NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
374513 |
1efe   |
cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1efe
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 510
_Distance_constraint_stats_list.Viol_count 1049
_Distance_constraint_stats_list.Viol_total 2816.571
_Distance_constraint_stats_list.Viol_max 0.451
_Distance_constraint_stats_list.Viol_rms 0.0509
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0138
_Distance_constraint_stats_list.Viol_average_violations_only 0.1343
_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 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 VAL 11.853 0.268 15 0 "[ . 1 . 2]"
1 3 ASN 0.962 0.157 10 0 "[ . 1 . 2]"
1 4 GLN 6.136 0.251 14 0 "[ . 1 . 2]"
1 5 HIS 3.826 0.215 8 0 "[ . 1 . 2]"
1 6 LEU 6.448 0.293 3 0 "[ . 1 . 2]"
1 7 CYS 0.623 0.293 3 0 "[ . 1 . 2]"
1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 SER 0.512 0.088 20 0 "[ . 1 . 2]"
1 10 HIS 1.221 0.092 13 0 "[ . 1 . 2]"
1 11 LEU 2.230 0.155 8 0 "[ . 1 . 2]"
1 12 VAL 3.156 0.229 1 0 "[ . 1 . 2]"
1 13 GLU 6.378 0.145 10 0 "[ . 1 . 2]"
1 14 ALA 3.971 0.158 1 0 "[ . 1 . 2]"
1 15 LEU 0.869 0.178 18 0 "[ . 1 . 2]"
1 16 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LEU 9.357 0.307 12 0 "[ . 1 . 2]"
1 18 VAL 8.383 0.312 11 0 "[ . 1 . 2]"
1 19 CYS 8.576 0.316 8 0 "[ . 1 . 2]"
1 20 GLY 3.244 0.243 4 0 "[ . 1 . 2]"
1 21 GLU 4.768 0.279 4 0 "[ . 1 . 2]"
1 22 ARG 5.117 0.277 13 0 "[ . 1 . 2]"
1 23 GLY 0.603 0.264 9 0 "[ . 1 . 2]"
1 24 PHE 0.646 0.229 1 0 "[ . 1 . 2]"
1 25 PHE 5.490 0.275 6 0 "[ . 1 . 2]"
1 26 TYR 0.788 0.182 4 0 "[ . 1 . 2]"
1 27 THR 5.888 0.275 6 0 "[ . 1 . 2]"
1 28 PRO 0.753 0.133 8 0 "[ . 1 . 2]"
1 29 LYS 3.995 0.207 19 0 "[ . 1 . 2]"
1 30 THR 3.568 0.403 5 0 "[ . 1 . 2]"
1 31 ARG 3.999 0.250 9 0 "[ . 1 . 2]"
1 32 ARG 4.913 0.268 18 0 "[ . 1 . 2]"
1 33 TYR 3.143 0.301 10 0 "[ . 1 . 2]"
1 34 PRO 0.334 0.084 7 0 "[ . 1 . 2]"
1 35 GLY 0.946 0.357 4 0 "[ . 1 . 2]"
1 36 ASP 2.487 0.357 4 0 "[ . 1 . 2]"
1 37 VAL 2.608 0.345 8 0 "[ . 1 . 2]"
1 38 LYS 0.078 0.040 16 0 "[ . 1 . 2]"
1 39 ARG 7.431 0.451 17 0 "[ . 1 . 2]"
1 40 GLY 0.825 0.070 13 0 "[ . 1 . 2]"
1 41 ILE 2.691 0.198 11 0 "[ . 1 . 2]"
1 42 VAL 6.009 0.317 10 0 "[ . 1 . 2]"
1 43 GLU 6.945 0.451 17 0 "[ . 1 . 2]"
1 44 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 CYS 1.246 0.279 20 0 "[ . 1 . 2]"
1 47 THR 0.535 0.170 6 0 "[ . 1 . 2]"
1 48 SER 0.140 0.105 6 0 "[ . 1 . 2]"
1 49 ILE 0.518 0.130 4 0 "[ . 1 . 2]"
1 50 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 SER 0.863 0.050 3 0 "[ . 1 . 2]"
1 52 LEU 2.862 0.139 14 0 "[ . 1 . 2]"
1 53 TYR 6.578 0.314 2 0 "[ . 1 . 2]"
1 54 GLN 0.017 0.017 6 0 "[ . 1 . 2]"
1 55 LEU 1.987 0.086 5 0 "[ . 1 . 2]"
1 56 GLU 1.654 0.071 2 0 "[ . 1 . 2]"
1 57 ASN 0.579 0.070 6 0 "[ . 1 . 2]"
1 58 TYR 3.862 0.297 5 0 "[ . 1 . 2]"
1 59 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASN 3.862 0.297 5 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 PHE HA 1 1 PHE QD 4.000 . 7.200 2.885 2.365 3.023 . 0 0 "[ . 1 . 2]" 1
2 1 1 PHE HA 1 2 VAL H 2.400 . 2.700 2.260 2.215 2.336 . 0 0 "[ . 1 . 2]" 1
3 1 1 PHE QE 1 3 ASN HA 4.000 . 7.200 5.349 4.088 6.860 . 0 0 "[ . 1 . 2]" 1
4 1 2 VAL H 1 2 VAL HA 2.400 . 2.700 2.959 2.874 2.968 0.268 15 0 "[ . 1 . 2]" 1
5 1 2 VAL H 1 2 VAL HB 3.000 . 3.500 3.714 3.539 3.732 0.232 2 0 "[ . 1 . 2]" 1
6 1 2 VAL H 1 2 VAL QG 3.000 . 6.800 1.987 1.898 2.075 . 0 0 "[ . 1 . 2]" 1
7 1 2 VAL H 1 4 GLN QG 4.000 . 6.000 6.120 6.006 6.251 0.251 14 0 "[ . 1 . 2]" 1
8 1 2 VAL HA 1 2 VAL HB 2.400 . 2.700 2.484 2.474 2.501 . 0 0 "[ . 1 . 2]" 1
9 1 2 VAL HA 1 2 VAL QG 2.400 . 6.000 2.273 2.216 2.343 . 0 0 "[ . 1 . 2]" 1
10 1 2 VAL HA 1 3 ASN H 2.400 . 2.700 2.381 2.211 2.584 . 0 0 "[ . 1 . 2]" 1
11 1 2 VAL HB 1 3 ASN H 4.000 . 5.000 2.696 2.241 3.133 . 0 0 "[ . 1 . 2]" 1
12 1 2 VAL QG 1 3 ASN H 3.000 . 6.800 3.297 3.072 3.511 . 0 0 "[ . 1 . 2]" 1
13 1 3 ASN H 1 3 ASN HA 3.000 . 3.500 2.951 2.926 2.968 . 0 0 "[ . 1 . 2]" 1
14 1 3 ASN H 1 3 ASN QB 2.400 . 3.700 2.719 2.652 3.159 . 0 0 "[ . 1 . 2]" 1
15 1 3 ASN H 1 4 GLN H 3.000 . 3.500 3.163 2.195 3.632 0.132 19 0 "[ . 1 . 2]" 1
16 1 3 ASN HA 1 4 GLN H 2.400 . 2.700 2.456 2.247 2.857 0.157 10 0 "[ . 1 . 2]" 1
17 1 3 ASN QB 1 4 GLN H 3.000 . 4.500 3.980 3.790 4.050 . 0 0 "[ . 1 . 2]" 1
18 1 3 ASN QB 1 49 ILE QG 4.000 . 7.000 4.234 2.487 5.386 . 0 0 "[ . 1 . 2]" 1
19 1 4 GLN H 1 4 GLN HA 3.000 . 3.500 2.939 2.915 2.980 . 0 0 "[ . 1 . 2]" 1
20 1 4 GLN H 1 4 GLN HB2 3.000 . 3.500 2.478 2.302 2.815 . 0 0 "[ . 1 . 2]" 1
21 1 4 GLN H 1 4 GLN HB3 4.000 . 5.000 3.619 3.533 3.893 . 0 0 "[ . 1 . 2]" 1
