11 1 2 LYS QB 1 2 LYS QD 3.000 . 5.300 2.147 1.949 2.408 . 0 0 "[ . 1 . 2]" 1
12 1 2 LYS HA 1 3 ASP H 2.500 . 2.700 2.351 2.201 2.558 . 0 0 "[ . 1 . 2]" 1
13 1 2 LYS QB 1 3 ASP H 3.000 . 4.300 2.784 2.228 3.671 . 0 0 "[ . 1 . 2]" 1
14 1 2 LYS QG 1 3 ASP H 4.000 . 6.000 3.729 1.894 4.611 . 0 0 "[ . 1 . 2]" 1
15 1 2 LYS QD 1 3 ASP H 4.000 . 6.000 3.658 2.970 5.098 . 0 0 "[ . 1 . 2]" 1
16 1 2 LYS H 1 3 ASP H 4.000 . 5.000 4.323 4.142 4.395 . 0 0 "[ . 1 . 2]" 1
17 1 2 LYS H 1 47 GLY HA3 4.000 . 5.000 4.803 4.359 5.056 0.056 3 0 "[ . 1 . 2]" 1
18 1 2 LYS H 1 47 GLY HA2 4.000 . 5.000 3.389 2.956 3.647 . 0 0 "[ . 1 . 2]" 1
19 1 2 LYS H 1 48 LEU HA 4.000 . 5.000 4.551 4.292 4.816 . 0 0 "[ . 1 . 2]" 1
20 1 2 LYS H 1 48 LEU QD 4.000 . 8.500 4.620 4.267 4.873 . 0 0 "[ . 1 . 2]" 1
21 1 2 LYS H 1 48 LEU HG 4.000 . 5.000 4.837 4.553 5.014 0.014 5 0 "[ . 1 . 2]" 1
22 1 2 LYS H 1 48 LEU H 3.000 . 3.300 2.943 2.553 3.242 . 0 0 "[ . 1 . 2]" 1
23 1 2 LYS HE3 1 48 LEU QD 4.000 . 7.500 4.378 2.485 5.333 . 0 0 "[ . 1 . 2]" 1
24 1 2 LYS HE2 1 48 LEU QD 4.000 . 7.500 4.042 2.553 5.164 . 0 0 "[ . 1 . 2]" 1
25 1 2 LYS H 1 49 PRO HA 4.000 . 5.000 4.771 4.579 5.018 0.018 12 0 "[ . 1 . 2]" 1
26 1 2 LYS QG 1 50 ASP HA 4.000 . 6.000 3.270 2.288 5.056 . 0 0 "[ . 1 . 2]" 1
27 1 2 LYS QD 1 50 ASP HA 4.000 . 6.000 4.092 2.209 5.135 . 0 0 "[ . 1 . 2]" 1
28 1 2 LYS QE 1 50 ASP HA 4.000 . 6.000 3.816 2.440 5.121 . 0 0 "[ . 1 . 2]" 1
29 1 2 LYS QZ 1 50 ASP HA 4.000 . 5.800 3.438 2.221 4.737 . 0 0 "[ . 1 . 2]" 1
30 1 2 LYS QE 1 52 SER H 4.000 . 6.000 4.162 2.415 5.037 . 0 0 "[ . 1 . 2]" 1
31 1 2 LYS QD 1 54 THR MG 4.000 . 7.100 3.494 2.815 4.326 . 0 0 "[ . 1 . 2]" 1
32 1 2 LYS QE 1 54 THR MG 3.000 . 5.200 2.462 1.749 3.528 . 0 0 "[ . 1 . 2]" 1
33 1 3 ASP H 1 3 ASP HA 3.000 . 3.300 2.958 2.932 2.981 . 0 0 "[ . 1 . 2]" 1
34 1 3 ASP H 1 3 ASP HB3 4.000 . 5.000 3.617 3.581 3.676 . 0 0 "[ . 1 . 2]" 1
35 1 3 ASP H 1 3 ASP HB2 2.500 . 2.700 2.832 2.757 2.920 0.220 7 0 "[ . 1 . 2]" 1
36 1 3 ASP HA 1 3 ASP HB3 3.000 . 3.300 2.319 2.296 2.341 . 0 0 "[ . 1 . 2]" 1
37 1 3 ASP HA 1 3 ASP HB2 3.000 . 3.300 2.986 2.958 3.007 . 0 0 "[ . 1 . 2]" 1
38 1 3 ASP HA 1 4 GLY H 2.500 . 2.700 2.455 2.321 2.577 . 0 0 "[ . 1 . 2]" 1
39 1 3 ASP HB3 1 4 GLY H 3.000 . 3.300 2.937 2.598 3.259 . 0 0 "[ . 1 . 2]" 1
40 1 3 ASP HB2 1 4 GLY H 4.000 . 5.000 3.362 3.025 3.777 . 0 0 "[ . 1 . 2]" 1
41 1 3 ASP H 1 4 GLY H 4.000 . 5.000 4.618 4.592 4.653 . 0 0 "[ . 1 . 2]" 1
42 1 3 ASP HA 1 44 TYR QE 4.000 . 7.000 4.244 3.626 4.993 . 0 0 "[ . 1 . 2]" 1
43 1 3 ASP HB2 1 44 TYR QE 3.000 . 5.300 2.592 2.110 3.075 . 0 0 "[ . 1 . 2]" 1
44 1 3 ASP HB2 1 44 TYR QD 3.000 . 5.300 4.656 4.363 4.892 . 0 0 "[ . 1 . 2]" 1
45 1 3 ASP HB3 1 44 TYR QD 4.000 . 7.000 3.720 3.273 4.220 . 0 0 "[ . 1 . 2]" 1
46 1 3 ASP HB3 1 44 TYR QE 3.000 . 5.300 2.320 1.840 3.074 . 0 0 "[ . 1 . 2]" 1
47 1 3 ASP HA 1 46 TYR HA 2.500 . 2.700 2.153 1.997 2.242 . 0 0 "[ . 1 . 2]" 1
48 1 3 ASP HB2 1 46 TYR HA 4.000 . 5.300 3.880 3.375 4.183 . 0 0 "[ . 1 . 2]" 1
49 1 3 ASP HB3 1 46 TYR HA 4.000 . 5.000 2.430 1.895 2.868 . 0 0 "[ . 1 . 2]" 1
50 1 3 ASP HA 1 46 TYR HB3 4.000 . 5.000 4.606 4.357 4.774 . 0 0 "[ . 1 . 2]" 1
51 1 3 ASP HA 1 46 TYR HB2 4.000 . 5.000 5.117 5.008 5.172 0.172 1 0 "[ . 1 . 2]" 1
52 1 3 ASP HA 1 46 TYR QD 4.000 . 7.000 4.113 3.682 4.405 . 0 0 "[ . 1 . 2]" 1
53 1 3 ASP HB3 1 46 TYR QD 4.000 . 7.000 2.684 2.385 2.974 . 0 0 "[ . 1 . 2]" 1
54 1 3 ASP HB2 1 46 TYR QD 4.000 . 7.000 3.597 3.238 3.861 . 0 0 "[ . 1 . 2]" 1
55 1 3 ASP HA 1 47 GLY H 3.000 . 3.300 2.649 2.267 3.028 . 0 0 "[ . 1 . 2]" 1
56 1 3 ASP HA 1 48 LEU QD 4.000 . 7.500 3.480 2.870 4.015 . 0 0 "[ . 1 . 2]" 1
57 1 3 ASP HA 1 48 LEU H 4.000 . 5.000 3.370 2.978 3.677 . 0 0 "[ . 1 . 2]" 1
58 1 4 GLY H 1 4 GLY QA 2.500 . 3.700 2.522 2.496 2.543 . 0 0 "[ . 1 . 2]" 1
59 1 4 GLY HA3 1 5 TYR H 2.500 . 2.700 2.471 2.315 2.691 . 0 0 "[ . 1 . 2]" 1
60 1 4 GLY HA2 1 5 TYR H 2.500 . 2.700 2.679 2.496 2.796 0.096 10 0 "[ . 1 . 2]" 1
61 1 4 GLY QA 1 5 TYR QD 4.000 . 8.000 3.785 2.991 4.551 . 0 0 "[ . 1 . 2]" 1
62 1 4 GLY H 1 5 TYR H 4.000 . 5.000 4.418 4.335 4.464 . 0 0 "[ . 1 . 2]" 1
63 1 4 GLY QA 1 44 TYR QD 4.000 . 8.000 3.854 3.281 4.471 . 0 0 "[ . 1 . 2]" 1
64 1 4 GLY QA 1 44 TYR QE 4.000 . 8.000 2.496 1.862 3.290 . 0 0 "[ . 1 . 2]" 1
65 1 4 GLY H 1 44 TYR QD 4.000 . 7.000 3.910 3.376 4.273 . 0 0 "[ . 1 . 2]" 1
66 1 4 GLY H 1 44 TYR QE 4.000 . 7.000 3.374 2.538 4.034 . 0 0 "[ . 1 . 2]" 1
67 1 4 GLY H 1 45 CYS H 4.000 . 5.000 3.008 2.534 3.264 . 0 0 "[ . 1 . 2]" 1
68 1 4 GLY H 1 46 TYR HA 4.000 . 5.000 3.887 3.696 4.081 . 0 0 "[ . 1 . 2]" 1
69 1 4 GLY H 1 47 GLY H 4.000 . 5.000 4.848 4.652 5.039 0.039 18 0 "[ . 1 . 2]" 1
70 1 4 GLY H 1 48 LEU QB 4.000 . 6.000 4.870 4.491 5.245 . 0 0 "[ . 1 . 2]" 1
71 1 4 GLY H 1 48 LEU QD 4.000 . 7.500 3.038 2.391 3.632 . 0 0 "[ . 1 . 2]" 1
72 1 4 GLY HA3 1 54 THR MG 4.000 . 6.100 3.266 2.878 3.624 . 0 0 "[ . 1 . 2]" 1
73 1 4 GLY HA2 1 54 THR MG 4.000 . 6.100 4.708 4.387 5.007 . 0 0 "[ . 1 . 2]" 1
74 1 5 TYR H 1 5 TYR QB 3.000 . 3.900 2.433 2.277 2.670 . 0 0 "[ . 1 . 2]" 1
75 1 5 TYR H 1 5 TYR QD 3.000 . 5.300 2.770 1.881 3.828 . 0 0 "[ . 1 . 2]" 1
76 1 5 TYR HA 1 5 TYR QD 3.000 . 4.300 2.583 1.755 3.193 . 0 0 "[ . 1 . 2]" 1
77 1 5 TYR HA 1 5 TYR QE 4.000 . 5.600 4.484 4.053 4.862 . 0 0 "[ . 1 . 2]" 1
78 1 5 TYR QB 1 5 TYR QD 2.500 . 5.800 2.160 2.143 2.246 . 0 0 "[ . 1 . 2]" 1
79 1 5 TYR QB 1 6 PRO QD 4.000 . 7.000 3.327 3.101 3.624 . 0 0 "[ . 1 . 2]" 1
80 1 5 TYR HA 1 6 PRO QG 4.000 . 6.000 3.818 3.790 3.838 . 0 0 "[ . 1 . 2]" 1
81 1 5 TYR HA 1 6 PRO QD 2.500 . 4.700 1.878 1.840 1.907 . 0 0 "[ . 1 . 2]" 1
82 1 5 TYR QD 1 6 PRO HD3 4.000 . 7.000 4.409 3.600 4.858 . 0 0 "[ . 1 . 2]" 1
83 1 5 TYR QD 1 6 PRO HD2 4.000 . 7.000 3.597 2.764 4.349 . 0 0 "[ . 1 . 2]" 1
84 1 5 TYR QD 1 7 VAL QG 4.000 . 8.900 4.652 4.242 5.083 . 0 0 "[ . 1 . 2]" 1
85 1 5 TYR QD 1 37 TYR QD 4.000 . 9.000 5.567 4.866 6.461 . 0 0 "[ . 1 . 2]" 1
86 1 5 TYR QD 1 37 TYR HB3 4.000 . 8.000 4.832 4.441 5.433 . 0 0 "[ . 1 . 2]" 1
87 1 5 TYR QD 1 37 TYR HB2 4.000 . 8.000 5.476 4.947 6.452 . 0 0 "[ . 1 . 2]" 1
88 1 5 TYR QE 1 37 TYR QB 4.000 . 8.000 2.491 2.104 3.107 . 0 0 "[ . 1 . 2]" 1
89 1 5 TYR QD 1 42 SER HA 4.000 . 7.000 5.087 4.545 6.073 . 0 0 "[ . 1 . 2]" 1
90 1 5 TYR QE 1 42 SER HA 4.000 . 7.000 5.124 4.647 5.404 . 0 0 "[ . 1 . 2]" 1
91 1 5 TYR QD 1 42 SER HB3 4.000 . 7.000 3.538 2.499 4.846 . 0 0 "[ . 1 . 2]" 1
92 1 5 TYR QD 1 42 SER HB2 3.000 . 5.300 2.928 2.338 3.734 . 0 0 "[ . 1 . 2]" 1
93 1 5 TYR QE 1 42 SER HB3 4.000 . 7.000 4.576 3.439 5.435 . 0 0 "[ . 1 . 2]" 1
94 1 5 TYR QE 1 42 SER HB2 3.000 . 5.300 3.647 2.440 4.061 . 0 0 "[ . 1 . 2]" 1
95 1 5 TYR QE 1 43 CYS QB 4.000 . 8.000 5.301 4.734 5.797 . 0 0 "[ . 1 . 2]" 1
96 1 5 TYR HA 1 44 TYR HA 3.000 . 3.300 3.082 2.614 3.311 0.011 18 0 "[ . 1 . 2]" 1
97 1 5 TYR HA 1 44 TYR QD 4.000 . 5.000 3.897 3.487 4.398 . 0 0 "[ . 1 . 2]" 1
98 1 5 TYR HA 1 44 TYR QE 4.000 . 5.000 4.805 4.474 4.987 . 0 0 "[ . 1 . 2]" 1
99 1 5 TYR QD 1 44 TYR H 4.000 . 7.000 4.849 3.848 5.249 . 0 0 "[ . 1 . 2]" 1
100 1 5 TYR QE 1 44 TYR H 4.000 . 7.000 4.813 3.092 5.545 . 0 0 "[ . 1 . 2]" 1
101 1 5 TYR QD 1 44 TYR HA 4.000 . 7.000 3.342 2.530 3.731 . 0 0 "[ . 1 . 2]" 1
102 1 5 TYR QE 1 44 TYR HA 4.000 . 7.000 3.896 3.017 4.467 . 0 0 "[ . 1 . 2]" 1
103 1 5 TYR QD 1 44 TYR HB3 4.000 . 7.000 5.463 5.015 5.777 . 0 0 "[ . 1 . 2]" 1
104 1 5 TYR QD 1 44 TYR HB2 4.000 . 7.000 4.103 3.559 4.500 . 0 0 "[ . 1 . 2]" 1
105 1 5 TYR QE 1 44 TYR HB3 4.000 . 7.000 4.673 3.916 5.296 . 0 0 "[ . 1 . 2]" 1
106 1 5 TYR QE 1 44 TYR HB2 4.000 . 7.000 2.998 2.186 3.665 . 0 0 "[ . 1 . 2]" 1
107 1 5 TYR QD 1 44 TYR QD 4.000 . 9.000 3.189 2.948 3.570 . 0 0 "[ . 1 . 2]" 1
108 1 5 TYR QD 1 44 TYR QE 4.000 . 9.000 3.530 2.800 4.260 . 0 0 "[ . 1 . 2]" 1
109 1 5 TYR QE 1 44 TYR QD 4.000 . 9.000 2.604 2.332 2.732 . 0 0 "[ . 1 . 2]" 1
110 1 5 TYR QE 1 44 TYR QE 4.000 . 9.000 3.003 2.329 4.320 . 0 0 "[ . 1 . 2]" 1
111 1 5 TYR HA 1 45 CYS H 4.000 . 5.000 3.703 3.303 3.998 . 0 0 "[ . 1 . 2]" 1
112 1 5 TYR HA 1 48 LEU QD 4.000 . 7.500 4.062 3.672 4.556 . 0 0 "[ . 1 . 2]" 1
113 1 5 TYR H 1 54 THR HB 4.000 . 5.000 2.904 2.317 3.397 . 0 0 "[ . 1 . 2]" 1
114 1 5 TYR H 1 54 THR MG 4.000 . 6.100 3.608 2.984 4.269 . 0 0 "[ . 1 . 2]" 1
115 1 6 PRO HA 1 7 VAL H 4.000 . 5.000 2.232 2.198 2.310 . 0 0 "[ . 1 . 2]" 1
116 1 6 PRO HB3 1 7 VAL H 4.000 . 5.000 4.023 3.650 4.328 . 0 0 "[ . 1 . 2]" 1
117 1 6 PRO HB2 1 7 VAL H 4.000 . 5.000 3.898 3.544 4.135 . 0 0 "[ . 1 . 2]" 1
118 1 6 PRO HB3 1 14 TYR QD 4.000 . 7.000 4.019 3.459 4.698 . 0 0 "[ . 1 . 2]" 1
119 1 6 PRO HB2 1 14 TYR QD 4.000 . 7.000 2.371 1.817 3.162 . 0 0 "[ . 1 . 2]" 1
120 1 6 PRO HB3 1 14 TYR QE 4.000 . 7.000 3.476 2.984 4.280 . 0 0 "[ . 1 . 2]" 1
121 1 6 PRO HB2 1 14 TYR QE 4.000 . 7.000 2.187 1.844 2.973 . 0 0 "[ . 1 . 2]" 1
122 1 6 PRO HG3 1 14 TYR QD 4.000 . 7.000 4.218 3.704 4.763 . 0 0 "[ . 1 . 2]" 1
123 1 6 PRO HG2 1 14 TYR QD 4.000 . 7.000 2.703 2.202 3.256 . 0 0 "[ . 1 . 2]" 1
124 1 6 PRO HG3 1 14 TYR QE 4.000 . 7.000 4.835 4.375 5.465 . 0 0 "[ . 1 . 2]" 1
125 1 6 PRO HG2 1 14 TYR QE 4.000 . 7.000 4.032 3.624 4.431 . 0 0 "[ . 1 . 2]" 1
126 1 6 PRO QD 1 14 TYR QD 4.000 . 8.000 3.876 3.332 4.621 . 0 0 "[ . 1 . 2]" 1
127 1 6 PRO QD 1 14 TYR QE 4.000 . 8.000 5.126 4.812 5.623 . 0 0 "[ . 1 . 2]" 1
128 1 6 PRO QD 1 44 TYR HA 4.000 . 6.000 3.105 2.690 3.641 . 0 0 "[ . 1 . 2]" 1
129 1 6 PRO HD3 1 45 CYS H 4.000 . 5.000 2.745 2.253 3.616 . 0 0 "[ . 1 . 2]" 1
130 1 6 PRO HD2 1 45 CYS H 4.000 . 5.000 3.689 2.905 4.608 . 0 0 "[ . 1 . 2]" 1
131 1 6 PRO HA 1 48 LEU QD 4.000 . 7.900 3.008 2.603 3.590 . 0 0 "[ . 1 . 2]" 1
132 1 6 PRO QD 1 48 LEU HG 4.000 . 6.000 4.720 4.150 5.073 . 0 0 "[ . 1 . 2]" 1
133 1 6 PRO QD 1 48 LEU QD 4.000 . 7.500 2.452 1.919 2.921 . 0 0 "[ . 1 . 2]" 1
134 1 6 PRO HA 1 54 THR HA 4.000 . 5.000 2.916 2.491 3.312 . 0 0 "[ . 1 . 2]" 1
135 1 6 PRO HA 1 54 THR MG 4.000 . 6.100 2.423 1.912 2.833 . 0 0 "[ . 1 . 2]" 1
136 1 7 VAL H 1 7 VAL HB 4.000 . 5.000 3.762 3.696 3.837 . 0 0 "[ . 1 . 2]" 1
137 1 7 VAL H 1 7 VAL MG1 4.000 . 6.100 2.532 2.229 2.839 . 0 0 "[ . 1 . 2]" 1
138 1 7 VAL H 1 7 VAL MG2 4.000 . 6.100 2.005 1.835 2.242 . 0 0 "[ . 1 . 2]" 1
139 1 7 VAL HA 1 7 VAL HB 3.000 . 3.300 2.437 2.363 2.523 . 0 0 "[ . 1 . 2]" 1
140 1 7 VAL HA 1 8 ASP H 3.000 . 3.500 2.260 2.202 2.336 . 0 0 "[ . 1 . 2]" 1
141 1 7 VAL HB 1 8 ASP H 4.000 . 5.000 3.061 2.814 3.439 . 0 0 "[ . 1 . 2]" 1
142 1 7 VAL MG1 1 8 ASP H 4.000 . 6.100 4.008 3.745 4.221 . 0 0 "[ . 1 . 2]" 1
143 1 7 VAL MG2 1 8 ASP H 4.000 . 6.100 3.743 3.456 3.884 . 0 0 "[ . 1 . 2]" 1
144 1 7 VAL H 1 8 ASP H 4.000 . 5.000 4.519 4.432 4.593 . 0 0 "[ . 1 . 2]" 1
145 1 7 VAL HA 1 11 ASN H 4.000 . 5.000 5.076 4.974 5.154 0.154 1 0 "[ . 1 . 2]" 1
146 1 7 VAL HB 1 11 ASN H 4.000 . 5.000 3.352 3.091 3.639 . 0 0 "[ . 1 . 2]" 1
147 1 7 VAL MG2 1 11 ASN H 3.000 . 4.200 3.110 2.717 3.387 . 0 0 "[ . 1 . 2]" 1
148 1 7 VAL MG1 1 11 ASN H 4.000 . 6.100 4.782 4.577 5.034 . 0 0 "[ . 1 . 2]" 1
149 1 7 VAL HB 1 11 ASN HA 2.500 . 2.700 2.135 1.797 2.473 0.003 1 0 "[ . 1 . 2]" 1
150 1 7 VAL MG1 1 11 ASN HA 3.000 . 4.200 3.180 2.932 3.409 . 0 0 "[ . 1 . 2]" 1
151 1 7 VAL MG2 1 11 ASN HA 2.500 . 3.200 1.975 1.797 2.386 . 0 0 "[ . 1 . 2]" 1
152 1 7 VAL MG2 1 11 ASN HB2 4.000 . 6.100 4.112 3.763 4.624 . 0 0 "[ . 1 . 2]" 1
153 1 7 VAL MG2 1 11 ASN HB3 4.000 . 6.100 4.353 4.123 4.761 . 0 0 "[ . 1 . 2]" 1
154 1 7 VAL HA 1 12 CYS H 4.000 . 5.000 3.567 3.003 3.971 . 0 0 "[ . 1 . 2]" 1
155 1 7 VAL HB 1 12 CYS H 3.000 . 3.300 2.298 1.927 2.570 . 0 0 "[ . 1 . 2]" 1
156 1 7 VAL MG1 1 12 CYS H 4.000 . 6.100 3.776 3.242 4.119 . 0 0 "[ . 1 . 2]" 1
157 1 7 VAL MG2 1 12 CYS H 4.000 . 6.100 3.544 3.330 3.702 . 0 0 "[ . 1 . 2]" 1
158 1 7 VAL HA 1 13 LYS H 4.000 . 5.000 3.952 3.537 4.238 . 0 0 "[ . 1 . 2]" 1
159 1 7 VAL MG1 1 13 LYS H 4.000 . 6.100 2.656 2.383 3.366 . 0 0 "[ . 1 . 2]" 1
160 1 7 VAL HA 1 13 LYS HA 3.000 . 3.300 2.222 1.848 2.601 . 0 0 "[ . 1 . 2]" 1
161 1 7 VAL MG1 1 13 LYS HA 2.500 . 3.400 2.168 1.863 2.482 . 0 0 "[ . 1 . 2]" 1
162 1 7 VAL MG2 1 13 LYS HA 4.000 . 6.100 4.461 4.278 4.632 . 0 0 "[ . 1 . 2]" 1
163 1 7 VAL HA 1 14 TYR QD 4.000 . 7.000 4.194 3.627 4.595 . 0 0 "[ . 1 . 2]" 1
164 1 7 VAL HA 1 14 TYR QE 3.000 . 5.300 3.938 3.186 4.584 . 0 0 "[ . 1 . 2]" 1
165 1 7 VAL HA 1 14 TYR H 4.000 . 5.000 3.273 2.959 3.620 . 0 0 "[ . 1 . 2]" 1
166 1 7 VAL HB 1 14 TYR QD 4.000 . 7.000 6.278 5.930 6.530 . 0 0 "[ . 1 . 2]" 1
167 1 7 VAL MG1 1 14 TYR QE 4.000 . 8.100 5.223 4.644 5.789 . 0 0 "[ . 1 . 2]" 1
168 1 7 VAL MG2 1 14 TYR QE 4.000 . 8.100 5.178 4.731 5.759 . 0 0 "[ . 1 . 2]" 1
169 1 7 VAL MG1 1 14 TYR H 4.000 . 6.100 4.038 3.737 4.291 . 0 0 "[ . 1 . 2]" 1
170 1 7 VAL MG1 1 54 THR HA 4.000 . 6.100 2.478 2.064 2.848 . 0 0 "[ . 1 . 2]" 1
171 1 7 VAL H 1 54 THR HA 4.000 . 5.000 2.059 1.832 2.282 . 0 0 "[ . 1 . 2]" 1
172 1 7 VAL H 1 54 THR MG 3.000 . 4.200 3.244 3.091 3.443 . 0 0 "[ . 1 . 2]" 1
173 1 7 VAL HA 1 55 LYS H 4.000 . 5.000 4.945 4.582 5.099 0.099 20 0 "[ . 1 . 2]" 1
174 1 7 VAL MG1 1 55 LYS HA 2.500 . 3.200 2.009 1.790 2.533 . 0 0 "[ . 1 . 2]" 1
175 1 7 VAL MG2 1 55 LYS HA 3.000 . 4.200 2.956 2.222 3.345 . 0 0 "[ . 1 . 2]" 1
176 1 7 VAL MG1 1 55 LYS H 3.000 . 4.200 1.836 1.716 2.070 . 0 0 "[ . 1 . 2]" 1
177 1 7 VAL MG2 1 55 LYS H 3.000 . 4.200 3.053 2.794 3.381 . 0 0 "[ . 1 . 2]" 1
178 1 7 VAL MG1 1 56 THR H 4.000 . 6.100 3.887 3.623 4.297 . 0 0 "[ . 1 . 2]" 1
179 1 7 VAL MG2 1 56 THR H 4.000 . 6.100 3.979 2.700 4.765 . 0 0 "[ . 1 . 2]" 1
180 1 8 ASP H 1 8 ASP HB3 4.000 . 5.000 2.577 2.196 2.869 . 0 0 "[ . 1 . 2]" 1
181 1 8 ASP H 1 8 ASP HB2 4.000 . 5.000 3.618 3.518 3.661 . 0 0 "[ . 1 . 2]" 1
182 1 8 ASP HA 1 8 ASP HB3 2.500 . 2.700 2.484 2.332 2.680 . 0 0 "[ . 1 . 2]" 1
183 1 8 ASP HA 1 8 ASP HB2 2.500 . 2.700 2.460 2.293 2.636 . 0 0 "[ . 1 . 2]" 1
184 1 8 ASP HA 1 9 SER H 3.000 . 3.300 2.801 2.695 2.881 . 0 0 "[ . 1 . 2]" 1
185 1 8 ASP HB3 1 9 SER H 4.000 . 5.000 3.499 3.297 3.666 . 0 0 "[ . 1 . 2]" 1
186 1 8 ASP HB2 1 9 SER H 4.000 . 5.000 1.983 1.806 2.354 . 0 0 "[ . 1 . 2]" 1
187 1 8 ASP H 1 9 SER H 4.000 . 5.000 4.510 4.396 4.622 . 0 0 "[ . 1 . 2]" 1
188 1 8 ASP HA 1 14 TYR QE 4.000 . 7.000 3.606 2.881 4.252 . 0 0 "[ . 1 . 2]" 1
189 1 8 ASP H 1 14 TYR QE 4.000 . 7.000 3.595 2.653 4.207 . 0 0 "[ . 1 . 2]" 1
190 1 8 ASP HB3 1 14 TYR QD 4.000 . 7.000 4.376 3.176 5.031 . 0 0 "[ . 1 . 2]" 1
191 1 8 ASP HB2 1 14 TYR QD 4.000 . 7.000 5.877 4.704 6.469 . 0 0 "[ . 1 . 2]" 1
192 1 8 ASP HB3 1 14 TYR QE 4.000 . 7.000 2.561 1.870 3.454 . 0 0 "[ . 1 . 2]" 1
193 1 8 ASP HB2 1 14 TYR QE 4.000 . 7.000 3.914 2.833 4.725 . 0 0 "[ . 1 . 2]" 1
194 1 9 SER H 1 9 SER HB3 4.000 . 5.000 2.746 2.160 3.401 . 0 0 "[ . 1 . 2]" 1
195 1 9 SER H 1 9 SER HB2 4.000 . 5.000 3.502 3.262 3.621 . 0 0 "[ . 1 . 2]" 1
196 1 9 SER HA 1 9 SER HB3 3.000 . 3.300 2.449 2.243 2.754 . 0 0 "[ . 1 . 2]" 1
197 1 9 SER HA 1 9 SER HB2 3.000 . 3.300 2.546 2.269 2.861 . 0 0 "[ . 1 . 2]" 1
198 1 9 SER HA 1 10 GLY H 4.000 . 5.000 3.359 3.084 3.545 . 0 0 "[ . 1 . 2]" 1
199 1 10 GLY HA3 1 11 ASN H 4.000 . 5.000 3.321 3.182 3.451 . 0 0 "[ . 1 . 2]" 1
200 1 10 GLY HA2 1 11 ASN H 4.000 . 5.000 3.295 3.187 3.407 . 0 0 "[ . 1 . 2]" 1
201 1 10 GLY H 1 11 ASN H 3.000 . 3.300 2.334 1.901 2.700 . 0 0 "[ . 1 . 2]" 1
202 1 10 GLY QA 1 61 ASN H 4.000 . 6.000 4.321 3.202 5.388 . 0 0 "[ . 1 . 2]" 1
203 1 11 ASN H 1 11 ASN HB3 4.000 . 5.000 3.984 3.820 4.094 . 0 0 "[ . 1 . 2]" 1
204 1 11 ASN H 1 11 ASN HB2 4.000 . 5.000 3.235 3.154 3.344 . 0 0 "[ . 1 . 2]" 1
205 1 11 ASN HA 1 11 ASN HD21 4.000 . 5.000 3.825 1.836 4.325 . 0 0 "[ . 1 . 2]" 1
206 1 11 ASN HB3 1 11 ASN HD21 3.000 . 3.300 2.699 2.231 3.552 0.252 18 0 "[ . 1 . 2]" 1
207 1 11 ASN HB2 1 11 ASN HD21 3.000 . 3.300 2.862 2.240 3.525 0.225 17 0 "[ . 1 . 2]" 1
208 1 11 ASN HA 1 12 CYS H 2.500 . 2.700 2.806 2.702 2.977 0.277 14 0 "[ . 1 . 2]" 1
209 1 11 ASN H 1 12 CYS H 4.000 . 5.000 2.451 2.301 2.640 . 0 0 "[ . 1 . 2]" 1
210 1 11 ASN HD21 1 56 THR H 4.000 . 5.000 3.841 2.532 4.635 . 0 0 "[ . 1 . 2]" 1
211 1 11 ASN HD22 1 56 THR H 3.000 . 3.300 2.513 1.976 3.334 0.034 14 0 "[ . 1 . 2]" 1
212 1 11 ASN HD22 1 56 THR MG 4.000 . 6.100 4.304 3.468 5.048 . 0 0 "[ . 1 . 2]" 1
213 1 11 ASN HD22 1 58 GLY H 4.000 . 5.000 3.975 2.285 5.021 0.021 2 0 "[ . 1 . 2]" 1
214 1 11 ASN HB3 1 60 CYS HA 3.000 . 3.500 2.800 1.860 3.510 0.010 1 0 "[ . 1 . 2]" 1
215 1 11 ASN HB2 1 60 CYS HA 4.000 . 5.000 4.000 2.940 4.904 . 0 0 "[ . 1 . 2]" 1
216 1 11 ASN HB3 1 61 ASN H 4.000 . 5.000 3.904 3.140 5.016 0.016 14 0 "[ . 1 . 2]" 1
217 1 11 ASN HB2 1 61 ASN H 4.000 . 5.000 4.500 3.279 5.143 0.143 14 0 "[ . 1 . 2]" 1
218 1 12 CYS H 1 12 CYS HB3 3.000 . 3.500 3.572 3.410 3.746 0.246 14 0 "[ . 1 . 2]" 1
219 1 12 CYS H 1 12 CYS HB2 3.000 . 3.500 2.462 2.310 2.769 . 0 0 "[ . 1 . 2]" 1
220 1 12 CYS HA 1 12 CYS HB3 2.500 . 2.700 2.613 2.339 2.792 0.092 9 0 "[ . 1 . 2]" 1
221 1 12 CYS HA 1 12 CYS HB2 3.000 . 4.000 2.981 2.903 3.035 . 0 0 "[ . 1 . 2]" 1
222 1 12 CYS HA 1 13 LYS H 3.000 . 3.300 2.214 2.171 2.316 . 0 0 "[ . 1 . 2]" 1
223 1 12 CYS HB2 1 13 LYS H 4.000 . 5.000 4.480 3.928 4.637 . 0 0 "[ . 1 . 2]" 1
224 1 12 CYS HB3 1 13 LYS H 4.000 . 5.000 3.799 3.257 4.124 . 0 0 "[ . 1 . 2]" 1
225 1 12 CYS CB 1 60 CYS SG 3.000 2.900 3.100 3.029 3.022 3.043 . 0 0 "[ . 1 . 2]" 1
226 1 12 CYS SG 1 60 CYS SG 2.000 . 2.100 2.020 2.018 2.024 . 0 0 "[ . 1 . 2]" 1
227 1 12 CYS SG 1 60 CYS CB 3.000 2.900 3.100 3.028 3.018 3.053 . 0 0 "[ . 1 . 2]" 1
228 1 12 CYS HA 1 60 CYS HB3 3.000 . 4.000 3.851 3.512 4.074 0.074 18 0 "[ . 1 . 2]" 1
229 1 12 CYS HA 1 60 CYS HB2 3.000 . 4.000 2.425 1.828 3.244 . 0 0 "[ . 1 . 2]" 1
230 1 12 CYS QB 1 60 CYS QB 4.000 . 7.000 3.603 2.678 4.013 . 0 0 "[ . 1 . 2]" 1
231 1 13 LYS H 1 13 LYS HA 3.000 . 3.300 2.856 2.772 2.915 . 0 0 "[ . 1 . 2]" 1
232 1 13 LYS HA 1 14 TYR H 4.000 . 5.000 2.221 2.171 2.293 . 0 0 "[ . 1 . 2]" 1
233 1 13 LYS QB 1 14 TYR H 4.000 . 6.000 3.345 2.776 3.796 . 0 0 "[ . 1 . 2]" 1
234 1 13 LYS HA 1 14 TYR QD 4.000 . 7.000 4.142 3.370 4.711 . 0 0 "[ . 1 . 2]" 1