22 1 4 GLN H 1 4 GLN HG2 4.000 . 5.000 3.107 2.001 3.985 . 0 0 "[ . 1 . 2]" 1
23 1 4 GLN H 1 5 HIS H 4.000 . 5.000 4.575 4.406 4.642 . 0 0 "[ . 1 . 2]" 1
24 1 4 GLN H 1 49 ILE QG 4.000 . 6.000 4.829 3.606 5.869 . 0 0 "[ . 1 . 2]" 1
25 1 4 GLN HA 1 4 GLN HB2 3.000 . 3.500 3.034 3.029 3.041 . 0 0 "[ . 1 . 2]" 1
26 1 4 GLN HA 1 4 GLN HB3 2.400 . 2.700 2.466 2.444 2.509 . 0 0 "[ . 1 . 2]" 1
27 1 4 GLN HA 1 5 HIS H 3.000 . 3.500 2.425 2.339 2.663 . 0 0 "[ . 1 . 2]" 1
28 1 4 GLN HA 1 49 ILE MD 3.000 . 5.000 4.567 3.547 5.088 0.088 8 0 "[ . 1 . 2]" 1
29 1 4 GLN HB2 1 5 HIS H 3.000 . 3.500 3.608 3.249 3.715 0.215 8 0 "[ . 1 . 2]" 1
30 1 4 GLN HB3 1 5 HIS H 3.000 . 3.500 2.570 2.122 2.740 . 0 0 "[ . 1 . 2]" 1
31 1 4 GLN HB3 1 5 HIS HA 4.000 . 5.000 4.939 4.768 5.031 0.031 4 0 "[ . 1 . 2]" 1
32 1 4 GLN QG 1 6 LEU QD 4.000 . 9.300 5.956 5.233 6.535 . 0 0 "[ . 1 . 2]" 1
33 1 5 HIS H 1 5 HIS HA 3.000 . 3.500 2.917 2.896 2.932 . 0 0 "[ . 1 . 2]" 1
34 1 5 HIS H 1 5 HIS HB2 3.000 . 3.500 2.342 2.131 3.577 0.077 6 0 "[ . 1 . 2]" 1
35 1 5 HIS H 1 5 HIS HB3 3.000 . 3.500 3.491 2.864 3.545 0.045 4 0 "[ . 1 . 2]" 1
36 1 5 HIS H 1 5 HIS HD2 4.000 . 5.000 2.808 2.231 3.933 . 0 0 "[ . 1 . 2]" 1
37 1 5 HIS HA 1 6 LEU QD 4.000 . 8.300 4.096 2.625 4.629 . 0 0 "[ . 1 . 2]" 1
38 1 5 HIS HA 1 6 LEU HG 4.000 . 5.000 4.057 3.611 5.071 0.071 3 0 "[ . 1 . 2]" 1
39 1 5 HIS HA 1 49 ILE MD 4.000 . 6.500 4.471 3.606 5.171 . 0 0 "[ . 1 . 2]" 1
40 1 5 HIS QB 1 6 LEU H 4.000 . 6.000 2.992 2.583 3.400 . 0 0 "[ . 1 . 2]" 1
41 1 5 HIS QB 1 47 THR H 4.000 . 6.000 5.497 4.776 6.170 0.170 6 0 "[ . 1 . 2]" 1
42 1 5 HIS HB2 1 5 HIS HD2 4.000 . 6.000 3.020 2.748 3.904 . 0 0 "[ . 1 . 2]" 1
43 1 5 HIS HB2 1 7 CYS H 4.000 . 6.000 4.471 3.235 5.172 . 0 0 "[ . 1 . 2]" 1
44 1 5 HIS HD2 1 49 ILE MD 4.000 . 6.500 4.764 3.038 6.545 0.045 6 0 "[ . 1 . 2]" 1
45 1 5 HIS HE1 1 48 SER HA 3.000 . 3.500 3.095 2.415 3.605 0.105 6 0 "[ . 1 . 2]" 1
46 1 5 HIS HE1 1 49 ILE MD 4.000 . 6.500 3.871 2.986 5.193 . 0 0 "[ . 1 . 2]" 1
47 1 5 HIS HE1 1 49 ILE QG 4.000 . 6.000 2.771 1.968 4.442 . 0 0 "[ . 1 . 2]" 1
48 1 6 LEU H 1 6 LEU HA 2.400 . 2.700 2.925 2.868 2.967 0.267 10 0 "[ . 1 . 2]" 1
49 1 6 LEU HA 1 6 LEU HB2 3.000 . 3.500 3.017 2.990 3.031 . 0 0 "[ . 1 . 2]" 1
50 1 6 LEU HA 1 6 LEU HB3 3.000 . 3.500 2.578 2.499 2.663 . 0 0 "[ . 1 . 2]" 1
51 1 6 LEU HA 1 6 LEU MD1 2.400 . 4.200 3.670 2.826 3.821 . 0 0 "[ . 1 . 2]" 1
52 1 6 LEU HA 1 6 LEU MD2 3.000 . 5.000 2.330 1.954 3.617 . 0 0 "[ . 1 . 2]" 1
53 1 6 LEU HA 1 6 LEU HG 3.000 . 3.500 2.603 2.092 2.916 . 0 0 "[ . 1 . 2]" 1
54 1 6 LEU HA 1 7 CYS H 3.000 . 3.500 2.416 2.209 3.332 . 0 0 "[ . 1 . 2]" 1
55 1 6 LEU HB2 1 6 LEU QD 3.000 . 6.800 2.150 1.967 2.311 . 0 0 "[ . 1 . 2]" 1
56 1 6 LEU HB2 1 11 LEU HA 4.000 . 5.000 4.528 3.846 5.097 0.097 3 0 "[ . 1 . 2]" 1
57 1 6 LEU HB2 1 45 CYS HB3 4.000 . 5.000 2.856 2.015 4.993 . 0 0 "[ . 1 . 2]" 1
58 1 6 LEU HB3 1 6 LEU QD 3.000 . 6.800 2.074 1.956 2.227 . 0 0 "[ . 1 . 2]" 1
59 1 6 LEU HB3 1 6 LEU HG 3.000 . 3.500 2.958 2.548 3.034 . 0 0 "[ . 1 . 2]" 1
60 1 6 LEU HB3 1 11 LEU HA 4.000 . 5.000 2.882 2.174 3.587 . 0 0 "[ . 1 . 2]" 1
61 1 6 LEU QD 1 10 HIS QB 3.000 . 7.800 3.726 2.653 4.860 . 0 0 "[ . 1 . 2]" 1
62 1 6 LEU QD 1 11 LEU HA 3.000 . 6.800 2.811 2.030 4.593 . 0 0 "[ . 1 . 2]" 1
63 1 6 LEU MD2 1 7 CYS H 3.000 . 5.000 4.170 3.578 5.293 0.293 3 0 "[ . 1 . 2]" 1
64 1 6 LEU HG 1 11 LEU HA 4.000 . 5.000 4.961 3.481 5.126 0.126 3 0 "[ . 1 . 2]" 1
65 1 7 CYS H 1 7 CYS HA 3.000 . 3.500 2.971 2.945 2.983 . 0 0 "[ . 1 . 2]" 1
66 1 7 CYS H 1 7 CYS QB 3.000 . 4.500 2.581 2.033 2.708 . 0 0 "[ . 1 . 2]" 1
67 1 7 CYS HA 1 8 GLY H 3.000 . 3.500 2.623 2.498 2.812 . 0 0 "[ . 1 . 2]" 1
68 1 7 CYS QB 1 46 CYS H 4.000 . 6.000 4.577 3.249 5.132 . 0 0 "[ . 1 . 2]" 1
69 1 8 GLY QA 1 9 SER H 2.400 . 3.700 2.210 2.188 2.262 . 0 0 "[ . 1 . 2]" 1
70 1 9 SER H 1 9 SER QB 2.400 . 3.700 2.276 2.140 2.402 . 0 0 "[ . 1 . 2]" 1
71 1 9 SER H 1 10 HIS H 4.000 . 5.000 2.552 2.487 2.622 . 0 0 "[ . 1 . 2]" 1
72 1 9 SER HA 1 9 SER QB 2.400 . 3.700 2.350 2.201 2.462 . 0 0 "[ . 1 . 2]" 1
73 1 9 SER HA 1 10 HIS H 3.000 . 3.500 3.517 3.494 3.550 0.050 3 0 "[ . 1 . 2]" 1
74 1 9 SER HA 1 12 VAL H 4.000 . 5.000 3.648 3.376 3.815 . 0 0 "[ . 1 . 2]" 1
75 1 9 SER HA 1 12 VAL HB 3.000 . 3.500 3.343 3.011 3.588 0.088 20 0 "[ . 1 . 2]" 1
76 1 9 SER HA 1 12 VAL QG 2.400 . 6.000 3.173 2.331 3.505 . 0 0 "[ . 1 . 2]" 1
77 1 9 SER QB 1 10 HIS H 4.000 . 6.000 2.927 2.570 3.555 . 0 0 "[ . 1 . 2]" 1
78 1 10 HIS H 1 10 HIS HA 3.000 . 3.500 2.855 2.844 2.871 . 0 0 "[ . 1 . 2]" 1
79 1 10 HIS H 1 10 HIS QB 3.000 . 4.500 2.189 2.057 2.292 . 0 0 "[ . 1 . 2]" 1
80 1 10 HIS H 1 11 LEU H 2.400 . 2.700 2.739 2.614 2.792 0.092 13 0 "[ . 1 . 2]" 1
81 1 10 HIS HA 1 10 HIS QB 2.400 . 3.700 2.417 2.376 2.486 . 0 0 "[ . 1 . 2]" 1
82 1 10 HIS HA 1 10 HIS HD2 4.000 . 5.000 4.029 2.184 4.750 . 0 0 "[ . 1 . 2]" 1
83 1 10 HIS HA 1 11 LEU H 4.000 . 5.000 3.558 3.512 3.579 . 0 0 "[ . 1 . 2]" 1
84 1 10 HIS HA 1 13 GLU QB 3.000 . 4.500 2.654 2.347 2.991 . 0 0 "[ . 1 . 2]" 1
85 1 10 HIS HB2 1 10 HIS HD2 4.000 . 5.000 3.650 2.842 3.967 . 0 0 "[ . 1 . 2]" 1
86 1 10 HIS HB3 1 10 HIS HD2 4.000 . 5.000 3.008 2.754 3.967 . 0 0 "[ . 1 . 2]" 1
87 1 11 LEU H 1 11 LEU HA 3.000 . 3.500 2.849 2.845 2.856 . 0 0 "[ . 1 . 2]" 1
88 1 11 LEU H 1 11 LEU HB2 3.000 . 3.500 2.451 2.416 2.533 . 0 0 "[ . 1 . 2]" 1
89 1 11 LEU H 1 11 LEU HB3 3.000 . 3.500 2.438 2.339 2.473 . 0 0 "[ . 1 . 2]" 1
90 1 11 LEU HA 1 11 LEU HB2 3.000 . 3.500 2.460 2.422 2.474 . 0 0 "[ . 1 . 2]" 1
91 1 11 LEU HA 1 11 LEU HB3 3.000 . 3.500 3.039 3.034 3.043 . 0 0 "[ . 1 . 2]" 1
92 1 11 LEU HA 1 11 LEU QD 3.000 . 6.800 2.206 1.931 3.073 . 0 0 "[ . 1 . 2]" 1
93 1 11 LEU HA 1 11 LEU HG 3.000 . 3.500 2.952 2.365 3.655 0.155 8 0 "[ . 1 . 2]" 1
94 1 11 LEU HA 1 14 ALA MB 3.000 . 5.000 2.697 2.359 3.241 . 0 0 "[ . 1 . 2]" 1
95 1 11 LEU HB3 1 12 VAL H 4.000 . 6.000 2.424 2.267 2.549 . 0 0 "[ . 1 . 2]" 1
96 1 11 LEU QD 1 14 ALA MB 2.400 . 7.500 3.361 2.639 4.466 . 0 0 "[ . 1 . 2]" 1
97 1 11 LEU QD 1 15 LEU H 4.000 . 8.300 4.000 3.342 4.426 . 0 0 "[ . 1 . 2]" 1
98 1 11 LEU QD 1 42 VAL HA 4.000 . 8.300 2.981 1.828 4.015 . 0 0 "[ . 1 . 2]" 1
99 1 11 LEU HG 1 15 LEU QD 3.000 . 6.800 2.539 1.930 4.074 . 0 0 "[ . 1 . 2]" 1
100 1 12 VAL H 1 12 VAL HA 3.000 . 3.500 2.864 2.850 2.879 . 0 0 "[ . 1 . 2]" 1
101 1 12 VAL H 1 12 VAL HB 3.000 . 3.500 2.348 2.300 2.423 . 0 0 "[ . 1 . 2]" 1
102 1 12 VAL H 1 12 VAL QG 2.400 . 6.000 2.112 2.017 2.310 . 0 0 "[ . 1 . 2]" 1
103 1 12 VAL H 1 13 GLU H 2.400 . 2.700 2.754 2.659 2.820 0.120 5 0 "[ . 1 . 2]" 1
104 1 12 VAL HA 1 12 VAL HB 3.000 . 3.500 3.039 3.035 3.044 . 0 0 "[ . 1 . 2]" 1
105 1 12 VAL HA 1 12 VAL QG 2.400 . 6.000 2.094 2.028 2.169 . 0 0 "[ . 1 . 2]" 1
106 1 12 VAL HA 1 13 GLU H 3.000 . 3.500 3.567 3.551 3.588 0.088 9 0 "[ . 1 . 2]" 1
107 1 12 VAL HA 1 15 LEU H 4.000 . 5.000 3.755 3.403 4.162 . 0 0 "[ . 1 . 2]" 1
108 1 12 VAL HA 1 15 LEU QB 3.000 . 4.500 2.994 2.742 3.343 . 0 0 "[ . 1 . 2]" 1
109 1 12 VAL HA 1 15 LEU QD 3.000 . 6.800 2.777 1.990 4.332 . 0 0 "[ . 1 . 2]" 1
110 1 12 VAL HA 1 15 LEU HG 4.000 . 5.000 4.045 3.325 4.917 . 0 0 "[ . 1 . 2]" 1
111 1 12 VAL HA 1 24 PHE QE 4.000 . 7.200 6.693 5.004 7.429 0.229 1 0 "[ . 1 . 2]" 1
112 1 12 VAL HB 1 13 GLU H 2.400 . 2.700 2.383 2.258 2.497 . 0 0 "[ . 1 . 2]" 1
113 1 12 VAL QG 1 24 PHE QE 4.000 . 10.500 5.601 3.589 6.315 . 0 0 "[ . 1 . 2]" 1
114 1 12 VAL QG 1 26 TYR QD 4.000 . 10.500 6.476 4.986 8.182 . 0 0 "[ . 1 . 2]" 1
115 1 13 GLU H 1 13 GLU HA 2.400 . 2.700 2.838 2.826 2.845 0.145 10 0 "[ . 1 . 2]" 1
116 1 13 GLU H 1 13 GLU QB 2.400 . 3.700 2.245 2.148 2.331 . 0 0 "[ . 1 . 2]" 1
117 1 13 GLU H 1 13 GLU QG 3.000 . 4.500 2.852 2.047 4.006 . 0 0 "[ . 1 . 2]" 1
118 1 13 GLU H 1 14 ALA H 3.000 . 3.500 2.781 2.679 2.940 . 0 0 "[ . 1 . 2]" 1
119 1 13 GLU H 1 17 LEU QD 4.000 . 8.300 5.328 4.886 5.950 . 0 0 "[ . 1 . 2]" 1
120 1 13 GLU HA 1 13 GLU QB 2.400 . 3.700 2.403 2.364 2.425 . 0 0 "[ . 1 . 2]" 1
121 1 13 GLU HA 1 13 GLU QG 3.000 . 4.500 2.464 2.290 2.929 . 0 0 "[ . 1 . 2]" 1
122 1 13 GLU HA 1 14 ALA H 3.000 . 3.500 3.557 3.541 3.589 0.089 18 0 "[ . 1 . 2]" 1
123 1 13 GLU HA 1 16 TYR QB 2.400 . 3.700 3.052 2.791 3.416 . 0 0 "[ . 1 . 2]" 1
124 1 13 GLU HA 1 16 TYR QD 3.000 . 5.700 3.976 2.067 5.106 . 0 0 "[ . 1 . 2]" 1
125 1 13 GLU QB 1 14 ALA H 3.000 . 4.500 2.419 2.259 2.504 . 0 0 "[ . 1 . 2]" 1
126 1 14 ALA H 1 14 ALA HA 2.400 . 2.700 2.842 2.828 2.858 0.158 1 0 "[ . 1 . 2]" 1
127 1 14 ALA H 1 14 ALA MB 2.400 . 4.200 2.091 1.934 2.158 . 0 0 "[ . 1 . 2]" 1
128 1 14 ALA H 1 15 LEU H 3.000 . 3.500 2.817 2.712 2.974 . 0 0 "[ . 1 . 2]" 1
129 1 14 ALA HA 1 14 ALA MB 2.400 . 4.200 2.140 2.108 2.154 . 0 0 "[ . 1 . 2]" 1
130 1 14 ALA HA 1 15 LEU H 4.000 . 5.000 3.582 3.566 3.600 . 0 0 "[ . 1 . 2]" 1
131 1 14 ALA HA 1 17 LEU QB 4.000 . 6.000 2.838 2.364 3.194 . 0 0 "[ . 1 . 2]" 1
132 1 14 ALA MB 1 15 LEU H 2.400 . 4.200 2.404 2.235 2.619 . 0 0 "[ . 1 . 2]" 1
133 1 15 LEU H 1 15 LEU HA 3.000 . 3.500 2.845 2.836 2.853 . 0 0 "[ . 1 . 2]" 1
134 1 15 LEU H 1 15 LEU QB 2.400 . 3.700 2.269 2.089 2.334 . 0 0 "[ . 1 . 2]" 1
135 1 15 LEU H 1 15 LEU HG 3.000 . 3.500 2.378 2.083 3.678 0.178 18 0 "[ . 1 . 2]" 1