235 1 13 LYS HA 1 14 TYR QE 4.000 . 7.000 4.952 4.133 5.608 . 0 0 "[ . 1 . 2]" 1
236 1 14 TYR H 1 14 TYR HB3 4.000 . 5.000 3.629 3.590 3.678 . 0 0 "[ . 1 . 2]" 1
237 1 14 TYR H 1 14 TYR HB2 3.000 . 3.300 2.661 2.464 2.806 . 0 0 "[ . 1 . 2]" 1
238 1 14 TYR HA 1 14 TYR HB3 2.500 . 2.700 2.429 2.368 2.507 . 0 0 "[ . 1 . 2]" 1
239 1 14 TYR H 1 14 TYR QD 3.000 . 5.300 2.585 1.853 3.136 . 0 0 "[ . 1 . 2]" 1
240 1 14 TYR HA 1 14 TYR QD 3.000 . 4.300 2.477 1.896 3.042 . 0 0 "[ . 1 . 2]" 1
241 1 14 TYR HB3 1 14 TYR QD 3.000 . 5.300 2.567 2.369 2.778 . 0 0 "[ . 1 . 2]" 1
242 1 14 TYR HB2 1 14 TYR QD 3.000 . 5.300 2.355 2.306 2.458 . 0 0 "[ . 1 . 2]" 1
243 1 14 TYR HA 1 14 TYR QE 4.000 . 5.600 4.500 4.217 4.732 . 0 0 "[ . 1 . 2]" 1
244 1 14 TYR HA 1 15 GLU H 3.000 . 3.300 2.212 2.164 2.361 . 0 0 "[ . 1 . 2]" 1
245 1 14 TYR HB3 1 15 GLU H 4.000 . 5.000 3.468 2.735 3.926 . 0 0 "[ . 1 . 2]" 1
246 1 14 TYR H 1 15 GLU H 4.000 . 5.000 4.502 4.235 4.705 . 0 0 "[ . 1 . 2]" 1
247 1 14 TYR QD 1 15 GLU H 4.000 . 7.000 4.225 3.832 4.547 . 0 0 "[ . 1 . 2]" 1
248 1 14 TYR QE 1 15 GLU H 4.000 . 7.000 6.322 6.076 6.506 . 0 0 "[ . 1 . 2]" 1
249 1 14 TYR HB3 1 21 TYR QD 4.000 . 7.000 5.762 4.809 6.474 . 0 0 "[ . 1 . 2]" 1
250 1 14 TYR HB3 1 21 TYR QE 4.000 . 7.000 3.739 2.611 4.582 . 0 0 "[ . 1 . 2]" 1
251 1 14 TYR HB2 1 21 TYR QD 4.000 . 7.000 6.112 5.485 6.570 . 0 0 "[ . 1 . 2]" 1
252 1 14 TYR HB2 1 21 TYR QE 4.000 . 7.000 4.398 3.410 5.484 . 0 0 "[ . 1 . 2]" 1
253 1 14 TYR HA 1 25 LEU QD 4.000 . 7.500 4.115 3.662 4.551 . 0 0 "[ . 1 . 2]" 1
254 1 14 TYR HB3 1 25 LEU MD1 4.000 . 6.100 2.773 1.827 3.204 . 0 0 "[ . 1 . 2]" 1
255 1 14 TYR HB3 1 25 LEU MD2 4.000 . 6.100 2.627 1.892 3.499 . 0 0 "[ . 1 . 2]" 1
256 1 14 TYR HB2 1 25 LEU MD1 4.000 . 6.100 3.338 2.405 3.837 . 0 0 "[ . 1 . 2]" 1
257 1 14 TYR HB2 1 25 LEU MD2 4.000 . 6.100 2.245 1.842 2.716 . 0 0 "[ . 1 . 2]" 1
258 1 14 TYR QD 1 25 LEU MD1 3.000 . 6.200 3.079 1.842 3.815 . 0 0 "[ . 1 . 2]" 1
259 1 14 TYR QD 1 25 LEU MD2 3.000 . 6.200 2.632 1.917 3.453 . 0 0 "[ . 1 . 2]" 1
260 1 14 TYR QE 1 25 LEU MD1 3.000 . 6.200 3.852 3.278 4.584 . 0 0 "[ . 1 . 2]" 1
261 1 14 TYR QE 1 25 LEU MD2 3.000 . 6.200 4.118 3.505 4.678 . 0 0 "[ . 1 . 2]" 1
262 1 14 TYR QE 1 25 LEU HG 4.000 . 7.000 5.082 4.243 5.946 . 0 0 "[ . 1 . 2]" 1
263 1 15 GLU H 1 15 GLU QB 3.000 . 3.900 2.401 2.058 2.720 . 0 0 "[ . 1 . 2]" 1
264 1 15 GLU H 1 15 GLU QG 4.000 . 6.000 2.664 1.810 3.889 . 0 0 "[ . 1 . 2]" 1
265 1 15 GLU HA 1 15 GLU QB 2.500 . 3.300 2.355 2.179 2.526 . 0 0 "[ . 1 . 2]" 1
266 1 15 GLU HA 1 16 CYS H 3.000 . 3.300 2.571 2.286 2.778 . 0 0 "[ . 1 . 2]" 1
267 1 15 GLU QB 1 16 CYS H 4.000 . 6.000 2.372 1.847 3.374 . 0 0 "[ . 1 . 2]" 1
268 1 15 GLU QG 1 16 CYS H 4.000 . 6.000 3.369 1.764 4.257 . 0 0 "[ . 1 . 2]" 1
269 1 15 GLU QB 1 21 TYR QE 4.000 . 8.000 4.715 3.285 5.864 . 0 0 "[ . 1 . 2]" 1
270 1 15 GLU QB 1 25 LEU QD 4.000 . 8.500 5.643 5.526 5.777 . 0 0 "[ . 1 . 2]" 1
271 1 15 GLU HA 1 42 SER HA 2.500 . 2.700 2.275 1.884 2.621 . 0 0 "[ . 1 . 2]" 1
272 1 15 GLU HA 1 42 SER QB 4.000 . 6.000 2.889 1.829 3.982 . 0 0 "[ . 1 . 2]" 1
273 1 15 GLU QB 1 42 SER HA 3.000 . 4.300 3.777 3.549 3.971 . 0 0 "[ . 1 . 2]" 1
274 1 15 GLU HA 1 43 CYS H 4.000 . 5.000 3.015 2.477 3.678 . 0 0 "[ . 1 . 2]" 1
275 1 16 CYS H 1 16 CYS QB 3.000 . 3.900 3.078 2.685 3.359 . 0 0 "[ . 1 . 2]" 1
276 1 16 CYS HA 1 16 CYS QB 2.500 . 3.300 2.173 2.145 2.195 . 0 0 "[ . 1 . 2]" 1
277 1 16 CYS CB 1 36 CYS SG 3.000 2.900 3.100 3.026 2.997 3.040 . 0 0 "[ . 1 . 2]" 1
278 1 16 CYS SG 1 36 CYS SG 2.000 . 2.100 2.017 2.003 2.022 . 0 0 "[ . 1 . 2]" 1
279 1 16 CYS SG 1 36 CYS CB 3.000 2.900 3.100 3.024 2.940 3.066 . 0 0 "[ . 1 . 2]" 1
280 1 16 CYS HA 1 17 LEU H 4.000 . 5.000 2.431 2.170 2.659 . 0 0 "[ . 1 . 2]" 1
281 1 16 CYS QB 1 17 LEU H 4.000 . 6.000 2.674 1.836 3.254 . 0 0 "[ . 1 . 2]" 1
282 1 16 CYS H 1 17 LEU H 4.000 . 5.000 4.364 4.145 4.442 . 0 0 "[ . 1 . 2]" 1
283 1 16 CYS HA 1 18 LYS H 4.000 . 5.000 4.173 3.453 4.529 . 0 0 "[ . 1 . 2]" 1
284 1 16 CYS QB 1 18 LYS H 4.000 . 6.000 3.596 2.373 4.345 . 0 0 "[ . 1 . 2]" 1
285 1 16 CYS HA 1 21 TYR QD 3.000 . 5.300 2.607 1.817 4.235 . 0 0 "[ . 1 . 2]" 1
286 1 16 CYS HA 1 21 TYR QE 3.000 . 5.300 3.105 1.882 4.635 . 0 0 "[ . 1 . 2]" 1
287 1 16 CYS QB 1 21 TYR QD 3.000 . 6.300 2.434 1.779 3.248 . 0 0 "[ . 1 . 2]" 1
288 1 16 CYS QB 1 21 TYR QE 3.000 . 6.300 3.311 2.087 4.230 . 0 0 "[ . 1 . 2]" 1
289 1 16 CYS HA 1 36 CYS QB 4.000 . 6.000 4.800 3.851 5.708 . 0 0 "[ . 1 . 2]" 1
290 1 16 CYS QB 1 36 CYS HA 4.000 . 6.000 3.473 2.430 4.870 . 0 0 "[ . 1 . 2]" 1
291 1 16 CYS QB 1 36 CYS QB 4.000 . 7.000 2.768 1.847 4.186 . 0 0 "[ . 1 . 2]" 1
292 1 16 CYS H 1 42 SER HA 3.000 . 3.300 3.148 2.471 3.404 0.104 1 0 "[ . 1 . 2]" 1
293 1 16 CYS QB 1 42 SER HA 4.000 . 6.000 4.177 3.284 5.177 . 0 0 "[ . 1 . 2]" 1
294 1 17 LEU H 1 17 LEU HG 3.000 . 3.300 2.635 1.888 3.647 0.347 14 0 "[ . 1 . 2]" 1
295 1 17 LEU HA 1 17 LEU HG 4.000 . 5.000 3.058 2.418 3.982 . 0 0 "[ . 1 . 2]" 1
296 1 17 LEU HA 1 17 LEU QD 4.000 . 7.900 2.686 1.875 3.396 . 0 0 "[ . 1 . 2]" 1
297 1 17 LEU HA 1 18 LYS H 4.000 . 5.000 3.472 3.173 3.584 . 0 0 "[ . 1 . 2]" 1
298 1 17 LEU QB 1 18 LYS H 3.000 . 4.300 2.918 2.183 3.922 . 0 0 "[ . 1 . 2]" 1
299 1 17 LEU HG 1 18 LYS H 3.000 . 4.300 3.798 1.894 4.364 0.064 5 0 "[ . 1 . 2]" 1
300 1 17 LEU H 1 18 LYS H 3.000 . 3.300 1.933 1.780 2.330 0.020 20 0 "[ . 1 . 2]" 1
301 1 17 LEU H 1 21 TYR QD 4.000 . 7.000 3.116 1.924 4.811 . 0 0 "[ . 1 . 2]" 1
302 1 17 LEU H 1 21 TYR QE 4.000 . 7.000 4.810 3.965 6.038 . 0 0 "[ . 1 . 2]" 1
303 1 18 LYS H 1 18 LYS QG 4.000 . 6.000 3.440 2.109 4.159 . 0 0 "[ . 1 . 2]" 1
304 1 18 LYS HA 1 19 ASP H 3.000 . 3.300 2.467 2.186 2.722 . 0 0 "[ . 1 . 2]" 1
305 1 18 LYS QB 1 19 ASP H 4.000 . 6.000 2.617 1.896 3.426 . 0 0 "[ . 1 . 2]" 1
306 1 18 LYS H 1 20 ASP H 4.000 . 5.000 4.897 4.403 5.041 0.041 6 0 "[ . 1 . 2]" 1
307 1 18 LYS QB 1 20 ASP H 4.000 . 6.000 2.486 2.221 2.818 . 0 0 "[ . 1 . 2]" 1
308 1 18 LYS QB 1 21 TYR H 4.000 . 6.000 2.767 2.250 3.978 . 0 0 "[ . 1 . 2]" 1
309 1 19 ASP H 1 19 ASP HB3 3.000 . 3.300 2.724 2.287 3.299 . 0 0 "[ . 1 . 2]" 1
310 1 19 ASP H 1 19 ASP HB2 3.000 . 3.300 2.483 2.068 2.951 . 0 0 "[ . 1 . 2]" 1
311 1 19 ASP HA 1 19 ASP HB2 2.500 . 2.800 2.572 2.356 2.814 0.014 8 0 "[ . 1 . 2]" 1
312 1 19 ASP HA 1 20 ASP H 4.000 . 5.000 3.497 3.432 3.554 . 0 0 "[ . 1 . 2]" 1
313 1 19 ASP HB3 1 20 ASP H 4.000 . 5.000 3.025 2.729 3.326 . 0 0 "[ . 1 . 2]" 1
314 1 19 ASP HB2 1 20 ASP H 4.000 . 5.000 3.919 3.391 4.317 . 0 0 "[ . 1 . 2]" 1
315 1 19 ASP H 1 20 ASP H 4.000 . 5.000 2.553 2.326 2.870 . 0 0 "[ . 1 . 2]" 1
316 1 19 ASP HA 1 22 CYS HB3 4.000 . 5.000 4.342 3.277 4.970 . 0 0 "[ . 1 . 2]" 1
317 1 19 ASP HA 1 22 CYS HB2 4.000 . 5.000 2.907 2.348 3.320 . 0 0 "[ . 1 . 2]" 1
318 1 19 ASP HA 1 35 TYR HA 4.000 . 5.000 3.018 2.439 3.658 . 0 0 "[ . 1 . 2]" 1
319 1 19 ASP HA 1 35 TYR HB3 4.000 . 5.000 4.576 3.711 5.117 0.117 1 0 "[ . 1 . 2]" 1
320 1 19 ASP HA 1 35 TYR HB2 4.000 . 5.000 3.746 2.937 4.483 . 0 0 "[ . 1 . 2]" 1
321 1 19 ASP HB3 1 35 TYR HA 4.000 . 5.000 4.757 4.242 5.090 0.090 1 0 "[ . 1 . 2]" 1
322 1 19 ASP HB2 1 35 TYR HA 4.000 . 5.000 4.495 3.555 5.074 0.074 18 0 "[ . 1 . 2]" 1
323 1 19 ASP HA 1 36 CYS H 2.500 . 2.700 2.537 2.193 2.758 0.058 4 0 "[ . 1 . 2]" 1
324 1 19 ASP HA 1 36 CYS HB3 4.000 . 5.000 3.265 2.348 4.214 . 0 0 "[ . 1 . 2]" 1
325 1 19 ASP HA 1 36 CYS HB2 4.000 . 5.000 2.975 1.947 3.814 . 0 0 "[ . 1 . 2]" 1
326 1 19 ASP HB3 1 36 CYS H 4.000 . 5.000 4.848 4.512 5.028 0.028 2 0 "[ . 1 . 2]" 1
327 1 19 ASP HB2 1 36 CYS H 4.000 . 5.000 3.817 2.981 4.526 . 0 0 "[ . 1 . 2]" 1
328 1 20 ASP H 1 20 ASP HA 3.000 . 3.300 2.888 2.838 2.939 . 0 0 "[ . 1 . 2]" 1
329 1 20 ASP H 1 20 ASP HB3 3.000 . 3.300 2.706 2.068 3.423 0.123 10 0 "[ . 1 . 2]" 1
330 1 20 ASP H 1 20 ASP HB2 3.000 . 3.300 3.453 3.304 3.572 0.272 6 0 "[ . 1 . 2]" 1
331 1 20 ASP HA 1 20 ASP HB3 3.000 . 3.300 2.491 2.245 2.857 . 0 0 "[ . 1 . 2]" 1
332 1 20 ASP HA 1 21 TYR H 4.000 . 5.000 3.564 3.475 3.607 . 0 0 "[ . 1 . 2]" 1
333 1 20 ASP HB3 1 21 TYR H 4.000 . 5.000 3.827 3.018 4.337 . 0 0 "[ . 1 . 2]" 1
334 1 20 ASP HB2 1 21 TYR H 4.000 . 5.000 3.569 2.554 4.316 . 0 0 "[ . 1 . 2]" 1
335 1 20 ASP H 1 21 TYR H 3.000 . 3.300 2.645 2.371 2.994 . 0 0 "[ . 1 . 2]" 1
336 1 20 ASP QB 1 21 TYR QD 4.000 . 8.000 5.870 5.276 6.322 . 0 0 "[ . 1 . 2]" 1
337 1 20 ASP HA 1 23 ASN H 4.000 . 5.000 3.301 2.907 3.646 . 0 0 "[ . 1 . 2]" 1
338 1 20 ASP HA 1 23 ASN HB3 2.500 . 2.700 2.807 2.722 2.887 0.187 7 0 "[ . 1 . 2]" 1
339 1 20 ASP HA 1 23 ASN HB2 4.000 . 5.000 3.241 2.922 3.635 . 0 0 "[ . 1 . 2]" 1
340 1 20 ASP HA 1 23 ASN QD 4.000 . 6.000 4.460 3.826 5.444 . 0 0 "[ . 1 . 2]" 1
341 1 20 ASP HA 1 24 ASP H 4.000 . 5.000 3.749 3.498 4.077 . 0 0 "[ . 1 . 2]" 1
342 1 21 TYR H 1 21 TYR HA 3.000 . 3.300 2.844 2.766 2.913 . 0 0 "[ . 1 . 2]" 1
343 1 21 TYR H 1 21 TYR HB3 2.500 . 2.700 2.479 2.351 2.620 . 0 0 "[ . 1 . 2]" 1
344 1 21 TYR H 1 21 TYR HB2 2.500 . 2.700 2.687 2.585 2.765 0.065 10 0 "[ . 1 . 2]" 1
345 1 21 TYR HA 1 21 TYR HB3 3.000 . 3.300 3.032 3.023 3.037 . 0 0 "[ . 1 . 2]" 1
346 1 21 TYR HA 1 21 TYR HB2 2.500 . 2.700 2.425 2.379 2.504 . 0 0 "[ . 1 . 2]" 1
347 1 21 TYR H 1 21 TYR QD 4.000 . 7.000 4.190 4.093 4.227 . 0 0 "[ . 1 . 2]" 1
348 1 21 TYR HA 1 21 TYR QD 2.500 . 3.700 2.480 1.826 3.153 . 0 0 "[ . 1 . 2]" 1
349 1 21 TYR HB3 1 21 TYR QD 2.500 . 4.700 2.416 2.319 2.548 . 0 0 "[ . 1 . 2]" 1
350 1 21 TYR HB2 1 21 TYR QD 2.500 . 4.700 2.584 2.337 2.787 . 0 0 "[ . 1 . 2]" 1
351 1 21 TYR HA 1 21 TYR QE 4.000 . 5.600 4.521 4.197 4.821 . 0 0 "[ . 1 . 2]" 1
352 1 21 TYR HA 1 22 CYS H 4.000 . 5.000 3.529 3.479 3.579 . 0 0 "[ . 1 . 2]" 1
353 1 21 TYR HB3 1 22 CYS H 3.000 . 3.300 2.690 2.230 2.899 . 0 0 "[ . 1 . 2]" 1
354 1 21 TYR HB2 1 22 CYS H 4.000 . 5.000 3.980 3.710 4.105 . 0 0 "[ . 1 . 2]" 1
355 1 21 TYR H 1 22 CYS H 3.000 . 3.300 2.690 2.453 2.998 . 0 0 "[ . 1 . 2]" 1
356 1 21 TYR QD 1 22 CYS HA 4.000 . 7.000 3.610 2.443 4.493 . 0 0 "[ . 1 . 2]" 1
357 1 21 TYR QE 1 22 CYS HA 4.000 . 7.000 4.512 3.634 5.480 . 0 0 "[ . 1 . 2]" 1
358 1 21 TYR HA 1 24 ASP H 4.000 . 5.000 3.893 3.469 4.101 . 0 0 "[ . 1 . 2]" 1
359 1 21 TYR HA 1 24 ASP HB3 3.000 . 4.300 3.074 2.760 3.426 . 0 0 "[ . 1 . 2]" 1
360 1 21 TYR HA 1 24 ASP HB2 4.000 . 5.000 3.808 3.206 4.080 . 0 0 "[ . 1 . 2]" 1
361 1 21 TYR QE 1 25 LEU MD1 3.000 . 6.200 3.023 2.353 3.719 . 0 0 "[ . 1 . 2]" 1
362 1 21 TYR QE 1 25 LEU MD2 3.000 . 6.200 3.135 1.734 4.141 . 0 0 "[ . 1 . 2]" 1
363 1 21 TYR QD 1 43 CYS QB 4.000 . 8.000 4.568 3.787 5.880 . 0 0 "[ . 1 . 2]" 1
364 1 21 TYR QE 1 43 CYS QB 4.000 . 8.000 4.020 2.640 5.787 . 0 0 "[ . 1 . 2]" 1
365 1 22 CYS H 1 22 CYS HB3 4.000 . 5.000 3.491 3.198 3.643 . 0 0 "[ . 1 . 2]" 1
366 1 22 CYS H 1 22 CYS HB2 2.500 . 2.700 2.297 2.064 2.503 . 0 0 "[ . 1 . 2]" 1
367 1 22 CYS HA 1 22 CYS HB3 2.500 . 2.700 2.632 2.473 2.852 0.152 20 0 "[ . 1 . 2]" 1
368 1 22 CYS HA 1 22 CYS HB2 3.000 . 3.300 2.965 2.822 3.029 . 0 0 "[ . 1 . 2]" 1
369 1 22 CYS HA 1 25 LEU H 4.000 . 5.000 4.106 3.448 4.340 . 0 0 "[ . 1 . 2]" 1
370 1 22 CYS CB 1 43 CYS SG 3.000 2.900 3.100 3.058 3.024 3.112 0.012 15 0 "[ . 1 . 2]" 1
371 1 22 CYS SG 1 43 CYS SG 2.000 . 2.100 2.019 2.010 2.024 . 0 0 "[ . 1 . 2]" 1
372 1 22 CYS SG 1 43 CYS CB 3.000 2.900 3.100 3.041 3.002 3.088 . 0 0 "[ . 1 . 2]" 1
373 1 22 CYS HA 1 23 ASN H 4.000 . 5.000 3.560 3.523 3.598 . 0 0 "[ . 1 . 2]" 1
374 1 22 CYS HB2 1 23 ASN H 4.000 . 6.000 2.688 2.203 3.267 . 0 0 "[ . 1 . 2]" 1
375 1 22 CYS HB3 1 23 ASN H 3.000 . 3.300 3.207 2.755 3.401 0.101 1 0 "[ . 1 . 2]" 1
376 1 22 CYS H 1 23 ASN H 3.000 . 3.300 2.664 2.437 2.915 . 0 0 "[ . 1 . 2]" 1
377 1 22 CYS H 1 24 ASP H 4.000 . 5.000 4.282 3.672 4.726 . 0 0 "[ . 1 . 2]" 1
378 1 22 CYS HA 1 25 LEU QB 3.000 . 4.300 2.833 2.487 3.092 . 0 0 "[ . 1 . 2]" 1
379 1 22 CYS HA 1 25 LEU QD 4.000 . 6.500 2.936 2.653 3.190 . 0 0 "[ . 1 . 2]" 1
380 1 22 CYS HA 1 26 CYS H 4.000 . 5.000 3.739 2.920 3.997 . 0 0 "[ . 1 . 2]" 1
381 1 22 CYS HB3 1 35 TYR HA 4.000 . 5.000 2.989 2.485 3.479 . 0 0 "[ . 1 . 2]" 1
382 1 22 CYS HB2 1 35 TYR HA 4.000 . 5.000 2.627 1.856 3.390 . 0 0 "[ . 1 . 2]" 1
383 1 23 ASN H 1 23 ASN HB3 2.500 . 2.700 2.661 2.375 2.835 0.135 13 0 "[ . 1 . 2]" 1
384 1 23 ASN H 1 23 ASN HB2 2.500 . 2.700 2.393 2.188 2.696 . 0 0 "[ . 1 . 2]" 1
385 1 23 ASN HA 1 23 ASN HB3 3.000 . 3.300 3.038 3.013 3.053 . 0 0 "[ . 1 . 2]" 1
386 1 23 ASN HA 1 23 ASN HB2 2.500 . 2.700 2.543 2.426 2.622 . 0 0 "[ . 1 . 2]" 1
387 1 23 ASN HB3 1 23 ASN HD21 3.000 . 3.300 2.648 2.230 3.551 0.251 13 0 "[ . 1 . 2]" 1
388 1 23 ASN HB2 1 23 ASN HD21 3.000 . 3.300 2.987 2.249 3.494 0.194 5 0 "[ . 1 . 2]" 1
389 1 23 ASN HB3 1 23 ASN HD22 4.000 . 5.000 3.683 3.502 4.093 . 0 0 "[ . 1 . 2]" 1
390 1 23 ASN HB2 1 23 ASN HD22 4.000 . 5.000 3.831 3.514 4.067 . 0 0 "[ . 1 . 2]" 1
391 1 23 ASN HA 1 24 ASP H 4.000 . 5.000 3.536 3.471 3.565 . 0 0 "[ . 1 . 2]" 1
392 1 23 ASN HB3 1 24 ASP H 3.000 . 3.300 2.193 1.967 2.564 . 0 0 "[ . 1 . 2]" 1
393 1 23 ASN HB2 1 24 ASP H 3.000 . 3.300 3.522 3.470 3.603 0.303 13 0 "[ . 1 . 2]" 1
394 1 23 ASN H 1 24 ASP H 2.500 . 2.700 2.793 2.734 2.854 0.154 4 0 "[ . 1 . 2]" 1
395 1 23 ASN H 1 25 LEU H 4.000 . 5.000 4.770 4.382 5.048 0.048 13 0 "[ . 1 . 2]" 1
396 1 23 ASN HA 1 26 CYS HB3 3.000 . 3.300 3.512 3.408 3.573 0.273 12 0 "[ . 1 . 2]" 1
397 1 23 ASN HA 1 26 CYS HB2 3.000 . 3.300 2.352 2.195 2.519 . 0 0 "[ . 1 . 2]" 1
398 1 23 ASN HA 1 26 CYS H 4.000 . 5.000 3.797 3.621 4.336 . 0 0 "[ . 1 . 2]" 1
399 1 23 ASN HD21 1 27 LEU QD 3.000 . 6.200 3.904 3.220 4.563 . 0 0 "[ . 1 . 2]" 1
400 1 23 ASN HD22 1 27 LEU QD 3.000 . 6.200 3.423 2.185 4.401 . 0 0 "[ . 1 . 2]" 1
401 1 23 ASN HA 1 27 LEU H 4.000 . 5.000 4.170 3.768 4.340 . 0 0 "[ . 1 . 2]" 1
402 1 23 ASN HA 1 34 GLY H 2.500 . 2.700 2.691 2.393 2.828 0.128 15 0 "[ . 1 . 2]" 1
403 1 24 ASP H 1 24 ASP HA 3.000 . 3.300 2.840 2.793 2.910 . 0 0 "[ . 1 . 2]" 1
404 1 24 ASP H 1 24 ASP HB3 2.500 . 2.700 2.717 2.480 2.832 0.132 20 0 "[ . 1 . 2]" 1
405 1 24 ASP H 1 24 ASP HB2 2.500 . 2.700 2.406 2.254 2.658 . 0 0 "[ . 1 . 2]" 1
406 1 24 ASP HA 1 24 ASP HB3 3.000 . 3.300 3.026 3.008 3.039 . 0 0 "[ . 1 . 2]" 1
407 1 24 ASP HA 1 24 ASP HB2 2.500 . 2.700 2.543 2.428 2.606 . 0 0 "[ . 1 . 2]" 1
408 1 24 ASP HA 1 25 LEU H 4.000 . 5.000 3.564 3.529 3.588 . 0 0 "[ . 1 . 2]" 1
409 1 24 ASP HB3 1 25 LEU H 3.000 . 3.300 1.874 1.819 2.005 . 0 0 "[ . 1 . 2]" 1
410 1 24 ASP HB2 1 25 LEU H 3.000 . 3.300 3.394 3.348 3.426 0.126 11 0 "[ . 1 . 2]" 1
411 1 24 ASP H 1 25 LEU H 3.000 . 3.300 3.120 2.947 3.231 . 0 0 "[ . 1 . 2]" 1
412 1 24 ASP HA 1 27 LEU H 4.000 . 5.000 3.392 3.214 3.557 . 0 0 "[ . 1 . 2]" 1
413 1 24 ASP HA 1 27 LEU QB 2.500 . 3.700 2.904 2.531 3.006 . 0 0 "[ . 1 . 2]" 1
414 1 24 ASP HA 1 27 LEU HG 4.000 . 5.000 3.992 2.807 4.935 . 0 0 "[ . 1 . 2]" 1
415 1 24 ASP HA 1 27 LEU QD 3.000 . 6.200 2.548 1.813 3.731 . 0 0 "[ . 1 . 2]" 1
416 1 24 ASP HA 1 28 GLU H 4.000 . 5.000 4.450 4.229 4.716 . 0 0 "[ . 1 . 2]" 1
417 1 25 LEU H 1 25 LEU HA 2.500 . 2.700 2.767 2.739 2.786 0.086 20 0 "[ . 1 . 2]" 1
418 1 25 LEU H 1 25 LEU HB3 2.500 . 2.700 2.471 2.365 2.719 0.019 18 0 "[ . 1 . 2]" 1
419 1 25 LEU H 1 25 LEU HB2 2.500 . 2.700 2.634 2.443 2.740 0.040 14 0 "[ . 1 . 2]" 1
420 1 25 LEU H 1 25 LEU HG 4.000 . 5.000 4.416 4.395 4.509 . 0 0 "[ . 1 . 2]" 1
421 1 25 LEU H 1 25 LEU MD1 4.000 . 6.100 4.198 3.871 4.351 . 0 0 "[ . 1 . 2]" 1
422 1 25 LEU H 1 25 LEU MD2 4.000 . 6.100 4.119 3.925 4.327 . 0 0 "[ . 1 . 2]" 1
423 1 25 LEU HA 1 25 LEU HG 3.000 . 3.300 2.736 2.585 2.852 . 0 0 "[ . 1 . 2]" 1
424 1 25 LEU HA 1 25 LEU MD1 4.000 . 6.100 2.857 1.980 3.230 . 0 0 "[ . 1 . 2]" 1
425 1 25 LEU HA 1 25 LEU MD2 4.000 . 6.100 3.882 3.759 3.940 . 0 0 "[ . 1 . 2]" 1
426 1 25 LEU HA 1 26 CYS H 4.000 . 5.000 3.506 3.474 3.565 . 0 0 "[ . 1 . 2]" 1
427 1 25 LEU QB 1 26 CYS H 3.000 . 4.300 2.728 2.224 2.949 . 0 0 "[ . 1 . 2]" 1
428 1 25 LEU HG 1 26 CYS H 4.000 . 5.000 3.803 3.459 4.018 . 0 0 "[ . 1 . 2]" 1
429 1 25 LEU MD1 1 26 CYS H 4.000 . 6.100 4.772 4.432 4.923 . 0 0 "[ . 1 . 2]" 1
430 1 25 LEU MD2 1 26 CYS H 4.000 . 6.100 3.536 2.789 4.287 . 0 0 "[ . 1 . 2]" 1
431 1 25 LEU H 1 26 CYS H 3.000 . 3.300 2.860 2.777 3.007 . 0 0 "[ . 1 . 2]" 1
432 1 25 LEU MD1 1 26 CYS HA 4.000 . 6.100 5.134 5.030 5.234 . 0 0 "[ . 1 . 2]" 1
433 1 25 LEU MD2 1 26 CYS HA 4.000 . 6.100 3.531 2.800 4.598 . 0 0 "[ . 1 . 2]" 1
434 1 25 LEU QD 1 26 CYS HB2 4.000 . 7.900 4.587 4.071 5.044 . 0 0 "[ . 1 . 2]" 1
435 1 25 LEU QD 1 27 LEU H 4.000 . 7.900 5.185 4.793 5.504 . 0 0 "[ . 1 . 2]" 1
436 1 25 LEU H 1 27 LEU H 4.000 . 5.000 4.465 4.175 4.681 . 0 0 "[ . 1 . 2]" 1
437 1 25 LEU HA 1 28 GLU H 4.000 . 5.000 3.509 3.307 3.683 . 0 0 "[ . 1 . 2]" 1
438 1 25 LEU HA 1 28 GLU QB 3.000 . 4.300 2.765 2.375 3.095 . 0 0 "[ . 1 . 2]" 1
439 1 25 LEU QD 1 28 GLU H 4.000 . 7.900 4.919 4.695 5.158 . 0 0 "[ . 1 . 2]" 1
440 1 25 LEU MD1 1 28 GLU QB 4.000 . 7.100 3.887 3.327 4.573 . 0 0 "[ . 1 . 2]" 1
441 1 25 LEU MD2 1 28 GLU QB 4.000 . 7.100 5.012 4.752 5.273 . 0 0 "[ . 1 . 2]" 1
442 1 25 LEU MD1 1 29 ARG HD3 4.000 . 6.100 4.424 3.266 4.982 . 0 0 "[ . 1 . 2]" 1
443 1 25 LEU MD1 1 29 ARG HD2 4.000 . 6.100 3.809 3.318 4.450 . 0 0 "[ . 1 . 2]" 1
444 1 25 LEU MD2 1 29 ARG HD3 4.000 . 6.100 4.184 2.742 5.020 . 0 0 "[ . 1 . 2]" 1
445 1 25 LEU MD2 1 29 ARG HD2 4.000 . 6.100 3.669 3.092 4.881 . 0 0 "[ . 1 . 2]" 1
446 1 25 LEU MD1 1 29 ARG HE 4.000 . 6.100 3.343 1.849 4.931 . 0 0 "[ . 1 . 2]" 1
447 1 25 LEU MD2 1 29 ARG HE 4.000 . 6.100 4.214 2.486 5.105 . 0 0 "[ . 1 . 2]" 1
448 1 25 LEU QD 1 43 CYS HA 4.000 . 7.500 4.898 4.373 5.279 . 0 0 "[ . 1 . 2]" 1
449 1 26 CYS H 1 26 CYS HA 2.500 . 2.700 2.829 2.739 2.865 0.165 15 0 "[ . 1 . 2]" 1
450 1 26 CYS H 1 26 CYS HB2 2.500 . 2.700 2.128 2.035 2.305 . 0 0 "[ . 1 . 2]" 1
451 1 26 CYS H 1 26 CYS HB3 3.000 . 3.300 3.437 3.215 3.501 0.201 13 0 "[ . 1 . 2]" 1
452 1 26 CYS HA 1 26 CYS HB2 3.000 . 3.300 2.972 2.846 3.017 . 0 0 "[ . 1 . 2]" 1
453 1 26 CYS HA 1 26 CYS HB3 3.000 . 3.300 2.690 2.604 2.873 . 0 0 "[ . 1 . 2]" 1