136 1 15 LEU H 1 16 TYR H 3.000 . 3.500 2.845 2.750 2.936 . 0 0 "[ . 1 . 2]" 1
137 1 15 LEU HA 1 15 LEU QB 2.400 . 3.700 2.432 2.410 2.494 . 0 0 "[ . 1 . 2]" 1
138 1 15 LEU HA 1 15 LEU MD1 2.400 . 4.200 3.531 1.934 3.825 . 0 0 "[ . 1 . 2]" 1
139 1 15 LEU HA 1 15 LEU MD2 3.000 . 5.000 2.070 1.906 2.212 . 0 0 "[ . 1 . 2]" 1
140 1 15 LEU HA 1 18 VAL H 4.000 . 5.000 3.681 3.457 4.149 . 0 0 "[ . 1 . 2]" 1
141 1 15 LEU HA 1 18 VAL HB 4.000 . 5.000 2.839 2.310 3.329 . 0 0 "[ . 1 . 2]" 1
142 1 15 LEU HA 1 18 VAL MG1 3.000 . 5.000 4.042 3.432 4.439 . 0 0 "[ . 1 . 2]" 1
143 1 15 LEU QB 1 16 TYR H 3.000 . 4.500 2.438 2.350 2.594 . 0 0 "[ . 1 . 2]" 1
144 1 15 LEU QB 1 24 PHE QE 4.000 . 8.200 4.103 3.091 5.103 . 0 0 "[ . 1 . 2]" 1
145 1 15 LEU QD 1 19 CYS HB2 4.000 . 8.300 4.571 2.952 5.695 . 0 0 "[ . 1 . 2]" 1
146 1 15 LEU QD 1 24 PHE QD 3.000 . 9.000 4.760 3.441 5.757 . 0 0 "[ . 1 . 2]" 1
147 1 15 LEU QD 1 24 PHE QE 4.000 . 10.500 4.156 2.460 5.280 . 0 0 "[ . 1 . 2]" 1
148 1 15 LEU QD 1 26 TYR QB 4.000 . 9.300 4.448 1.950 5.916 . 0 0 "[ . 1 . 2]" 1
149 1 15 LEU QD 1 26 TYR QD 4.000 . 10.500 3.611 2.346 4.778 . 0 0 "[ . 1 . 2]" 1
150 1 15 LEU QD 1 26 TYR QE 4.000 . 10.500 2.794 2.040 4.421 . 0 0 "[ . 1 . 2]" 1
151 1 15 LEU QD 1 53 TYR QB 4.000 . 9.300 8.931 8.191 9.476 0.176 5 0 "[ . 1 . 2]" 1
152 1 15 LEU QD 1 55 LEU HA 3.000 . 6.800 4.156 3.371 5.242 . 0 0 "[ . 1 . 2]" 1
153 1 15 LEU HG 1 26 TYR QD 4.000 . 7.200 6.384 4.926 7.293 0.093 2 0 "[ . 1 . 2]" 1
154 1 16 TYR H 1 16 TYR HA 3.000 . 3.500 2.859 2.844 2.891 . 0 0 "[ . 1 . 2]" 1
155 1 16 TYR H 1 16 TYR QB 2.400 . 3.700 2.148 2.061 2.284 . 0 0 "[ . 1 . 2]" 1
156 1 16 TYR H 1 17 LEU H 3.000 . 3.500 2.783 2.640 2.874 . 0 0 "[ . 1 . 2]" 1
157 1 16 TYR H 1 18 VAL MG2 4.000 . 6.500 5.220 4.850 5.406 . 0 0 "[ . 1 . 2]" 1
158 1 16 TYR HA 1 16 TYR QB 2.400 . 3.700 2.452 2.366 2.513 . 0 0 "[ . 1 . 2]" 1
159 1 16 TYR HA 1 16 TYR QD 3.000 . 5.700 2.720 2.059 2.987 . 0 0 "[ . 1 . 2]" 1
160 1 16 TYR HA 1 16 TYR QE 4.000 . 7.200 4.415 4.137 4.613 . 0 0 "[ . 1 . 2]" 1
161 1 16 TYR HA 1 19 CYS HB2 4.000 . 5.000 3.365 2.756 4.456 . 0 0 "[ . 1 . 2]" 1
162 1 16 TYR HA 1 24 PHE QD 4.000 . 7.200 5.404 3.385 7.028 . 0 0 "[ . 1 . 2]" 1
163 1 16 TYR HA 1 24 PHE QE 4.000 . 7.200 4.198 2.883 6.671 . 0 0 "[ . 1 . 2]" 1
164 1 16 TYR QB 1 16 TYR QD 2.400 . 5.900 2.160 2.147 2.187 . 0 0 "[ . 1 . 2]" 1
165 1 16 TYR QB 1 17 LEU H 3.000 . 4.500 2.461 2.248 2.696 . 0 0 "[ . 1 . 2]" 1
166 1 16 TYR QB 1 24 PHE QE 4.000 . 8.200 5.355 4.020 6.829 . 0 0 "[ . 1 . 2]" 1
167 1 16 TYR QD 1 17 LEU QD 3.000 . 9.000 4.218 2.439 5.243 . 0 0 "[ . 1 . 2]" 1
168 1 16 TYR QD 1 17 LEU HG 4.000 . 7.200 4.615 2.494 6.749 . 0 0 "[ . 1 . 2]" 1
169 1 16 TYR QE 1 17 LEU QD 3.000 . 9.000 5.615 3.270 6.816 . 0 0 "[ . 1 . 2]" 1
170 1 16 TYR QE 1 19 CYS HB2 4.000 . 7.200 6.531 6.076 7.139 . 0 0 "[ . 1 . 2]" 1
171 1 17 LEU H 1 17 LEU HA 2.400 . 2.700 2.856 2.825 2.872 0.172 6 0 "[ . 1 . 2]" 1
172 1 17 LEU H 1 17 LEU HB2 2.400 . 2.700 2.263 2.014 2.341 . 0 0 "[ . 1 . 2]" 1
173 1 17 LEU H 1 17 LEU HB3 3.000 . 3.500 3.506 3.394 3.528 0.028 7 0 "[ . 1 . 2]" 1
174 1 17 LEU H 1 17 LEU QD 4.000 . 8.300 2.951 2.005 3.115 . 0 0 "[ . 1 . 2]" 1
175 1 17 LEU H 1 17 LEU HG 4.000 . 5.000 2.359 2.030 3.945 . 0 0 "[ . 1 . 2]" 1
176 1 17 LEU H 1 18 VAL H 3.000 . 3.500 2.710 2.608 2.822 . 0 0 "[ . 1 . 2]" 1
177 1 17 LEU HA 1 17 LEU HB2 2.400 . 2.700 2.996 2.940 3.007 0.307 12 0 "[ . 1 . 2]" 1
178 1 17 LEU HA 1 17 LEU HB3 2.400 . 2.700 2.546 2.500 2.714 0.014 2 0 "[ . 1 . 2]" 1
179 1 17 LEU HA 1 17 LEU QD 2.400 . 6.000 2.092 1.913 2.558 . 0 0 "[ . 1 . 2]" 1
180 1 17 LEU HA 1 17 LEU HG 3.000 . 3.500 2.747 2.190 2.894 . 0 0 "[ . 1 . 2]" 1
181 1 17 LEU HA 1 18 VAL H 4.000 . 5.000 3.563 3.547 3.588 . 0 0 "[ . 1 . 2]" 1
182 1 17 LEU HB2 1 17 LEU QD 3.000 . 6.800 2.190 2.042 2.322 . 0 0 "[ . 1 . 2]" 1
183 1 17 LEU HB2 1 18 VAL H 3.000 . 3.500 2.587 2.420 2.855 . 0 0 "[ . 1 . 2]" 1
184 1 17 LEU HB3 1 17 LEU QD 3.000 . 6.800 2.079 2.019 2.268 . 0 0 "[ . 1 . 2]" 1
185 1 17 LEU HB3 1 18 VAL H 4.000 . 5.000 3.484 3.156 3.593 . 0 0 "[ . 1 . 2]" 1
186 1 18 VAL H 1 18 VAL HA 3.000 . 3.500 2.889 2.870 2.913 . 0 0 "[ . 1 . 2]" 1
187 1 18 VAL H 1 18 VAL HB 3.000 . 3.500 2.320 2.206 2.471 . 0 0 "[ . 1 . 2]" 1
188 1 18 VAL H 1 18 VAL MG1 2.400 . 4.200 3.708 3.674 3.725 . 0 0 "[ . 1 . 2]" 1
189 1 18 VAL H 1 18 VAL MG2 3.000 . 5.000 2.178 2.018 2.366 . 0 0 "[ . 1 . 2]" 1
190 1 18 VAL H 1 19 CYS H 2.400 . 2.700 2.728 2.640 2.855 0.155 6 0 "[ . 1 . 2]" 1
191 1 18 VAL HA 1 18 VAL HB 2.400 . 2.700 3.010 3.005 3.012 0.312 11 0 "[ . 1 . 2]" 1