454 1 26 CYS CB 1 45 CYS SG 3.000 2.900 3.100 3.061 3.024 3.097 . 0 0 "[ . 1 . 2]" 1
455 1 26 CYS SG 1 45 CYS SG 2.000 . 2.100 2.019 2.015 2.023 . 0 0 "[ . 1 . 2]" 1
456 1 26 CYS SG 1 45 CYS CB 3.000 2.900 3.100 3.027 2.980 3.049 . 0 0 "[ . 1 . 2]" 1
457 1 26 CYS HA 1 27 LEU H 4.000 . 5.000 3.548 3.524 3.564 . 0 0 "[ . 1 . 2]" 1
458 1 26 CYS HB3 1 27 LEU H 3.000 . 3.300 3.161 2.608 3.318 0.018 13 0 "[ . 1 . 2]" 1
459 1 26 CYS HB2 1 27 LEU H 3.000 . 3.300 2.715 2.511 3.032 . 0 0 "[ . 1 . 2]" 1
460 1 26 CYS H 1 27 LEU H 2.500 . 2.700 2.685 2.564 2.874 0.174 13 0 "[ . 1 . 2]" 1
461 1 26 CYS HB3 1 27 LEU QD 4.000 . 7.900 4.497 3.022 5.483 . 0 0 "[ . 1 . 2]" 1
462 1 26 CYS HB2 1 27 LEU QD 4.000 . 7.900 4.428 3.494 5.552 . 0 0 "[ . 1 . 2]" 1
463 1 26 CYS HA 1 29 ARG H 4.000 . 5.000 3.444 3.140 3.685 . 0 0 "[ . 1 . 2]" 1
464 1 26 CYS HA 1 29 ARG QB 3.000 . 4.300 2.910 2.330 3.580 . 0 0 "[ . 1 . 2]" 1
465 1 26 CYS HA 1 30 LYS H 4.000 . 5.000 4.904 4.472 5.106 0.106 13 0 "[ . 1 . 2]" 1
466 1 26 CYS HA 1 31 ALA MB 4.000 . 6.100 3.057 2.507 3.447 . 0 0 "[ . 1 . 2]" 1
467 1 26 CYS HB2 1 31 ALA MB 4.000 . 6.100 3.708 3.238 4.146 . 0 0 "[ . 1 . 2]" 1
468 1 26 CYS HB3 1 31 ALA MB 4.000 . 6.100 2.258 1.816 2.917 . 0 0 "[ . 1 . 2]" 1
469 1 26 CYS HA 1 34 GLY QA 4.000 . 6.000 4.828 4.506 5.067 . 0 0 "[ . 1 . 2]" 1
470 1 26 CYS HB3 1 34 GLY QA 4.000 . 6.000 3.294 2.835 4.267 . 0 0 "[ . 1 . 2]" 1
471 1 26 CYS HB2 1 34 GLY QA 4.000 . 6.000 3.374 2.574 3.919 . 0 0 "[ . 1 . 2]" 1
472 1 26 CYS H 1 34 GLY QA 4.000 . 6.000 4.991 4.235 5.238 . 0 0 "[ . 1 . 2]" 1
473 1 26 CYS HB3 1 45 CYS HA 4.000 . 5.000 3.577 3.139 5.086 0.086 18 0 "[ . 1 . 2]" 1
474 1 26 CYS HB2 1 45 CYS HA 4.000 . 5.000 4.320 3.947 4.690 . 0 0 "[ . 1 . 2]" 1
475 1 27 LEU H 1 27 LEU HA 2.500 . 2.700 2.824 2.794 2.857 0.157 20 0 "[ . 1 . 2]" 1
476 1 27 LEU H 1 27 LEU QB 3.000 . 3.900 2.225 1.996 2.487 . 0 0 "[ . 1 . 2]" 1
477 1 27 LEU H 1 27 LEU HG 3.000 . 3.300 2.798 2.111 3.414 0.114 18 0 "[ . 1 . 2]" 1
478 1 27 LEU H 1 27 LEU QD 4.000 . 7.900 3.098 2.294 3.529 . 0 0 "[ . 1 . 2]" 1
479 1 27 LEU HA 1 27 LEU QB 2.500 . 3.800 2.382 2.158 2.535 . 0 0 "[ . 1 . 2]" 1
480 1 27 LEU HA 1 27 LEU HG 3.000 . 3.300 2.823 2.066 3.519 0.219 19 0 "[ . 1 . 2]" 1
481 1 27 LEU HA 1 27 LEU QD 2.500 . 6.400 2.394 1.843 3.237 . 0 0 "[ . 1 . 2]" 1
482 1 27 LEU QB 1 27 LEU QD 2.500 . 7.400 1.854 1.699 1.961 . 0 0 "[ . 1 . 2]" 1
483 1 27 LEU HA 1 28 GLU H 4.000 . 5.000 3.530 3.461 3.567 . 0 0 "[ . 1 . 2]" 1
484 1 27 LEU QB 1 28 GLU H 3.000 . 4.300 2.839 2.472 3.465 . 0 0 "[ . 1 . 2]" 1
485 1 27 LEU HG 1 28 GLU H 4.000 . 5.000 4.000 2.150 4.891 . 0 0 "[ . 1 . 2]" 1
486 1 27 LEU QD 1 28 GLU H 4.000 . 7.900 3.859 3.110 4.170 . 0 0 "[ . 1 . 2]" 1
487 1 27 LEU H 1 28 GLU H 2.500 . 2.700 2.670 2.544 2.748 0.048 9 0 "[ . 1 . 2]" 1
488 1 27 LEU HA 1 30 LYS H 4.000 . 5.000 3.403 3.057 3.796 . 0 0 "[ . 1 . 2]" 1
489 1 27 LEU QD 1 30 LYS H 4.000 . 7.900 4.576 4.087 5.404 . 0 0 "[ . 1 . 2]" 1
490 1 27 LEU HA 1 31 ALA H 3.000 . 3.300 2.931 1.917 3.402 0.102 18 0 "[ . 1 . 2]" 1
491 1 27 LEU QD 1 32 ASP HA 4.000 . 7.500 3.740 2.201 5.510 . 0 0 "[ . 1 . 2]" 1
492 1 28 GLU H 1 28 GLU HA 2.500 . 2.700 2.836 2.789 2.866 0.166 12 0 "[ . 1 . 2]" 1
493 1 28 GLU H 1 28 GLU QB 2.500 . 3.300 2.203 2.061 2.463 . 0 0 "[ . 1 . 2]" 1
494 1 28 GLU H 1 28 GLU QG 4.000 . 6.000 3.455 2.070 3.996 . 0 0 "[ . 1 . 2]" 1
495 1 28 GLU HA 1 28 GLU QB 2.500 . 3.300 2.464 2.317 2.540 . 0 0 "[ . 1 . 2]" 1
496 1 28 GLU HA 1 29 ARG H 3.000 . 3.300 3.487 3.444 3.517 0.217 7 0 "[ . 1 . 2]" 1
497 1 28 GLU QB 1 29 ARG H 4.000 . 6.000 2.672 2.393 2.984 . 0 0 "[ . 1 . 2]" 1
498 1 28 GLU H 1 29 ARG H 2.500 . 2.700 2.611 2.458 2.736 0.036 20 0 "[ . 1 . 2]" 1
499 1 29 ARG H 1 29 ARG HA 2.500 . 2.700 2.880 2.828 2.918 0.218 13 0 "[ . 1 . 2]" 1
500 1 29 ARG H 1 29 ARG QB 2.500 . 3.300 2.322 2.062 2.911 . 0 0 "[ . 1 . 2]" 1
501 1 29 ARG H 1 29 ARG QG 4.000 . 6.000 2.999 1.771 3.942 . 0 0 "[ . 1 . 2]" 1
502 1 29 ARG HA 1 29 ARG QB 2.500 . 3.300 2.435 2.208 2.540 . 0 0 "[ . 1 . 2]" 1
503 1 29 ARG HA 1 29 ARG QG 3.000 . 3.900 2.354 1.920 3.315 . 0 0 "[ . 1 . 2]" 1
504 1 29 ARG HA 1 29 ARG QD 4.000 . 6.000 3.133 1.876 3.926 . 0 0 "[ . 1 . 2]" 1
505 1 29 ARG HA 1 30 LYS H 3.000 . 3.300 3.330 3.168 3.483 0.183 11 0 "[ . 1 . 2]" 1
506 1 29 ARG H 1 30 LYS H 3.000 . 3.300 2.555 2.415 2.705 . 0 0 "[ . 1 . 2]" 1
507 1 29 ARG H 1 31 ALA H 4.000 . 5.000 3.773 3.349 4.443 . 0 0 "[ . 1 . 2]" 1
508 1 29 ARG QD 1 48 LEU QD 4.000 . 8.500 3.379 2.551 4.283 . 0 0 "[ . 1 . 2]" 1
509 1 29 ARG H 1 48 LEU QD 4.000 . 7.500 4.275 3.869 4.532 . 0 0 "[ . 1 . 2]" 1
510 1 30 LYS H 1 30 LYS HA 2.500 . 2.700 2.419 2.348 2.554 . 0 0 "[ . 1 . 2]" 1
511 1 30 LYS H 1 30 LYS QG 4.000 . 6.000 3.982 3.219 4.351 . 0 0 "[ . 1 . 2]" 1
512 1 30 LYS H 1 30 LYS QD 4.000 . 6.000 4.858 4.602 5.049 . 0 0 "[ . 1 . 2]" 1
513 1 30 LYS HA 1 30 LYS QB 2.500 . 3.300 2.336 2.179 2.466 . 0 0 "[ . 1 . 2]" 1
514 1 30 LYS HA 1 30 LYS QG 3.000 . 3.900 2.600 2.083 3.377 . 0 0 "[ . 1 . 2]" 1
515 1 30 LYS HA 1 30 LYS QD 4.000 . 6.000 3.525 2.820 3.852 . 0 0 "[ . 1 . 2]" 1
516 1 30 LYS HA 1 31 ALA H 3.000 . 3.300 3.049 2.540 3.315 0.015 20 0 "[ . 1 . 2]" 1
517 1 30 LYS QB 1 31 ALA H 4.000 . 6.000 3.809 3.338 4.032 . 0 0 "[ . 1 . 2]" 1
518 1 30 LYS H 1 31 ALA H 3.000 . 3.300 2.308 1.866 2.856 . 0 0 "[ . 1 . 2]" 1
519 1 30 LYS HD3 1 47 GLY HA3 4.000 . 5.000 4.468 4.143 4.806 . 0 0 "[ . 1 . 2]" 1
520 1 30 LYS HD3 1 47 GLY HA2 4.000 . 5.000 5.024 4.651 5.072 0.072 18 0 "[ . 1 . 2]" 1
521 1 30 LYS HD2 1 47 GLY HA3 4.000 . 5.000 4.710 4.250 5.004 0.004 7 0 "[ . 1 . 2]" 1
522 1 30 LYS HD2 1 47 GLY HA2 4.000 . 5.000 4.977 4.042 5.080 0.080 15 0 "[ . 1 . 2]" 1
523 1 30 LYS QG 1 47 GLY QA 4.000 . 7.000 5.149 4.135 5.590 . 0 0 "[ . 1 . 2]" 1
524 1 31 ALA H 1 31 ALA HA 3.000 . 3.300 2.938 2.875 2.992 . 0 0 "[ . 1 . 2]" 1
525 1 31 ALA H 1 31 ALA MB 2.500 . 3.100 2.275 2.068 2.564 . 0 0 "[ . 1 . 2]" 1
526 1 31 ALA HA 1 32 ASP H 2.500 . 2.700 2.260 2.195 2.358 . 0 0 "[ . 1 . 2]" 1
527 1 31 ALA MB 1 32 ASP H 2.500 . 3.400 2.794 2.617 2.901 . 0 0 "[ . 1 . 2]" 1
528 1 31 ALA HA 1 33 LYS H 4.000 . 5.000 4.294 3.986 4.658 . 0 0 "[ . 1 . 2]" 1
529 1 31 ALA MB 1 33 LYS H 3.000 . 4.200 3.024 2.728 3.353 . 0 0 "[ . 1 . 2]" 1
530 1 31 ALA MB 1 46 TYR H 4.000 . 6.100 2.054 1.856 2.478 . 0 0 "[ . 1 . 2]" 1
531 1 31 ALA MB 1 45 CYS HA 4.000 . 6.100 3.399 3.212 3.981 . 0 0 "[ . 1 . 2]" 1
532 1 31 ALA MB 1 45 CYS HB3 4.000 . 6.100 1.885 1.727 2.485 . 0 0 "[ . 1 . 2]" 1
533 1 31 ALA MB 1 45 CYS HB2 4.000 . 6.100 3.083 2.787 3.776 . 0 0 "[ . 1 . 2]" 1
534 1 31 ALA H 1 48 LEU QD 4.000 . 7.900 3.329 2.713 4.460 . 0 0 "[ . 1 . 2]" 1
535 1 32 ASP H 1 32 ASP HA 2.500 . 2.700 2.862 2.782 2.901 0.201 19 0 "[ . 1 . 2]" 1
536 1 32 ASP H 1 32 ASP HB3 2.500 . 2.700 2.830 2.735 2.887 0.187 9 0 "[ . 1 . 2]" 1
537 1 32 ASP H 1 32 ASP HB2 2.500 . 2.700 2.225 2.127 2.351 . 0 0 "[ . 1 . 2]" 1
538 1 32 ASP HA 1 32 ASP HB3 3.000 . 3.300 2.980 2.956 3.009 . 0 0 "[ . 1 . 2]" 1
539 1 32 ASP HA 1 32 ASP HB2 2.500 . 2.700 2.656 2.605 2.699 . 0 0 "[ . 1 . 2]" 1
540 1 32 ASP HA 1 33 LYS H 4.000 . 5.000 3.554 3.506 3.567 . 0 0 "[ . 1 . 2]" 1
541 1 32 ASP HB3 1 33 LYS H 3.000 . 3.300 2.393 2.104 2.667 . 0 0 "[ . 1 . 2]" 1
542 1 32 ASP HB2 1 33 LYS H 3.000 . 3.300 3.414 3.372 3.464 0.164 9 0 "[ . 1 . 2]" 1
543 1 32 ASP H 1 33 LYS H 2.500 . 2.700 2.569 2.283 2.789 0.089 3 0 "[ . 1 . 2]" 1
544 1 32 ASP H 1 47 GLY QA 3.000 . 4.300 2.132 1.803 2.456 . 0 0 "[ . 1 . 2]" 1
545 1 32 ASP HB3 1 47 GLY QA 4.000 . 6.000 4.110 3.800 4.366 . 0 0 "[ . 1 . 2]" 1
546 1 32 ASP HB2 1 47 GLY QA 4.000 . 6.000 3.205 2.945 3.513 . 0 0 "[ . 1 . 2]" 1
547 1 33 LYS H 1 33 LYS QG 4.000 . 6.000 2.656 1.871 4.137 . 0 0 "[ . 1 . 2]" 1
548 1 33 LYS HA 1 34 GLY H 4.000 . 5.000 2.420 2.251 2.686 . 0 0 "[ . 1 . 2]" 1
549 1 33 LYS QB 1 34 GLY H 3.000 . 4.300 2.707 2.158 3.675 . 0 0 "[ . 1 . 2]" 1
550 1 33 LYS QG 1 34 GLY H 4.000 . 6.000 3.522 1.888 4.566 . 0 0 "[ . 1 . 2]" 1
551 1 33 LYS H 1 34 GLY H 4.000 . 5.000 4.423 4.310 4.462 . 0 0 "[ . 1 . 2]" 1
552 1 33 LYS H 1 45 CYS HA 4.000 . 5.000 5.006 4.865 5.097 0.097 18 0 "[ . 1 . 2]" 1
553 1 33 LYS QB 1 46 TYR H 4.000 . 6.000 5.086 4.382 5.432 . 0 0 "[ . 1 . 2]" 1
554 1 33 LYS QG 1 46 TYR H 4.000 . 6.000 4.334 3.690 5.193 . 0 0 "[ . 1 . 2]" 1
555 1 33 LYS QD 1 46 TYR H 4.000 . 6.000 4.804 4.090 5.475 . 0 0 "[ . 1 . 2]" 1
556 1 33 LYS H 1 46 TYR HB2 4.000 . 5.000 2.652 2.352 2.929 . 0 0 "[ . 1 . 2]" 1
557 1 33 LYS H 1 46 TYR H 3.000 . 3.300 3.194 3.095 3.340 0.040 18 0 "[ . 1 . 2]" 1
558 1 33 LYS QB 1 46 TYR QD 4.000 . 8.000 4.131 3.177 4.818 . 0 0 "[ . 1 . 2]" 1
559 1 33 LYS QB 1 46 TYR QE 4.000 . 8.000 5.537 4.486 6.066 . 0 0 "[ . 1 . 2]" 1
560 1 33 LYS QG 1 46 TYR QD 3.000 . 6.300 3.365 2.083 4.764 . 0 0 "[ . 1 . 2]" 1
561 1 33 LYS QG 1 46 TYR QE 4.000 . 8.000 4.889 3.723 6.254 . 0 0 "[ . 1 . 2]" 1
562 1 33 LYS QD 1 46 TYR QD 3.000 . 6.300 3.246 2.209 4.250 . 0 0 "[ . 1 . 2]" 1
563 1 34 GLY QA 1 35 TYR H 4.000 . 6.000 2.212 2.156 2.287 . 0 0 "[ . 1 . 2]" 1
564 1 34 GLY H 1 35 TYR H 4.000 . 5.000 4.245 4.113 4.373 . 0 0 "[ . 1 . 2]" 1
565 1 34 GLY QA 1 45 CYS HA 3.000 . 4.300 1.871 1.778 2.074 . 0 0 "[ . 1 . 2]" 1
566 1 34 GLY QA 1 46 TYR H 4.000 . 6.000 3.283 3.029 3.485 . 0 0 "[ . 1 . 2]" 1
567 1 34 GLY QA 1 46 TYR QD 4.000 . 8.000 1.889 1.744 2.729 . 0 0 "[ . 1 . 2]" 1
568 1 34 GLY QA 1 46 TYR QE 4.000 . 8.000 2.965 2.425 4.125 . 0 0 "[ . 1 . 2]" 1
569 1 35 TYR H 1 35 TYR HB3 4.000 . 5.300 3.192 2.947 3.370 . 0 0 "[ . 1 . 2]" 1
570 1 35 TYR H 1 35 TYR HB2 4.000 . 5.300 3.781 3.715 3.980 . 0 0 "[ . 1 . 2]" 1
571 1 35 TYR HA 1 35 TYR HB3 2.500 . 2.700 2.420 2.331 2.574 . 0 0 "[ . 1 . 2]" 1
572 1 35 TYR HA 1 35 TYR HB2 2.500 . 2.700 2.496 2.324 2.577 . 0 0 "[ . 1 . 2]" 1
573 1 35 TYR HA 1 35 TYR QD 4.000 . 6.000 3.665 3.434 3.717 . 0 0 "[ . 1 . 2]" 1
574 1 35 TYR HB3 1 35 TYR QD 2.500 . 4.700 2.409 2.298 2.702 . 0 0 "[ . 1 . 2]" 1
575 1 35 TYR HB2 1 35 TYR QD 2.500 . 4.700 2.516 2.289 2.716 . 0 0 "[ . 1 . 2]" 1
576 1 35 TYR HA 1 36 CYS H 2.500 . 2.700 2.560 2.267 2.738 0.038 4 0 "[ . 1 . 2]" 1
577 1 35 TYR HB3 1 36 CYS H 3.000 . 3.300 3.505 3.388 3.771 0.471 15 0 "[ . 1 . 2]" 1
578 1 35 TYR HB2 1 36 CYS H 3.000 . 3.300 2.085 1.837 2.630 . 0 0 "[ . 1 . 2]" 1
579 1 35 TYR QE 1 37 TYR QD 4.000 . 9.000 3.086 1.872 4.538 . 0 0 "[ . 1 . 2]" 1
580 1 35 TYR QE 1 37 TYR QE 4.000 . 9.000 4.804 3.795 6.089 . 0 0 "[ . 1 . 2]" 1
581 1 35 TYR QD 1 37 TYR H 4.000 . 7.000 3.503 2.735 4.927 . 0 0 "[ . 1 . 2]" 1
582 1 35 TYR QD 1 44 TYR HB3 4.000 . 7.000 3.046 1.880 3.653 . 0 0 "[ . 1 . 2]" 1
583 1 35 TYR QD 1 44 TYR HB2 4.000 . 7.000 3.775 2.916 4.662 . 0 0 "[ . 1 . 2]" 1
584 1 35 TYR QE 1 44 TYR HB3 4.000 . 7.000 2.858 1.872 3.592 . 0 0 "[ . 1 . 2]" 1
585 1 35 TYR QE 1 44 TYR HB2 4.000 . 7.000 3.178 2.668 4.250 . 0 0 "[ . 1 . 2]" 1
586 1 35 TYR QD 1 44 TYR QD 4.000 . 9.000 4.061 2.849 4.550 . 0 0 "[ . 1 . 2]" 1
587 1 35 TYR QD 1 44 TYR QE 3.000 . 7.300 5.766 5.005 6.107 . 0 0 "[ . 1 . 2]" 1
588 1 35 TYR QE 1 44 TYR QD 3.000 . 7.300 3.144 1.853 3.957 . 0 0 "[ . 1 . 2]" 1
589 1 35 TYR QE 1 44 TYR QE 4.000 . 9.000 4.328 3.390 4.783 . 0 0 "[ . 1 . 2]" 1
590 1 35 TYR H 1 45 CYS HA 4.000 . 5.000 3.950 3.664 4.107 . 0 0 "[ . 1 . 2]" 1
591 1 35 TYR QE 1 46 TYR QD 3.000 . 7.300 4.500 4.020 5.149 . 0 0 "[ . 1 . 2]" 1
592 1 36 CYS H 1 36 CYS HB3 4.000 . 5.300 2.556 2.247 3.174 . 0 0 "[ . 1 . 2]" 1
593 1 36 CYS H 1 36 CYS HB2 2.500 . 2.700 2.798 2.446 2.983 0.283 17 0 "[ . 1 . 2]" 1
594 1 36 CYS HA 1 36 CYS HB3 3.000 . 3.300 3.002 2.916 3.034 . 0 0 "[ . 1 . 2]" 1
595 1 36 CYS HA 1 36 CYS HB2 3.000 . 3.300 2.484 2.338 2.792 . 0 0 "[ . 1 . 2]" 1
596 1 36 CYS HA 1 37 TYR H 3.000 . 3.300 2.184 2.118 2.268 . 0 0 "[ . 1 . 2]" 1
597 1 36 CYS HB3 1 37 TYR H 4.000 . 5.000 4.307 3.825 4.518 . 0 0 "[ . 1 . 2]" 1
598 1 36 CYS HB2 1 37 TYR H 4.000 . 5.000 4.418 4.186 4.601 . 0 0 "[ . 1 . 2]" 1
599 1 36 CYS H 1 37 TYR H 4.000 . 5.000 4.307 4.089 4.488 . 0 0 "[ . 1 . 2]" 1
600 1 36 CYS HA 1 43 CYS HA 3.000 . 3.300 2.131 1.803 2.573 . 0 0 "[ . 1 . 2]" 1
601 1 36 CYS HB3 1 43 CYS HA 4.000 . 5.000 4.827 4.141 5.117 0.117 15 0 "[ . 1 . 2]" 1
602 1 36 CYS HA 1 44 TYR H 4.000 . 5.000 3.132 2.466 3.474 . 0 0 "[ . 1 . 2]" 1
603 1 36 CYS HB2 1 44 TYR H 4.000 . 5.000 5.076 4.886 5.167 0.167 7 0 "[ . 1 . 2]" 1
604 1 37 TYR H 1 37 TYR HB3 3.000 . 3.500 2.662 2.391 2.985 . 0 0 "[ . 1 . 2]" 1
605 1 37 TYR H 1 37 TYR HB2 3.000 . 3.500 2.618 2.246 3.076 . 0 0 "[ . 1 . 2]" 1
606 1 37 TYR QD 1 38 TRP H 4.000 . 6.000 3.265 1.912 4.297 . 0 0 "[ . 1 . 2]" 1
607 1 37 TYR H 1 43 CYS HA 4.000 . 5.000 2.930 2.476 3.602 . 0 0 "[ . 1 . 2]" 1
608 1 37 TYR H 1 42 SER H 4.000 . 5.000 4.026 3.242 4.386 . 0 0 "[ . 1 . 2]" 1
609 1 37 TYR QB 1 42 SER H 4.000 . 6.000 3.124 2.676 3.835 . 0 0 "[ . 1 . 2]" 1
610 1 37 TYR HB3 1 44 TYR HB3 4.000 . 5.000 5.045 4.771 5.136 0.136 17 0 "[ . 1 . 2]" 1
611 1 37 TYR HB3 1 44 TYR HB2 4.000 . 5.000 3.580 3.184 3.972 . 0 0 "[ . 1 . 2]" 1
612 1 37 TYR HB2 1 44 TYR HB3 4.000 . 5.000 3.871 3.428 4.643 . 0 0 "[ . 1 . 2]" 1
613 1 37 TYR HB2 1 44 TYR HB2 4.000 . 5.000 2.806 2.102 3.923 . 0 0 "[ . 1 . 2]" 1
614 1 37 TYR QD 1 44 TYR HB3 4.000 . 7.000 5.205 3.846 6.163 . 0 0 "[ . 1 . 2]" 1
615 1 37 TYR QD 1 44 TYR HB2 4.000 . 7.000 4.369 3.291 5.208 . 0 0 "[ . 1 . 2]" 1
616 1 37 TYR QD 1 44 TYR QD 4.000 . 9.000 4.427 3.197 5.549 . 0 0 "[ . 1 . 2]" 1
617 1 38 TRP H 1 38 TRP QB 3.000 . 4.300 2.111 2.030 2.224 . 0 0 "[ . 1 . 2]" 1
618 1 38 TRP H 1 38 TRP HD1 4.000 . 5.000 3.170 2.514 3.978 . 0 0 "[ . 1 . 2]" 1
619 1 38 TRP HB3 1 38 TRP HE3 4.000 . 5.000 2.588 2.454 3.031 . 0 0 "[ . 1 . 2]" 1
620 1 17 LEU HA 1 38 TRP HZ2 4.000 . 5.000 3.440 2.003 5.027 0.027 6 0 "[ . 1 . 2]" 1
621 1 17 LEU HA 1 38 TRP HD1 4.000 . 5.000 4.728 3.751 5.059 0.059 14 0 "[ . 1 . 2]" 1
622 1 17 LEU QD 1 38 TRP HZ2 4.000 . 7.500 3.646 1.838 5.427 . 0 0 "[ . 1 . 2]" 1
623 1 39 GLY QA 1 40 LYS H 4.000 . 6.000 2.757 2.189 2.870 . 0 0 "[ . 1 . 2]" 1
624 1 39 GLY H 1 40 LYS H 4.000 . 5.000 2.855 2.389 4.480 . 0 0 "[ . 1 . 2]" 1
625 1 40 LYS H 1 41 VAL H 3.000 . 3.300 2.845 2.423 3.341 0.041 6 0 "[ . 1 . 2]" 1
626 1 41 VAL H 1 41 VAL HB 4.000 . 5.000 2.977 2.439 3.670 . 0 0 "[ . 1 . 2]" 1
627 1 41 VAL H 1 41 VAL MG1 4.000 . 6.500 3.441 1.948 3.965 . 0 0 "[ . 1 . 2]" 1
628 1 41 VAL H 1 41 VAL MG2 4.000 . 6.500 2.766 2.080 3.979 . 0 0 "[ . 1 . 2]" 1
629 1 41 VAL HA 1 42 SER H 4.000 . 5.000 3.297 2.158 3.648 . 0 0 "[ . 1 . 2]" 1
630 1 41 VAL HB 1 42 SER H 3.000 . 4.000 2.376 1.731 4.067 0.069 19 0 "[ . 1 . 2]" 1
631 1 41 VAL H 1 42 SER H 4.000 . 5.000 3.441 2.140 4.363 . 0 0 "[ . 1 . 2]" 1
632 1 41 VAL QG 1 42 SER H 3.000 . 5.700 2.320 1.692 3.724 . 0 0 "[ . 1 . 2]" 1
633 1 42 SER H 1 42 SER HB2 4.000 . 5.000 3.188 2.930 3.637 . 0 0 "[ . 1 . 2]" 1
634 1 42 SER HA 1 42 SER HB3 2.500 . 2.700 2.510 2.242 2.793 0.093 14 0 "[ . 1 . 2]" 1
635 1 42 SER HA 1 42 SER HB2 3.000 . 3.300 2.953 2.873 3.033 . 0 0 "[ . 1 . 2]" 1
636 1 42 SER HA 1 43 CYS H 2.500 . 2.700 2.717 2.394 2.864 0.164 4 0 "[ . 1 . 2]" 1
637 1 42 SER HB3 1 43 CYS H 4.000 . 5.000 2.152 1.763 2.883 0.037 11 0 "[ . 1 . 2]" 1
638 1 42 SER HB2 1 43 CYS H 4.000 . 5.000 2.941 1.929 3.827 . 0 0 "[ . 1 . 2]" 1
639 1 43 CYS H 1 43 CYS HB3 4.000 . 5.000 3.353 3.221 3.523 . 0 0 "[ . 1 . 2]" 1
640 1 43 CYS H 1 43 CYS HB2 4.000 . 5.000 2.144 2.068 2.265 . 0 0 "[ . 1 . 2]" 1
641 1 43 CYS HA 1 43 CYS HB3 3.000 . 3.300 2.797 2.673 2.872 . 0 0 "[ . 1 . 2]" 1
642 1 43 CYS HA 1 43 CYS HB2 3.000 . 3.300 2.918 2.844 2.997 . 0 0 "[ . 1 . 2]" 1
643 1 43 CYS HA 1 44 TYR H 2.500 . 2.700 2.450 2.151 2.708 0.008 5 0 "[ . 1 . 2]" 1
644 1 43 CYS QB 1 44 TYR H 4.000 . 6.000 2.658 2.036 3.736 . 0 0 "[ . 1 . 2]" 1
645 1 44 TYR H 1 44 TYR HB3 4.000 . 5.000 3.028 2.745 3.237 . 0 0 "[ . 1 . 2]" 1
646 1 44 TYR H 1 44 TYR HB2 4.000 . 5.000 3.049 2.295 3.403 . 0 0 "[ . 1 . 2]" 1
647 1 44 TYR HA 1 44 TYR HB2 3.000 . 3.300 2.602 2.512 2.655 . 0 0 "[ . 1 . 2]" 1
648 1 44 TYR HA 1 44 TYR QD 4.000 . 7.000 2.707 2.240 3.064 . 0 0 "[ . 1 . 2]" 1
649 1 44 TYR HA 1 44 TYR QE 4.000 . 7.000 4.367 4.148 4.572 . 0 0 "[ . 1 . 2]" 1
650 1 44 TYR HB3 1 44 TYR QD 2.500 . 4.700 2.408 2.297 2.578 . 0 0 "[ . 1 . 2]" 1
651 1 44 TYR HB2 1 44 TYR QD 2.500 . 4.700 2.444 2.307 2.622 . 0 0 "[ . 1 . 2]" 1
652 1 44 TYR HA 1 45 CYS H 3.000 . 3.300 2.207 2.178 2.237 . 0 0 "[ . 1 . 2]" 1
653 1 44 TYR QD 1 45 CYS H 4.000 . 7.000 3.602 3.080 4.002 . 0 0 "[ . 1 . 2]" 1
654 1 44 TYR QD 1 46 TYR HA 4.000 . 7.000 4.980 4.443 5.399 . 0 0 "[ . 1 . 2]" 1
655 1 44 TYR QE 1 46 TYR HA 4.000 . 7.000 4.487 3.543 4.991 . 0 0 "[ . 1 . 2]" 1
656 1 44 TYR QD 1 46 TYR QD 4.000 . 9.000 3.405 2.847 3.761 . 0 0 "[ . 1 . 2]" 1
657 1 44 TYR QD 1 46 TYR QE 3.000 . 7.300 2.214 2.047 2.395 . 0 0 "[ . 1 . 2]" 1
658 1 44 TYR QE 1 46 TYR QD 4.000 . 9.000 3.755 3.195 4.125 . 0 0 "[ . 1 . 2]" 1
659 1 44 TYR QE 1 46 TYR QE 3.000 . 7.300 2.776 2.383 3.329 . 0 0 "[ . 1 . 2]" 1
660 1 45 CYS H 1 45 CYS HA 3.000 . 3.300 2.980 2.953 2.997 . 0 0 "[ . 1 . 2]" 1
661 1 45 CYS H 1 45 CYS HB3 4.000 . 5.000 3.705 3.507 3.867 . 0 0 "[ . 1 . 2]" 1
662 1 45 CYS H 1 45 CYS HB2 3.000 . 3.300 2.526 2.372 2.828 . 0 0 "[ . 1 . 2]" 1
663 1 45 CYS HA 1 45 CYS HB3 2.500 . 2.700 2.499 2.383 2.709 0.009 18 0 "[ . 1 . 2]" 1
664 1 45 CYS HA 1 45 CYS HB2 3.000 . 3.300 3.018 2.933 3.032 . 0 0 "[ . 1 . 2]" 1
665 1 45 CYS HA 1 46 TYR H 2.500 . 2.700 2.454 2.395 2.520 . 0 0 "[ . 1 . 2]" 1
666 1 45 CYS HB3 1 46 TYR H 4.000 . 5.000 2.178 1.989 2.470 . 0 0 "[ . 1 . 2]" 1
667 1 45 CYS HB2 1 46 TYR H 3.000 . 3.300 3.401 3.290 3.594 0.294 18 0 "[ . 1 . 2]" 1
668 1 45 CYS HA 1 48 LEU MD1 4.000 . 6.100 4.535 4.272 4.704 . 0 0 "[ . 1 . 2]" 1
669 1 45 CYS HA 1 48 LEU MD2 4.000 . 6.100 4.697 4.236 4.977 . 0 0 "[ . 1 . 2]" 1
670 1 45 CYS HB3 1 48 LEU MD1 3.000 . 4.200 3.261 2.615 3.410 . 0 0 "[ . 1 . 2]" 1
671 1 45 CYS HB3 1 48 LEU MD2 3.000 . 4.200 2.675 1.898 3.054 . 0 0 "[ . 1 . 2]" 1
672 1 45 CYS HB2 1 48 LEU MD1 3.000 . 4.200 1.959 1.792 2.167 . 0 0 "[ . 1 . 2]" 1