192 1 18 VAL HA 1 18 VAL MG1 2.400 . 4.200 2.419 2.330 2.514 . 0 0 "[ . 1 . 2]" 1
193 1 18 VAL HA 1 18 VAL MG2 3.000 . 5.000 2.323 2.172 2.421 . 0 0 "[ . 1 . 2]" 1
194 1 18 VAL HA 1 19 CYS H 3.000 . 3.500 3.570 3.556 3.581 0.081 4 0 "[ . 1 . 2]" 1
195 1 18 VAL HB 1 18 VAL MG1 2.400 . 4.200 2.133 2.114 2.151 . 0 0 "[ . 1 . 2]" 1
196 1 18 VAL HB 1 19 CYS H 3.000 . 3.500 2.366 2.097 2.605 . 0 0 "[ . 1 . 2]" 1
197 1 18 VAL QG 1 55 LEU QD 3.000 . 10.100 3.056 1.852 4.675 . 0 0 "[ . 1 . 2]" 1
198 1 18 VAL MG1 1 19 CYS H 4.000 . 6.500 3.156 2.518 3.461 . 0 0 "[ . 1 . 2]" 1
199 1 18 VAL MG1 1 55 LEU QB 4.000 . 7.500 3.110 1.941 4.897 . 0 0 "[ . 1 . 2]" 1
200 1 18 VAL MG1 1 56 GLU HA 4.000 . 6.500 3.768 2.222 5.659 . 0 0 "[ . 1 . 2]" 1
201 1 18 VAL MG2 1 19 CYS H 3.000 . 5.000 3.808 3.690 3.925 . 0 0 "[ . 1 . 2]" 1
202 1 19 CYS H 1 19 CYS HA 3.000 . 3.500 2.895 2.880 2.921 . 0 0 "[ . 1 . 2]" 1
203 1 19 CYS H 1 19 CYS HB2 2.400 . 2.700 2.236 2.144 2.407 . 0 0 "[ . 1 . 2]" 1
204 1 19 CYS H 1 19 CYS HB3 3.000 . 3.500 3.518 3.489 3.552 0.052 8 0 "[ . 1 . 2]" 1
205 1 19 CYS H 1 20 GLY H 3.000 . 3.500 2.672 2.579 2.900 . 0 0 "[ . 1 . 2]" 1
206 1 19 CYS HA 1 19 CYS HB2 2.400 . 2.700 3.000 2.985 3.016 0.316 8 0 "[ . 1 . 2]" 1
207 1 19 CYS HA 1 19 CYS HB3 2.400 . 2.700 2.554 2.467 2.619 . 0 0 "[ . 1 . 2]" 1
208 1 19 CYS HB2 1 20 GLY H 4.000 . 5.000 2.513 2.107 2.823 . 0 0 "[ . 1 . 2]" 1
209 1 19 CYS HB3 1 24 PHE QD 4.000 . 7.200 3.643 2.218 5.355 . 0 0 "[ . 1 . 2]" 1
210 1 20 GLY H 1 20 GLY HA3 2.400 . 2.700 2.862 2.787 2.943 0.243 4 0 "[ . 1 . 2]" 1
211 1 20 GLY QA 1 21 GLU H 2.400 . 3.700 2.791 2.241 2.960 . 0 0 "[ . 1 . 2]" 1
212 1 20 GLY QA 1 21 GLU QB 3.000 . 5.500 4.242 3.550 4.603 . 0 0 "[ . 1 . 2]" 1
213 1 21 GLU H 1 21 GLU HA 2.400 . 2.700 2.938 2.817 2.979 0.279 4 0 "[ . 1 . 2]" 1
214 1 21 GLU H 1 21 GLU QG 3.000 . 4.500 3.265 2.115 4.187 . 0 0 "[ . 1 . 2]" 1
215 1 21 GLU H 1 22 ARG H 4.000 . 5.000 4.460 4.059 4.696 . 0 0 "[ . 1 . 2]" 1
216 1 21 GLU HA 1 21 GLU QG 2.400 . 3.700 2.352 2.248 2.805 . 0 0 "[ . 1 . 2]" 1
217 1 22 ARG H 1 22 ARG HA 2.400 . 2.700 2.920 2.832 2.977 0.277 13 0 "[ . 1 . 2]" 1
218 1 22 ARG H 1 22 ARG QB 2.400 . 3.700 2.268 2.161 2.415 . 0 0 "[ . 1 . 2]" 1
219 1 22 ARG H 1 22 ARG QG 3.000 . 4.500 2.894 1.930 4.008 . 0 0 "[ . 1 . 2]" 1
220 1 22 ARG H 1 23 GLY H 3.000 . 3.500 2.779 2.323 3.764 0.264 9 0 "[ . 1 . 2]" 1
221 1 22 ARG HA 1 22 ARG QB 2.400 . 3.700 2.391 2.198 2.424 . 0 0 "[ . 1 . 2]" 1
222 1 22 ARG HA 1 22 ARG QD 3.000 . 4.500 3.947 2.222 4.272 . 0 0 "[ . 1 . 2]" 1
223 1 22 ARG HA 1 22 ARG QG 2.400 . 3.700 2.413 2.286 3.326 . 0 0 "[ . 1 . 2]" 1
224 1 22 ARG HA 1 23 GLY H 4.000 . 5.000 3.198 2.284 3.575 . 0 0 "[ . 1 . 2]" 1
225 1 22 ARG QB 1 22 ARG QD 2.400 . 4.700 2.212 2.089 2.363 . 0 0 "[ . 1 . 2]" 1
226 1 22 ARG QD 1 24 PHE QE 4.000 . 8.200 6.606 4.883 8.321 0.121 15 0 "[ . 1 . 2]" 1
227 1 23 GLY QA 1 24 PHE H 3.000 . 4.500 2.758 2.377 2.977 . 0 0 "[ . 1 . 2]" 1
228 1 23 GLY QA 1 24 PHE QD 4.000 . 8.200 4.335 3.687 5.738 . 0 0 "[ . 1 . 2]" 1
229 1 23 GLY QA 1 24 PHE QE 4.000 . 8.200 5.585 4.893 7.548 . 0 0 "[ . 1 . 2]" 1
230 1 24 PHE H 1 24 PHE QD 4.000 . 7.200 2.300 1.927 4.108 . 0 0 "[ . 1 . 2]" 1
231 1 24 PHE H 1 25 PHE H 4.000 . 5.000 4.545 3.803 4.686 . 0 0 "[ . 1 . 2]" 1
232 1 24 PHE HA 1 24 PHE QD 3.000 . 5.700 3.620 2.763 3.743 . 0 0 "[ . 1 . 2]" 1
233 1 24 PHE QB 1 25 PHE H 4.000 . 6.000 3.262 2.735 4.094 . 0 0 "[ . 1 . 2]" 1
234 1 24 PHE HB2 1 24 PHE QD 3.000 . 5.700 2.454 2.356 2.646 . 0 0 "[ . 1 . 2]" 1
235 1 24 PHE HB3 1 24 PHE QD 2.400 . 4.900 2.422 2.301 2.802 . 0 0 "[ . 1 . 2]" 1
236 1 24 PHE QD 1 25 PHE HA 4.000 . 7.200 4.199 3.164 5.788 . 0 0 "[ . 1 . 2]" 1
237 1 24 PHE QE 1 26 TYR QB 4.000 . 8.200 3.297 2.092 6.117 . 0 0 "[ . 1 . 2]" 1
238 1 25 PHE H 1 25 PHE HA 2.400 . 2.700 2.904 2.865 2.930 0.230 9 0 "[ . 1 . 2]" 1
239 1 25 PHE H 1 25 PHE QB 2.400 . 3.700 2.420 2.029 3.228 . 0 0 "[ . 1 . 2]" 1
240 1 25 PHE H 1 25 PHE QD 4.000 . 7.200 2.738 2.031 4.128 . 0 0 "[ . 1 . 2]" 1
241 1 25 PHE H 1 27 THR H 4.000 . 5.000 4.896 4.068 5.275 0.275 6 0 "[ . 1 . 2]" 1
242 1 25 PHE HA 1 25 PHE QB 2.400 . 3.700 2.359 2.183 2.500 . 0 0 "[ . 1 . 2]" 1
243 1 25 PHE HA 1 25 PHE QD 3.000 . 5.700 2.852 2.158 3.715 . 0 0 "[ . 1 . 2]" 1
244 1 25 PHE HA 1 25 PHE QE 4.000 . 7.200 4.724 4.284 5.627 . 0 0 "[ . 1 . 2]" 1
245 1 25 PHE HA 1 26 TYR QD 4.000 . 7.200 6.017 5.709 6.343 . 0 0 "[ . 1 . 2]" 1
246 1 25 PHE QB 1 25 PHE QD 2.400 . 5.900 2.156 2.146 2.172 . 0 0 "[ . 1 . 2]" 1
247 1 25 PHE QB 1 27 THR H 4.000 . 6.000 3.218 2.510 4.533 . 0 0 "[ . 1 . 2]" 1
248 1 26 TYR H 1 26 TYR HA 2.400 . 2.700 2.358 2.344 2.377 . 0 0 "[ . 1 . 2]" 1