673 1 45 CYS HB2 1 48 LEU MD2 3.000 . 4.200 2.602 2.091 2.917 . 0 0 "[ . 1 . 2]" 1
674 1 45 CYS HA 1 48 LEU HG 4.000 . 5.000 4.923 4.597 5.062 0.062 12 0 "[ . 1 . 2]" 1
675 1 45 CYS HB3 1 48 LEU HG 3.000 . 3.300 2.804 2.330 3.184 . 0 0 "[ . 1 . 2]" 1
676 1 45 CYS HB2 1 48 LEU HG 3.000 . 3.300 2.487 1.948 3.254 . 0 0 "[ . 1 . 2]" 1
677 1 46 TYR H 1 46 TYR HA 3.000 . 3.300 2.965 2.949 2.978 . 0 0 "[ . 1 . 2]" 1
678 1 46 TYR H 1 46 TYR HB3 4.000 . 5.000 3.831 3.774 3.896 . 0 0 "[ . 1 . 2]" 1
679 1 46 TYR H 1 46 TYR HB2 2.500 . 2.700 2.730 2.689 2.803 0.103 18 0 "[ . 1 . 2]" 1
680 1 46 TYR HA 1 46 TYR HB2 3.000 . 3.300 3.021 3.006 3.032 . 0 0 "[ . 1 . 2]" 1
681 1 46 TYR HA 1 46 TYR HB3 2.500 . 2.700 2.554 2.495 2.628 . 0 0 "[ . 1 . 2]" 1
682 1 46 TYR HA 1 47 GLY H 2.500 . 2.700 2.271 2.210 2.391 . 0 0 "[ . 1 . 2]" 1
683 1 46 TYR HB3 1 47 GLY H 4.000 . 5.000 3.915 3.699 4.170 . 0 0 "[ . 1 . 2]" 1
684 1 46 TYR HB2 1 47 GLY H 4.000 . 5.000 4.477 4.382 4.566 . 0 0 "[ . 1 . 2]" 1
685 1 46 TYR H 1 47 GLY H 4.000 . 5.000 3.745 3.316 3.956 . 0 0 "[ . 1 . 2]" 1
686 1 47 GLY H 1 47 GLY QA 2.500 . 3.700 2.434 2.398 2.488 . 0 0 "[ . 1 . 2]" 1
687 1 47 GLY QA 1 48 LEU H 2.500 . 3.700 2.892 2.766 2.945 . 0 0 "[ . 1 . 2]" 1
688 1 47 GLY H 1 48 LEU H 3.000 . 3.300 1.822 1.737 1.926 0.063 6 0 "[ . 1 . 2]" 1
689 1 48 LEU H 1 48 LEU HA 3.000 . 3.300 2.882 2.799 2.953 . 0 0 "[ . 1 . 2]" 1
690 1 48 LEU H 1 48 LEU QB 2.500 . 3.700 2.461 2.356 2.590 . 0 0 "[ . 1 . 2]" 1
691 1 48 LEU H 1 48 LEU HG 2.500 . 2.700 2.148 1.878 2.477 . 0 0 "[ . 1 . 2]" 1
692 1 48 LEU H 1 48 LEU QD 3.000 . 6.200 3.014 2.854 3.184 . 0 0 "[ . 1 . 2]" 1
693 1 48 LEU HA 1 48 LEU HG 3.000 . 3.300 2.968 2.660 3.257 . 0 0 "[ . 1 . 2]" 1
694 1 48 LEU HA 1 48 LEU QD 4.000 . 7.900 2.007 1.828 2.420 . 0 0 "[ . 1 . 2]" 1
695 1 48 LEU H 1 49 PRO QD 4.000 . 6.000 4.299 4.270 4.335 . 0 0 "[ . 1 . 2]" 1
696 1 48 LEU HA 1 49 PRO QD 3.000 . 4.300 1.971 1.884 2.100 . 0 0 "[ . 1 . 2]" 1
697 1 48 LEU QB 1 49 PRO QD 4.000 . 7.000 1.856 1.747 2.133 . 0 0 "[ . 1 . 2]" 1
698 1 48 LEU HG 1 49 PRO QD 4.000 . 6.000 4.114 3.796 4.336 . 0 0 "[ . 1 . 2]" 1
699 1 48 LEU MD1 1 49 PRO QD 3.000 . 5.200 3.685 3.395 3.855 . 0 0 "[ . 1 . 2]" 1
700 1 48 LEU MD2 1 49 PRO QD 3.000 . 5.200 2.435 1.972 2.973 . 0 0 "[ . 1 . 2]" 1
701 1 48 LEU QB 1 52 SER QB 4.000 . 7.000 2.425 2.161 2.806 . 0 0 "[ . 1 . 2]" 1
702 1 48 LEU HG 1 52 SER QB 4.000 . 6.000 5.061 4.771 5.320 . 0 0 "[ . 1 . 2]" 1
703 1 48 LEU MD1 1 52 SER QB 4.000 . 7.100 3.550 3.267 3.902 . 0 0 "[ . 1 . 2]" 1
704 1 48 LEU MD2 1 52 SER QB 4.000 . 7.100 3.810 3.253 4.697 . 0 0 "[ . 1 . 2]" 1
705 1 48 LEU QD 1 54 THR HA 4.000 . 7.900 4.750 4.400 5.365 . 0 0 "[ . 1 . 2]" 1
706 1 48 LEU QD 1 54 THR HB 4.000 . 7.900 4.278 3.703 5.187 . 0 0 "[ . 1 . 2]" 1
707 1 48 LEU QD 1 54 THR MG 3.000 . 6.500 2.505 1.889 3.241 . 0 0 "[ . 1 . 2]" 1
708 1 49 PRO HA 1 49 PRO QD 4.000 . 6.000 3.377 3.298 3.438 . 0 0 "[ . 1 . 2]" 1
709 1 49 PRO HA 1 50 ASP H 3.000 . 3.300 2.324 2.245 2.368 . 0 0 "[ . 1 . 2]" 1
710 1 49 PRO HB3 1 50 ASP H 4.000 . 5.000 3.422 3.255 3.525 . 0 0 "[ . 1 . 2]" 1
711 1 49 PRO HB2 1 50 ASP H 4.000 . 5.000 3.311 3.169 3.625 . 0 0 "[ . 1 . 2]" 1
712 1 49 PRO QG 1 50 ASP H 4.000 . 6.000 4.761 4.702 4.863 . 0 0 "[ . 1 . 2]" 1
713 1 49 PRO HA 1 51 ASN H 4.000 . 5.000 4.598 4.284 4.903 . 0 0 "[ . 1 . 2]" 1
714 1 49 PRO HB3 1 51 ASN H 4.000 . 5.000 4.388 4.023 4.640 . 0 0 "[ . 1 . 2]" 1
715 1 49 PRO HB2 1 51 ASN H 4.000 . 5.000 3.326 2.950 3.838 . 0 0 "[ . 1 . 2]" 1
716 1 49 PRO QB 1 51 ASN HA 4.000 . 6.000 5.046 4.841 5.201 . 0 0 "[ . 1 . 2]" 1
717 1 49 PRO QB 1 52 SER HB3 4.000 . 6.000 3.770 2.577 4.350 . 0 0 "[ . 1 . 2]" 1
718 1 49 PRO QB 1 52 SER HB2 4.000 . 6.000 2.570 2.126 3.137 . 0 0 "[ . 1 . 2]" 1
719 1 50 ASP H 1 50 ASP HA 2.500 . 2.700 2.795 2.773 2.814 0.114 14 0 "[ . 1 . 2]" 1
720 1 50 ASP H 1 50 ASP HB2 2.500 . 2.700 2.092 2.069 2.156 . 0 0 "[ . 1 . 2]" 1
721 1 50 ASP H 1 50 ASP HB3 3.000 . 3.300 3.405 3.366 3.474 0.174 17 0 "[ . 1 . 2]" 1
722 1 50 ASP HA 1 50 ASP HB2 3.000 . 3.300 2.913 2.877 2.969 . 0 0 "[ . 1 . 2]" 1
723 1 50 ASP HA 1 50 ASP HB3 2.500 . 2.700 2.750 2.673 2.791 0.091 18 0 "[ . 1 . 2]" 1
724 1 50 ASP HA 1 51 ASN H 3.000 . 3.300 3.524 3.490 3.535 0.235 1 0 "[ . 1 . 2]" 1
725 1 50 ASP HB2 1 51 ASN H 2.500 . 2.700 2.705 2.576 2.787 0.087 20 0 "[ . 1 . 2]" 1
726 1 50 ASP HB3 1 51 ASN H 3.000 . 3.300 2.669 2.334 3.136 . 0 0 "[ . 1 . 2]" 1
727 1 50 ASP H 1 51 ASN H 3.000 . 3.300 2.902 2.671 3.107 . 0 0 "[ . 1 . 2]" 1
728 1 50 ASP HA 1 52 SER H 3.500 2.300 3.800 3.756 3.632 3.828 0.028 6 0 "[ . 1 . 2]" 1
729 1 51 ASN H 1 51 ASN HA 2.500 . 2.700 2.864 2.837 2.892 0.192 14 0 "[ . 1 . 2]" 1
730 1 51 ASN H 1 51 ASN HB3 3.000 . 3.300 2.625 2.258 3.010 . 0 0 "[ . 1 . 2]" 1
731 1 51 ASN H 1 51 ASN HB2 3.000 . 3.300 3.542 3.521 3.568 0.268 1 0 "[ . 1 . 2]" 1
732 1 51 ASN HA 1 51 ASN HB3 2.500 . 2.700 2.451 2.323 2.666 . 0 0 "[ . 1 . 2]" 1
733 1 51 ASN HA 1 51 ASN HB2 2.500 . 2.700 2.469 2.279 2.617 . 0 0 "[ . 1 . 2]" 1
734 1 51 ASN HB3 1 51 ASN HD21 2.500 . 2.700 2.622 2.346 2.838 0.138 10 0 "[ . 1 . 2]" 1
735 1 51 ASN HB2 1 51 ASN HD21 2.500 . 2.700 2.665 2.399 2.890 0.190 14 0 "[ . 1 . 2]" 1
736 1 51 ASN H 1 52 SER H 2.500 . 2.700 2.684 2.560 2.790 0.090 14 0 "[ . 1 . 2]" 1
737 1 51 ASN HA 1 52 SER H 3.000 . 3.300 3.261 3.085 3.366 0.066 19 0 "[ . 1 . 2]" 1
738 1 51 ASN HB3 1 52 SER H 4.000 . 5.000 4.402 4.149 4.638 . 0 0 "[ . 1 . 2]" 1
739 1 51 ASN HB2 1 52 SER H 4.000 . 5.000 4.297 4.011 4.589 . 0 0 "[ . 1 . 2]" 1
740 1 52 SER H 1 52 SER QB 3.000 . 4.300 2.207 2.071 2.285 . 0 0 "[ . 1 . 2]" 1
741 1 52 SER HA 1 53 PRO QG 4.000 . 6.000 3.786 3.771 3.798 . 0 0 "[ . 1 . 2]" 1
742 1 52 SER HA 1 53 PRO QD 3.000 . 4.300 1.853 1.828 1.869 . 0 0 "[ . 1 . 2]" 1
743 1 52 SER QB 1 54 THR MG 4.000 . 7.100 2.965 2.245 3.839 . 0 0 "[ . 1 . 2]" 1
744 1 53 PRO HA 1 53 PRO QD 4.000 . 6.000 3.408 3.350 3.472 . 0 0 "[ . 1 . 2]" 1
745 1 53 PRO HA 1 54 THR H 3.000 . 3.300 2.261 2.210 2.390 . 0 0 "[ . 1 . 2]" 1
746 1 53 PRO QB 1 54 THR H 4.000 . 6.000 3.566 2.936 3.850 . 0 0 "[ . 1 . 2]" 1
747 1 53 PRO QB 1 54 THR MG 4.000 . 7.100 4.401 4.129 4.620 . 0 0 "[ . 1 . 2]" 1
748 1 53 PRO QG 1 54 THR MG 4.000 . 7.100 5.044 4.800 5.162 . 0 0 "[ . 1 . 2]" 1
749 1 53 PRO QD 1 54 THR MG 4.000 . 7.100 4.268 3.950 4.545 . 0 0 "[ . 1 . 2]" 1
750 1 54 THR H 1 54 THR HA 3.000 . 3.300 2.988 2.978 2.994 . 0 0 "[ . 1 . 2]" 1
751 1 54 THR H 1 54 THR MG 2.500 . 3.400 2.718 2.543 2.812 . 0 0 "[ . 1 . 2]" 1
752 1 54 THR HA 1 54 THR HB 2.500 . 2.700 2.443 2.391 2.496 . 0 0 "[ . 1 . 2]" 1
753 1 54 THR HA 1 54 THR MG 3.000 . 4.200 2.345 2.218 2.471 . 0 0 "[ . 1 . 2]" 1
754 1 54 THR HA 1 55 LYS H 2.500 . 2.700 2.487 2.376 2.625 . 0 0 "[ . 1 . 2]" 1
755 1 54 THR HB 1 55 LYS H 4.000 . 5.000 2.445 2.170 2.735 . 0 0 "[ . 1 . 2]" 1
756 1 54 THR MG 1 55 LYS H 4.000 . 6.100 3.814 3.686 4.050 . 0 0 "[ . 1 . 2]" 1
757 1 55 LYS H 1 55 LYS HA 2.500 . 2.700 2.757 2.728 2.824 0.124 6 0 "[ . 1 . 2]" 1
758 1 55 LYS HA 1 56 THR H 3.000 . 3.300 2.218 2.184 2.284 . 0 0 "[ . 1 . 2]" 1
759 1 55 LYS H 1 56 THR H 4.000 . 5.000 4.496 4.243 4.678 . 0 0 "[ . 1 . 2]" 1
760 1 55 LYS QD 1 56 THR H 4.000 . 6.000 2.721 1.909 4.101 . 0 0 "[ . 1 . 2]" 1
761 1 55 LYS QD 1 57 SER H 4.000 . 6.000 4.480 3.214 5.275 . 0 0 "[ . 1 . 2]" 1
762 1 56 THR H 1 56 THR MG 4.000 . 5.800 3.788 3.611 3.972 . 0 0 "[ . 1 . 2]" 1
763 1 56 THR HA 1 56 THR HB 3.000 . 3.300 3.012 2.928 3.032 . 0 0 "[ . 1 . 2]" 1
764 1 56 THR HA 1 56 THR MG 2.500 . 3.100 2.377 1.916 2.494 . 0 0 "[ . 1 . 2]" 1
765 1 56 THR H 1 57 SER H 4.000 . 5.000 3.105 2.421 4.393 . 0 0 "[ . 1 . 2]" 1
766 1 56 THR HA 1 57 SER H 2.500 . 2.700 3.401 2.783 3.525 0.825 19 17 "[* **** *******.**-+*]" 1
767 1 56 THR HB 1 57 SER H 2.500 . 2.700 1.988 1.832 2.505 . 0 0 "[ . 1 . 2]" 1
768 1 56 THR MG 1 57 SER H 2.500 . 3.200 2.271 1.828 2.618 . 0 0 "[ . 1 . 2]" 1
769 1 56 THR HB 1 58 GLY H 4.000 . 5.000 4.293 3.335 5.035 0.035 19 0 "[ . 1 . 2]" 1
770 1 56 THR MG 1 58 GLY H 4.000 . 6.100 4.574 4.180 5.025 . 0 0 "[ . 1 . 2]" 1
771 1 57 SER H 1 57 SER HA 2.500 . 2.700 2.901 2.823 2.952 0.252 20 0 "[ . 1 . 2]" 1
772 1 57 SER HA 1 57 SER HB3 2.500 . 2.700 2.411 2.264 2.654 . 0 0 "[ . 1 . 2]" 1
773 1 57 SER HA 1 57 SER HB2 2.500 . 2.700 2.551 2.306 2.742 0.042 8 0 "[ . 1 . 2]" 1
774 1 57 SER HA 1 58 GLY H 2.500 . 2.700 2.648 2.404 2.928 0.228 16 0 "[ . 1 . 2]" 1
775 1 57 SER QB 1 58 GLY H 4.000 . 6.000 4.008 3.892 4.092 . 0 0 "[ . 1 . 2]" 1
776 1 57 SER H 1 58 GLY H 4.000 . 5.000 2.957 2.424 4.017 . 0 0 "[ . 1 . 2]" 1
777 1 59 LYS H 1 59 LYS HA 3.000 . 3.300 2.968 2.888 2.994 . 0 0 "[ . 1 . 2]" 1
778 1 59 LYS H 1 60 CYS H 4.000 . 5.000 3.826 2.159 4.676 . 0 0 "[ . 1 . 2]" 1
779 1 60 CYS H 1 60 CYS HB3 4.000 . 5.000 2.987 2.290 3.793 . 0 0 "[ . 1 . 2]" 1
780 1 60 CYS H 1 60 CYS HB2 4.000 . 5.000 2.862 2.246 3.439 . 0 0 "[ . 1 . 2]" 1
781 1 60 CYS HA 1 60 CYS HB3 3.000 . 3.500 3.026 2.997 3.036 . 0 0 "[ . 1 . 2]" 1
782 1 60 CYS HA 1 60 CYS HB2 3.000 . 3.500 2.496 2.349 2.650 . 0 0 "[ . 1 . 2]" 1