249 1 26 TYR H 1 26 TYR QB 3.000 . 4.500 2.846 2.714 2.944 . 0 0 "[ . 1 . 2]" 1
250 1 26 TYR H 1 27 THR H 4.000 . 5.000 2.977 2.754 3.398 . 0 0 "[ . 1 . 2]" 1
251 1 26 TYR HA 1 26 TYR QD 2.400 . 4.900 2.608 2.099 2.945 . 0 0 "[ . 1 . 2]" 1
252 1 26 TYR HA 1 26 TYR QE 4.000 . 7.200 4.347 4.083 4.492 . 0 0 "[ . 1 . 2]" 1
253 1 26 TYR QB 1 26 TYR QD 2.400 . 5.900 2.167 2.149 2.215 . 0 0 "[ . 1 . 2]" 1
254 1 26 TYR QB 1 26 TYR QE 4.000 . 8.200 3.972 3.962 3.995 . 0 0 "[ . 1 . 2]" 1
255 1 26 TYR QB 1 41 ILE MD 4.000 . 7.500 5.890 2.602 7.682 0.182 4 0 "[ . 1 . 2]" 1
256 1 26 TYR QD 1 41 ILE MD 4.000 . 8.700 4.521 2.894 6.569 . 0 0 "[ . 1 . 2]" 1
257 1 26 TYR QE 1 28 PRO HA 4.000 . 7.200 6.529 5.078 7.333 0.133 8 0 "[ . 1 . 2]" 1
258 1 26 TYR QE 1 28 PRO QB 4.000 . 8.200 5.778 3.648 7.224 . 0 0 "[ . 1 . 2]" 1
259 1 26 TYR QE 1 28 PRO QD 4.000 . 8.200 5.385 3.458 7.223 . 0 0 "[ . 1 . 2]" 1
260 1 26 TYR QE 1 41 ILE MD 4.000 . 8.700 3.484 1.955 5.853 . 0 0 "[ . 1 . 2]" 1
261 1 26 TYR QE 1 41 ILE MG 4.000 . 8.700 3.945 2.130 5.988 . 0 0 "[ . 1 . 2]" 1
262 1 26 TYR QE 1 55 LEU HA 4.000 . 7.200 5.431 2.535 7.248 0.048 2 0 "[ . 1 . 2]" 1
263 1 27 THR H 1 27 THR HA 2.400 . 2.700 2.924 2.893 2.972 0.272 13 0 "[ . 1 . 2]" 1
264 1 27 THR H 1 27 THR HB 4.000 . 5.000 3.016 2.327 3.860 . 0 0 "[ . 1 . 2]" 1
265 1 27 THR H 1 27 THR MG 3.000 . 5.000 2.887 1.921 3.971 . 0 0 "[ . 1 . 2]" 1
266 1 27 THR HA 1 27 THR HB 3.000 . 3.500 2.693 2.428 3.035 . 0 0 "[ . 1 . 2]" 1
267 1 27 THR HA 1 27 THR HG1 3.000 . 3.500 2.329 2.078 2.995 . 0 0 "[ . 1 . 2]" 1
268 1 27 THR HA 1 28 PRO QB 4.000 . 6.000 4.659 4.595 4.914 . 0 0 "[ . 1 . 2]" 1
269 1 27 THR HA 1 28 PRO QD 2.400 . 3.700 2.041 1.928 2.193 . 0 0 "[ . 1 . 2]" 1
270 1 27 THR HB 1 28 PRO QD 3.000 . 4.500 3.618 2.045 4.285 . 0 0 "[ . 1 . 2]" 1
271 1 27 THR HG1 1 28 PRO QD 3.000 . 4.500 2.875 1.830 3.799 . 0 0 "[ . 1 . 2]" 1
272 1 28 PRO HA 1 28 PRO QB 2.400 . 3.700 2.196 2.190 2.204 . 0 0 "[ . 1 . 2]" 1
273 1 28 PRO HA 1 28 PRO QD 4.000 . 6.000 3.452 3.354 3.536 . 0 0 "[ . 1 . 2]" 1
274 1 28 PRO HA 1 29 LYS H 2.400 . 2.700 2.546 2.253 2.832 0.132 7 0 "[ . 1 . 2]" 1
275 1 28 PRO HB3 1 28 PRO QD 2.400 . 3.700 3.067 2.861 3.349 . 0 0 "[ . 1 . 2]" 1
276 1 29 LYS H 1 29 LYS HA 2.400 . 2.700 2.872 2.850 2.907 0.207 19 0 "[ . 1 . 2]" 1
277 1 29 LYS H 1 29 LYS QB 3.000 . 4.500 2.225 2.126 2.384 . 0 0 "[ . 1 . 2]" 1
278 1 29 LYS H 1 29 LYS QG 3.000 . 4.500 2.983 1.972 4.003 . 0 0 "[ . 1 . 2]" 1
279 1 29 LYS H 1 30 THR H 3.000 . 3.500 2.790 2.554 3.585 0.085 9 0 "[ . 1 . 2]" 1
280 1 29 LYS HA 1 29 LYS QB 2.400 . 3.700 2.383 2.193 2.443 . 0 0 "[ . 1 . 2]" 1
281 1 29 LYS HA 1 29 LYS QD 3.000 . 4.500 3.639 1.980 4.271 . 0 0 "[ . 1 . 2]" 1
282 1 29 LYS QB 1 30 THR H 4.000 . 6.000 2.871 2.013 3.921 . 0 0 "[ . 1 . 2]" 1
283 1 29 LYS QE 1 29 LYS QG 3.000 . 5.500 2.230 2.053 2.483 . 0 0 "[ . 1 . 2]" 1
284 1 30 THR H 1 30 THR HA 2.400 . 2.700 2.524 2.335 2.930 0.230 13 0 "[ . 1 . 2]" 1
285 1 30 THR H 1 30 THR HB 3.000 . 3.500 3.368 2.742 3.903 0.403 5 0 "[ . 1 . 2]" 1
286 1 30 THR H 1 30 THR MG 3.000 . 5.000 3.631 2.128 4.016 . 0 0 "[ . 1 . 2]" 1
287 1 30 THR H 1 31 ARG H 3.000 . 3.500 3.116 1.936 3.741 0.241 2 0 "[ . 1 . 2]" 1
288 1 30 THR HA 1 30 THR HG1 3.000 . 3.500 2.336 2.081 2.915 . 0 0 "[ . 1 . 2]" 1
289 1 30 THR HB 1 31 ARG H 4.000 . 5.000 3.832 1.966 4.681 . 0 0 "[ . 1 . 2]" 1
290 1 31 ARG H 1 31 ARG HA 2.400 . 2.700 2.720 2.354 2.950 0.250 9 0 "[ . 1 . 2]" 1
291 1 31 ARG H 1 31 ARG QG 4.000 . 6.000 2.588 2.032 3.409 . 0 0 "[ . 1 . 2]" 1
292 1 31 ARG H 1 32 ARG H 4.000 . 5.000 3.553 2.058 4.740 . 0 0 "[ . 1 . 2]" 1
293 1 31 ARG HA 1 31 ARG HB2 3.000 . 3.500 3.029 3.008 3.042 . 0 0 "[ . 1 . 2]" 1
294 1 31 ARG HA 1 31 ARG HB3 2.400 . 2.700 2.538 2.475 2.633 . 0 0 "[ . 1 . 2]" 1
295 1 31 ARG HA 1 31 ARG QD 3.000 . 4.500 3.519 1.933 4.199 . 0 0 "[ . 1 . 2]" 1
296 1 31 ARG QB 1 31 ARG QD 3.000 . 5.500 2.259 2.138 2.554 . 0 0 "[ . 1 . 2]" 1
297 1 31 ARG QB 1 32 ARG H 2.400 . 3.700 2.753 1.875 3.910 0.210 1 0 "[ . 1 . 2]" 1
298 1 32 ARG H 1 32 ARG HA 2.400 . 2.700 2.818 2.353 2.968 0.268 18 0 "[ . 1 . 2]" 1
299 1 32 ARG H 1 32 ARG QB 2.400 . 3.700 2.502 2.146 3.285 . 0 0 "[ . 1 . 2]" 1
300 1 32 ARG H 1 32 ARG QG 3.000 . 4.500 2.838 1.917 4.229 . 0 0 "[ . 1 . 2]" 1
301 1 32 ARG HA 1 32 ARG HG2 4.000 . 5.000 2.963 2.401 3.739 . 0 0 "[ . 1 . 2]" 1
302 1 32 ARG HA 1 32 ARG HG3 3.000 . 3.500 3.042 2.415 3.733 0.233 19 0 "[ . 1 . 2]" 1
303 1 33 TYR H 1 33 TYR HA 3.000 . 3.500 2.944 2.907 2.980 . 0 0 "[ . 1 . 2]" 1
304 1 33 TYR H 1 33 TYR HB2 3.000 . 3.500 2.525 1.988 3.157 . 0 0 "[ . 1 . 2]" 1
305 1 33 TYR H 1 33 TYR HB3 3.000 . 3.500 3.353 2.929 3.724 0.224 11 0 "[ . 1 . 2]" 1
306 1 33 TYR HA 1 33 TYR HB2 3.000 . 3.500 2.862 2.561 3.032 . 0 0 "[ . 1 . 2]" 1
307 1 33 TYR HA 1 33 TYR HB3 2.400 . 2.700 2.808 2.494 3.001 0.301 10 0 "[ . 1 . 2]" 1
308 1 33 TYR HA 1 33 TYR QD 3.000 . 5.700 2.589 1.991 3.064 . 0 0 "[ . 1 . 2]" 1
309 1 33 TYR HA 1 34 PRO QD 4.000 . 6.000 2.470 1.947 3.565 . 0 0 "[ . 1 . 2]" 1
310 1 33 TYR HA 1 34 PRO QG 4.000 . 6.000 4.342 3.902 5.348 . 0 0 "[ . 1 . 2]" 1
311 1 33 TYR QB 1 34 PRO QD 4.000 . 7.000 2.975 1.868 3.870 . 0 0 "[ . 1 . 2]" 1
312 1 33 TYR QD 1 34 PRO QD 4.000 . 8.200 3.156 1.841 4.323 . 0 0 "[ . 1 . 2]" 1
313 1 34 PRO HA 1 34 PRO QD 4.000 . 6.000 3.449 3.362 3.528 . 0 0 "[ . 1 . 2]" 1
314 1 34 PRO HA 1 35 GLY H 3.000 . 3.500 2.828 2.209 3.584 0.084 7 0 "[ . 1 . 2]" 1
315 1 35 GLY H 1 35 GLY QA 2.400 . 3.700 2.351 2.246 2.525 . 0 0 "[ . 1 . 2]" 1
316 1 35 GLY H 1 36 ASP H 3.000 . 3.500 3.002 2.164 3.857 0.357 4 0 "[ . 1 . 2]" 1
317 1 35 GLY QA 1 36 ASP H 2.400 . 3.700 2.503 2.136 2.955 . 0 0 "[ . 1 . 2]" 1
318 1 36 ASP H 1 36 ASP HA 3.000 . 3.500 2.732 2.357 2.960 . 0 0 "[ . 1 . 2]" 1
319 1 36 ASP H 1 36 ASP QB 3.000 . 4.500 2.662 2.190 3.239 . 0 0 "[ . 1 . 2]" 1
320 1 36 ASP H 1 37 VAL H 4.000 . 5.000 4.022 2.845 4.668 . 0 0 "[ . 1 . 2]" 1
321 1 36 ASP HA 1 36 ASP HB2 3.000 . 3.500 2.853 2.464 3.038 . 0 0 "[ . 1 . 2]" 1
322 1 36 ASP HA 1 36 ASP HB3 2.400 . 2.700 2.621 2.469 3.009 0.309 8 0 "[ . 1 . 2]" 1
323 1 36 ASP HA 1 37 VAL H 2.400 . 2.700 2.512 2.212 2.874 0.174 16 0 "[ . 1 . 2]" 1
324 1 37 VAL H 1 37 VAL HA 2.400 . 2.700 2.522 2.345 2.938 0.238 11 0 "[ . 1 . 2]" 1
325 1 37 VAL H 1 37 VAL HB 3.000 . 3.500 3.153 2.333 3.845 0.345 8 0 "[ . 1 . 2]" 1
326 1 37 VAL H 1 37 VAL QG 2.400 . 6.000 2.501 2.037 3.119 . 0 0 "[ . 1 . 2]" 1
327 1 37 VAL H 1 38 LYS H 4.000 . 5.000 3.797 2.575 4.644 . 0 0 "[ . 1 . 2]" 1
328 1 37 VAL HB 1 38 LYS H 4.000 . 5.000 3.040 1.951 4.672 . 0 0 "[ . 1 . 2]" 1
329 1 38 LYS H 1 38 LYS HA 3.000 . 3.500 2.939 2.894 2.981 . 0 0 "[ . 1 . 2]" 1
330 1 38 LYS H 1 38 LYS QB 3.000 . 4.500 2.427 2.014 3.224 . 0 0 "[ . 1 . 2]" 1
331 1 38 LYS HA 1 39 ARG H 3.000 . 3.500 2.500 2.199 3.540 0.040 16 0 "[ . 1 . 2]" 1
332 1 39 ARG H 1 39 ARG HA 2.400 . 2.700 2.868 2.332 2.949 0.249 7 0 "[ . 1 . 2]" 1
333 1 39 ARG H 1 39 ARG QB 3.000 . 4.500 2.451 2.188 3.334 . 0 0 "[ . 1 . 2]" 1
334 1 39 ARG H 1 40 GLY H 3.000 . 3.500 2.418 1.888 2.703 . 0 0 "[ . 1 . 2]" 1
335 1 39 ARG H 1 41 ILE H 4.000 . 5.000 4.878 4.091 5.118 0.118 13 0 "[ . 1 . 2]" 1
336 1 39 ARG H 1 43 GLU H 4.000 . 5.000 5.077 4.715 5.451 0.451 17 0 "[ . 1 . 2]" 1
337 1 39 ARG HA 1 40 GLY H 3.000 . 3.500 3.497 2.918 3.570 0.070 13 0 "[ . 1 . 2]" 1
338 1 39 ARG QB 1 39 ARG QD 3.000 . 5.500 2.263 2.117 2.616 . 0 0 "[ . 1 . 2]" 1
339 1 40 GLY QA 1 41 ILE H 2.400 . 3.700 2.636 2.260 2.847 . 0 0 "[ . 1 . 2]" 1
340 1 41 ILE H 1 41 ILE HA 3.000 . 3.500 2.884 2.851 3.003 . 0 0 "[ . 1 . 2]" 1
341 1 41 ILE H 1 41 ILE HB 3.000 . 3.500 2.576 2.301 3.565 0.065 10 0 "[ . 1 . 2]" 1
342 1 41 ILE H 1 41 ILE QG 4.000 . 6.000 2.216 1.899 3.936 . 0 0 "[ . 1 . 2]" 1
343 1 41 ILE H 1 41 ILE MG 3.000 . 5.000 3.303 1.942 3.815 . 0 0 "[ . 1 . 2]" 1
344 1 41 ILE HA 1 41 ILE QG 3.000 . 4.500 2.563 2.275 3.341 . 0 0 "[ . 1 . 2]" 1
345 1 41 ILE HA 1 41 ILE MG 3.000 . 5.000 2.462 2.268 3.216 . 0 0 "[ . 1 . 2]" 1
346 1 41 ILE HA 1 42 VAL H 3.000 . 3.500 3.540 3.266 3.579 0.079 14 0 "[ . 1 . 2]" 1
347 1 41 ILE QG 1 42 VAL H 3.000 . 4.500 3.680 1.923 4.321 . 0 0 "[ . 1 . 2]" 1
348 1 41 ILE QG 1 43 GLU QG 4.000 . 7.000 6.630 5.139 7.198 0.198 11 0 "[ . 1 . 2]" 1
349 1 41 ILE MG 1 42 VAL H 3.000 . 5.000 3.341 1.874 4.107 . 0 0 "[ . 1 . 2]" 1
350 1 41 ILE MG 1 43 GLU QG 4.000 . 7.500 6.466 5.284 7.155 . 0 0 "[ . 1 . 2]" 1
351 1 42 VAL H 1 42 VAL HA 3.000 . 3.500 2.859 2.844 2.890 . 0 0 "[ . 1 . 2]" 1
352 1 42 VAL H 1 42 VAL HB 3.000 . 3.500 2.651 2.280 3.555 0.055 18 0 "[ . 1 . 2]" 1
353 1 42 VAL H 1 43 GLU H 3.000 . 3.500 2.712 2.542 2.825 . 0 0 "[ . 1 . 2]" 1
354 1 42 VAL HA 1 42 VAL HB 2.400 . 2.700 2.773 2.464 3.017 0.317 10 0 "[ . 1 . 2]" 1
355 1 42 VAL HA 1 42 VAL QG 2.400 . 6.000 2.169 2.023 2.343 . 0 0 "[ . 1 . 2]" 1
356 1 42 VAL HA 1 43 GLU H 3.000 . 3.500 3.553 3.504 3.576 0.076 20 0 "[ . 1 . 2]" 1
357 1 42 VAL HB 1 43 GLU H 4.000 . 5.000 3.068 2.369 3.879 . 0 0 "[ . 1 . 2]" 1
358 1 42 VAL HB 1 43 GLU QG 4.000 . 6.000 4.324 3.210 6.222 0.222 18 0 "[ . 1 . 2]" 1
359 1 42 VAL QG 1 43 GLU H 3.000 . 6.800 2.573 1.867 3.211 . 0 0 "[ . 1 . 2]" 1