783 1 60 CYS HA 1 61 ASN H 2.500 . 2.700 2.289 2.199 2.530 . 0 0 "[ . 1 . 2]" 1
784 1 60 CYS HB3 1 61 ASN H 4.000 . 5.000 4.232 3.145 4.549 . 0 0 "[ . 1 . 2]" 1
785 1 60 CYS HB2 1 61 ASN H 4.000 . 5.000 4.405 3.661 4.633 . 0 0 "[ . 1 . 2]" 1
786 1 60 CYS H 1 61 ASN H 4.000 . 5.000 4.091 3.343 4.681 . 0 0 "[ . 1 . 2]" 1
787 1 61 ASN H 1 61 ASN HA 3.000 . 3.300 2.954 2.877 2.996 . 0 0 "[ . 1 . 2]" 1
788 1 61 ASN H 1 61 ASN HB3 3.000 . 3.300 3.028 2.356 3.537 0.237 19 0 "[ . 1 . 2]" 1
789 1 61 ASN H 1 61 ASN HB2 3.000 . 3.300 2.895 2.081 3.601 0.301 7 0 "[ . 1 . 2]" 1
790 1 61 ASN HA 1 61 ASN HB3 3.000 . 3.300 2.832 2.297 3.033 . 0 0 "[ . 1 . 2]" 1
791 1 61 ASN HB3 1 61 ASN HD21 3.000 . 3.300 2.880 2.237 3.502 0.202 10 0 "[ . 1 . 2]" 1
792 1 61 ASN HB2 1 61 ASN HD21 3.000 . 3.300 2.695 2.238 3.355 0.055 1 0 "[ . 1 . 2]" 1
793 1 61 ASN HA 1 61 ASN HB2 3.000 . 3.300 2.665 2.345 2.995 . 0 0 "[ . 1 . 2]" 1
794 1 61 ASN HA 1 62 PRO HD3 2.500 . 2.700 2.150 1.933 2.561 . 0 0 "[ . 1 . 2]" 1
795 1 61 ASN HA 1 62 PRO HD2 2.500 . 2.700 2.200 1.930 2.653 . 0 0 "[ . 1 . 2]" 1
796 1 61 ASN HA 1 62 PRO QG 4.000 . 6.000 3.845 3.779 4.010 . 0 0 "[ . 1 . 2]" 1
797 1 62 PRO HA 1 63 ALA H 3.000 . 3.300 2.587 2.210 3.519 0.219 14 0 "[ . 1 . 2]" 1
798 1 63 ALA H 1 63 ALA MB 3.000 . 4.400 2.627 2.101 2.984 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 66
_Distance_constraint_stats_list.Viol_count 301
_Distance_constraint_stats_list.Viol_total 3493.937
_Distance_constraint_stats_list.Viol_max 5.464
_Distance_constraint_stats_list.Viol_rms 0.6521
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1323
_Distance_constraint_stats_list.Viol_average_violations_only 0.5804
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 148.283 5.464 11 20 [**********+-********]
1 2 LYS 13.395 1.665 18 6 "[ * . -*** . + 2]"
1 4 GLY 1.510 0.132 7 0 "[ . 1 . 2]"
1 5 TYR 0.213 0.055 7 0 "[ . 1 . 2]"
1 6 PRO 1.008 0.139 10 0 "[ . 1 . 2]"
1 7 VAL 0.600 0.084 10 0 "[ . 1 . 2]"
1 8 ASP 0.803 0.083 6 0 "[ . 1 . 2]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASN 0.102 0.047 6 0 "[ . 1 . 2]"
1 12 CYS 0.700 0.083 6 0 "[ . 1 . 2]"
1 14 TYR 1.039 0.139 10 0 "[ . 1 . 2]"
1 19 ASP 0.041 0.041 14 0 "[ . 1 . 2]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 TYR 0.109 0.061 11 0 "[ . 1 . 2]"
1 22 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ASN 0.041 0.041 14 0 "[ . 1 . 2]"
1 24 ASP 0.172 0.089 9 0 "[ . 1 . 2]"
1 25 LEU 1.620 0.157 5 0 "[ . 1 . 2]"
1 26 CYS 0.097 0.068 10 0 "[ . 1 . 2]"
1 27 LEU 0.034 0.018 17 0 "[ . 1 . 2]"
1 28 GLU 0.172 0.089 9 0 "[ . 1 . 2]"
1 29 ARG 1.511 0.157 5 0 "[ . 1 . 2]"
1 30 LYS 0.034 0.018 17 0 "[ . 1 . 2]"
1 31 ALA 0.097 0.068 10 0 "[ . 1 . 2]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 2.665 0.144 3 0 "[ . 1 . 2]"
1 35 TYR 0.587 0.089 4 0 "[ . 1 . 2]"
1 37 TYR 3.065 0.274 13 0 "[ . 1 . 2]"
1 38 TRP 0.573 0.101 14 0 "[ . 1 . 2]"
1 41 VAL 0.573 0.101 14 0 "[ . 1 . 2]"
1 42 SER 3.065 0.274 13 0 "[ . 1 . 2]"
1 43 CYS 0.031 0.018 1 0 "[ . 1 . 2]"
1 44 TYR 0.587 0.089 4 0 "[ . 1 . 2]"
1 45 CYS 1.510 0.132 7 0 "[ . 1 . 2]"
1 46 TYR 2.665 0.144 3 0 "[ . 1 . 2]"
1 48 LEU 0.174 0.048 9 0 "[ . 1 . 2]"
1 49 PRO 13.220 1.665 18 6 "[ * . -*** . + 2]"
1 50 ASP 148.283 5.464 11 20 [**********+-********]
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 PRO 0.600 0.084 10 0 "[ . 1 . 2]"
1 55 LYS 0.213 0.055 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LYS H 1 48 LEU O 2.100 . 2.300 2.129 2.030 2.285 . 0 0 "[ . 1 . 2]" 2
2 1 2 LYS N 1 48 LEU O 3.100 2.500 3.300 2.918 2.534 3.113 . 0 0 "[ . 1 . 2]" 2
3 1 2 LYS O 1 48 LEU H 2.100 . 2.300 2.248 2.085 2.348 0.048 9 0 "[ . 1 . 2]" 2
4 1 2 LYS O 1 48 LEU N 3.100 2.500 3.300 2.998 2.864 3.138 . 0 0 "[ . 1 . 2]" 2
5 1 4 GLY H 1 45 CYS O 2.100 . 2.300 2.358 2.313 2.432 0.132 7 0 "[ . 1 . 2]" 2
6 1 4 GLY N 1 45 CYS O 3.100 2.500 3.300 3.237 3.115 3.343 0.043 7 0 "[ . 1 . 2]" 2
7 1 4 GLY O 1 45 CYS H 2.100 . 2.300 2.265 2.117 2.368 0.068 19 0 "[ . 1 . 2]" 2
8 1 4 GLY O 1 45 CYS N 3.100 2.500 3.300 3.194 3.005 3.327 0.027 19 0 "[ . 1 . 2]" 2
9 1 33 LYS H 1 46 TYR O 2.100 . 2.300 2.384 2.339 2.444 0.144 3 0 "[ . 1 . 2]" 2
10 1 33 LYS N 1 46 TYR O 3.100 2.500 3.300 3.347 3.306 3.398 0.098 20 0 "[ . 1 . 2]" 2
11 1 33 LYS O 1 46 TYR H 2.100 . 2.300 2.114 1.981 2.321 0.021 18 0 "[ . 1 . 2]" 2
12 1 33 LYS O 1 46 TYR N 3.100 2.500 3.300 2.598 2.491 2.801 0.009 2 0 "[ . 1 . 2]" 2
13 1 35 TYR H 1 44 TYR O 2.100 . 2.300 2.296 2.098 2.389 0.089 4 0 "[ . 1 . 2]" 2
14 1 35 TYR N 1 44 TYR O 3.100 2.500 3.300 2.819 2.629 3.011 . 0 0 "[ . 1 . 2]" 2
15 1 35 TYR O 1 44 TYR H 2.100 . 2.300 2.072 2.000 2.287 . 0 0 "[ . 1 . 2]" 2
16 1 35 TYR O 1 44 TYR N 3.100 2.500 3.300 2.753 2.534 2.938 . 0 0 "[ . 1 . 2]" 2
17 1 32 ASP H 1 46 TYR O 2.100 . 2.300 2.065 1.997 2.154 . 0 0 "[ . 1 . 2]" 2
18 1 32 ASP N 1 46 TYR O 3.100 2.500 3.300 2.829 2.591 3.012 . 0 0 "[ . 1 . 2]" 2
19 1 37 TYR O 1 42 SER H 2.100 . 2.300 2.430 2.310 2.574 0.274 13 0 "[ . 1 . 2]" 2
20 1 37 TYR O 1 42 SER N 3.100 2.500 3.300 3.184 2.982 3.330 0.030 19 0 "[ . 1 . 2]" 2
21 1 37 TYR H 1 42 SER O 2.100 . 2.300 2.277 2.040 2.398 0.098 8 0 "[ . 1 . 2]" 2
22 1 37 TYR N 1 42 SER O 3.100 2.500 3.300 2.975 2.755 3.241 . 0 0 "[ . 1 . 2]" 2
23 1 19 ASP O 1 23 ASN H 2.100 . 2.300 2.159 2.071 2.341 0.041 14 0 "[ . 1 . 2]" 2
24 1 19 ASP O 1 23 ASN N 3.100 2.500 3.300 3.086 2.928 3.244 . 0 0 "[ . 1 . 2]" 2
25 1 20 ASP O 1 24 ASP H 2.100 . 2.300 2.063 1.953 2.177 . 0 0 "[ . 1 . 2]" 2
26 1 20 ASP O 1 24 ASP N 3.100 2.500 3.300 2.986 2.887 3.117 . 0 0 "[ . 1 . 2]" 2
27 1 21 TYR O 1 25 LEU H 2.100 . 2.300 2.209 2.047 2.361 0.061 11 0 "[ . 1 . 2]" 2
28 1 21 TYR O 1 25 LEU N 3.100 2.500 3.300 3.028 2.857 3.206 . 0 0 "[ . 1 . 2]" 2
29 1 22 CYS O 1 26 CYS H 2.100 . 2.300 1.989 1.780 2.280 . 0 0 "[ . 1 . 2]" 2
30 1 22 CYS O 1 26 CYS N 3.100 2.500 3.300 2.750 2.551 3.020 . 0 0 "[ . 1 . 2]" 2
31 1 23 ASN O 1 27 LEU H 2.100 . 2.300 1.993 1.918 2.130 . 0 0 "[ . 1 . 2]" 2
32 1 23 ASN O 1 27 LEU N 3.100 2.500 3.300 2.864 2.786 2.945 . 0 0 "[ . 1 . 2]" 2
33 1 24 ASP O 1 28 GLU H 2.100 . 2.300 2.206 2.074 2.389 0.089 9 0 "[ . 1 . 2]" 2
34 1 24 ASP O 1 28 GLU N 3.100 2.500 3.300 3.127 3.002 3.295 . 0 0 "[ . 1 . 2]" 2
35 1 25 LEU O 1 29 ARG H 2.100 . 2.300 2.358 2.191 2.457 0.157 5 0 "[ . 1 . 2]" 2
36 1 25 LEU O 1 29 ARG N 3.100 2.500 3.300 3.219 3.036 3.352 0.052 20 0 "[ . 1 . 2]" 2
37 1 27 LEU O 1 30 LYS H 2.100 . 2.300 2.154 2.040 2.318 0.018 17 0 "[ . 1 . 2]" 2
38 1 27 LEU O 1 30 LYS N 3.100 2.500 3.300 2.961 2.640 3.161 . 0 0 "[ . 1 . 2]" 2
39 1 26 CYS O 1 31 ALA H 2.100 . 2.300 2.150 1.983 2.368 0.068 10 0 "[ . 1 . 2]" 2
40 1 26 CYS O 1 31 ALA N 3.100 2.500 3.300 2.906 2.718 3.098 . 0 0 "[ . 1 . 2]" 2
41 1 49 PRO O 1 52 SER H 2.100 . 2.300 2.096 2.048 2.278 . 0 0 "[ . 1 . 2]" 2
42 1 49 PRO O 1 52 SER N 3.100 2.500 3.300 2.943 2.795 3.150 . 0 0 "[ . 1 . 2]" 2
43 1 38 TRP O 1 41 VAL H 2.100 . 2.300 2.207 2.050 2.401 0.101 14 0 "[ . 1 . 2]" 2
44 1 38 TRP O 1 41 VAL N 3.100 2.500 3.300 2.766 2.493 3.283 0.007 15 0 "[ . 1 . 2]" 2
45 1 8 ASP OD1 1 10 GLY H 2.100 . 2.300 2.131 2.060 2.298 . 0 0 "[ . 1 . 2]" 2
46 1 8 ASP OD1 1 10 GLY N 3.100 2.500 3.300 2.903 2.599 3.164 . 0 0 "[ . 1 . 2]" 2
47 1 8 ASP OD1 1 12 CYS H 2.100 . 2.300 2.102 2.022 2.295 . 0 0 "[ . 1 . 2]" 2
48 1 8 ASP OD1 1 12 CYS N 3.100 2.500 3.300 2.940 2.732 3.193 . 0 0 "[ . 1 . 2]" 2
49 1 8 ASP O 1 11 ASN H 2.100 . 2.300 2.193 2.090 2.347 0.047 6 0 "[ . 1 . 2]" 2
50 1 8 ASP O 1 11 ASN N 3.100 2.500 3.300 3.144 3.009 3.309 0.009 6 0 "[ . 1 . 2]" 2
51 1 8 ASP H 1 12 CYS O 2.100 . 2.300 2.309 2.135 2.383 0.083 6 0 "[ . 1 . 2]" 2
52 1 8 ASP N 1 12 CYS O 3.100 2.500 3.300 3.213 2.992 3.299 . 0 0 "[ . 1 . 2]" 2
53 1 7 VAL H 1 53 PRO O 2.100 . 2.300 2.295 2.100 2.384 0.084 10 0 "[ . 1 . 2]" 2
54 1 7 VAL N 1 53 PRO O 3.100 2.500 3.300 3.214 2.937 3.304 0.004 9 0 "[ . 1 . 2]" 2
55 1 6 PRO O 1 14 TYR H 2.100 . 2.300 2.321 2.087 2.439 0.139 10 0 "[ . 1 . 2]" 2
56 1 6 PRO O 1 14 TYR N 3.100 2.500 3.300 3.243 2.985 3.367 0.067 20 0 "[ . 1 . 2]" 2
57 1 5 TYR O 1 55 LYS H 2.100 . 2.300 2.218 2.027 2.355 0.055 7 0 "[ . 1 . 2]" 2
58 1 5 TYR O 1 55 LYS N 3.100 2.500 3.300 3.124 2.929 3.290 . 0 0 "[ . 1 . 2]" 2
59 1 14 TYR O 1 43 CYS H 2.100 . 2.300 2.136 1.999 2.318 0.018 1 0 "[ . 1 . 2]" 2
60 1 14 TYR O 1 43 CYS N 3.100 2.500 3.300 3.049 2.841 3.243 . 0 0 "[ . 1 . 2]" 2
61 1 11 ASN O 1 55 LYS QZ 2.100 . 2.300 2.170 1.996 2.279 . 0 0 "[ . 1 . 2]" 2
62 1 11 ASN O 1 55 LYS NZ 3.100 2.500 3.300 3.036 2.767 3.248 . 0 0 "[ . 1 . 2]" 2
63 1 2 LYS QZ 1 49 PRO O 2.100 . 2.300 2.628 1.982 3.965 1.665 18 6 "[ * . -*** . + 2]" 2
64 1 2 LYS NZ 1 49 PRO O 3.100 2.500 3.300 3.424 2.692 4.656 1.356 18 4 "[ - . ** . + 2]" 2
65 1 1 LYS H1 1 50 ASP O 2.100 . 2.300 6.460 5.331 7.764 5.464 11 20 [**********+-********] 2
66 1 1 LYS N 1 50 ASP O 3.100 2.500 3.300 6.554 5.874 7.467 4.167 13 20 [***********-+*******] 2
stop_
save_
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