360 1 43 GLU H 1 43 GLU HA 2.400 . 2.700 2.846 2.825 2.876 0.176 4 0 "[ . 1 . 2]" 1
361 1 43 GLU H 1 43 GLU QB 2.400 . 3.700 2.258 2.110 2.455 . 0 0 "[ . 1 . 2]" 1
362 1 43 GLU H 1 43 GLU QG 4.000 . 6.000 2.498 1.903 3.920 . 0 0 "[ . 1 . 2]" 1
363 1 43 GLU H 1 44 GLN H 3.000 . 3.500 2.732 2.646 2.816 . 0 0 "[ . 1 . 2]" 1
364 1 43 GLU HA 1 44 GLN H 4.000 . 5.000 3.545 3.455 3.574 . 0 0 "[ . 1 . 2]" 1
365 1 43 GLU HA 1 47 THR MG 4.000 . 6.500 5.234 3.713 6.488 . 0 0 "[ . 1 . 2]" 1
366 1 43 GLU QB 1 44 GLN H 2.400 . 3.700 2.656 2.470 3.534 . 0 0 "[ . 1 . 2]" 1
367 1 44 GLN H 1 44 GLN HA 3.000 . 3.500 2.853 2.840 2.880 . 0 0 "[ . 1 . 2]" 1
368 1 44 GLN H 1 44 GLN QG 4.000 . 6.000 3.406 2.129 3.939 . 0 0 "[ . 1 . 2]" 1
369 1 44 GLN HA 1 44 GLN QB 2.400 . 3.700 2.388 2.362 2.436 . 0 0 "[ . 1 . 2]" 1
370 1 44 GLN HA 1 44 GLN QG 3.000 . 4.500 2.391 2.279 2.627 . 0 0 "[ . 1 . 2]" 1
371 1 44 GLN HA 1 45 CYS H 4.000 . 5.000 3.584 3.564 3.605 . 0 0 "[ . 1 . 2]" 1
372 1 44 GLN QB 1 45 CYS H 3.000 . 4.500 2.482 2.321 2.593 . 0 0 "[ . 1 . 2]" 1
373 1 45 CYS H 1 45 CYS HA 3.000 . 3.500 2.931 2.908 2.951 . 0 0 "[ . 1 . 2]" 1
374 1 45 CYS H 1 45 CYS HB2 3.000 . 3.500 2.346 2.220 2.432 . 0 0 "[ . 1 . 2]" 1
375 1 45 CYS H 1 45 CYS HB3 4.000 . 5.000 3.558 3.526 3.590 . 0 0 "[ . 1 . 2]" 1
376 1 45 CYS H 1 47 THR H 4.000 . 5.000 4.379 4.142 4.709 . 0 0 "[ . 1 . 2]" 1
377 1 45 CYS HA 1 45 CYS HB2 3.000 . 3.500 3.032 3.019 3.039 . 0 0 "[ . 1 . 2]" 1
378 1 45 CYS HA 1 45 CYS HB3 3.000 . 3.500 2.510 2.464 2.591 . 0 0 "[ . 1 . 2]" 1
379 1 45 CYS HA 1 48 SER H 4.000 . 5.000 3.499 3.309 3.834 . 0 0 "[ . 1 . 2]" 1
380 1 45 CYS HA 1 49 ILE HA 4.000 . 5.000 4.035 3.343 4.720 . 0 0 "[ . 1 . 2]" 1
381 1 45 CYS HA 1 50 CYS QB 4.000 . 6.000 3.647 3.307 4.067 . 0 0 "[ . 1 . 2]" 1
382 1 45 CYS HB3 1 55 LEU QD 3.000 . 6.800 4.457 3.565 5.255 . 0 0 "[ . 1 . 2]" 1
383 1 46 CYS H 1 46 CYS HA 3.000 . 3.500 2.879 2.842 2.905 . 0 0 "[ . 1 . 2]" 1
384 1 46 CYS H 1 46 CYS QB 3.000 . 4.500 2.079 1.965 2.379 . 0 0 "[ . 1 . 2]" 1
385 1 46 CYS HA 1 46 CYS HB2 3.000 . 3.500 2.959 2.643 3.042 . 0 0 "[ . 1 . 2]" 1
386 1 46 CYS HA 1 46 CYS HB3 2.400 . 2.700 2.703 2.486 2.979 0.279 20 0 "[ . 1 . 2]" 1
387 1 46 CYS QB 1 49 ILE QG 4.000 . 7.000 6.846 6.577 7.130 0.130 4 0 "[ . 1 . 2]" 1
388 1 47 THR H 1 47 THR HA 3.000 . 3.500 2.910 2.890 2.932 . 0 0 "[ . 1 . 2]" 1
389 1 47 THR H 1 47 THR HB 3.000 . 3.500 2.921 2.391 3.539 0.039 12 0 "[ . 1 . 2]" 1
390 1 47 THR H 1 47 THR MG 3.000 . 5.000 3.105 2.144 3.721 . 0 0 "[ . 1 . 2]" 1
391 1 47 THR H 1 48 SER H 3.000 . 3.500 2.575 2.485 2.648 . 0 0 "[ . 1 . 2]" 1
392 1 47 THR HA 1 47 THR HB 3.000 . 3.500 2.813 2.485 3.042 . 0 0 "[ . 1 . 2]" 1
393 1 47 THR HA 1 47 THR HG1 2.400 . 2.700 2.250 2.078 2.384 . 0 0 "[ . 1 . 2]" 1
394 1 47 THR HB 1 48 SER H 4.000 . 5.000 2.967 2.322 3.958 . 0 0 "[ . 1 . 2]" 1
395 1 48 SER H 1 49 ILE H 4.000 . 5.000 4.447 4.244 4.522 . 0 0 "[ . 1 . 2]" 1
396 1 48 SER HA 1 48 SER HB2 3.000 . 3.500 2.947 2.426 3.040 . 0 0 "[ . 1 . 2]" 1
397 1 48 SER HA 1 48 SER HB3 2.400 . 2.700 2.491 2.391 2.591 . 0 0 "[ . 1 . 2]" 1
398 1 48 SER HA 1 49 ILE H 3.000 . 3.500 2.418 2.252 2.916 . 0 0 "[ . 1 . 2]" 1
399 1 48 SER HA 1 49 ILE MD 4.000 . 6.500 4.767 4.474 4.964 . 0 0 "[ . 1 . 2]" 1
400 1 48 SER HA 1 49 ILE QG 4.000 . 6.000 3.416 3.148 3.551 . 0 0 "[ . 1 . 2]" 1
401 1 49 ILE H 1 49 ILE HA 3.000 . 3.500 2.911 2.859 3.003 . 0 0 "[ . 1 . 2]" 1
402 1 49 ILE H 1 49 ILE HB 3.000 . 3.500 2.416 2.360 2.518 . 0 0 "[ . 1 . 2]" 1
403 1 49 ILE H 1 49 ILE MD 3.000 . 5.000 3.366 3.177 3.747 . 0 0 "[ . 1 . 2]" 1
404 1 49 ILE H 1 49 ILE QG 3.000 . 4.500 2.090 1.940 2.608 . 0 0 "[ . 1 . 2]" 1
405 1 49 ILE HA 1 49 ILE HB 3.000 . 3.500 3.041 3.033 3.043 . 0 0 "[ . 1 . 2]" 1
406 1 49 ILE HA 1 49 ILE MD 3.000 . 5.000 3.852 3.831 3.871 . 0 0 "[ . 1 . 2]" 1
407 1 49 ILE HA 1 49 ILE QG 3.000 . 4.500 2.144 2.101 2.173 . 0 0 "[ . 1 . 2]" 1
408 1 49 ILE HA 1 50 CYS H 3.000 . 3.500 2.203 2.183 2.217 . 0 0 "[ . 1 . 2]" 1
409 1 49 ILE HB 1 49 ILE MD 2.400 . 4.200 2.250 2.154 2.355 . 0 0 "[ . 1 . 2]" 1
410 1 50 CYS HA 1 50 CYS HB3 3.000 . 3.500 2.618 2.507 2.754 . 0 0 "[ . 1 . 2]" 1
411 1 50 CYS HA 1 51 SER H 2.400 . 2.700 2.285 2.194 2.439 . 0 0 "[ . 1 . 2]" 1
412 1 50 CYS QB 1 51 SER H 4.000 . 6.000 3.045 2.583 3.461 . 0 0 "[ . 1 . 2]" 1
413 1 51 SER H 1 51 SER HA 3.000 . 3.500 2.921 2.909 2.932 . 0 0 "[ . 1 . 2]" 1
414 1 51 SER H 1 51 SER HB2 3.000 . 3.500 3.542 3.533 3.550 0.050 3 0 "[ . 1 . 2]" 1
415 1 51 SER H 1 51 SER HB3 3.000 . 3.500 2.460 2.324 2.588 . 0 0 "[ . 1 . 2]" 1
416 1 51 SER H 1 54 GLN H 4.000 . 5.000 4.182 3.845 4.569 . 0 0 "[ . 1 . 2]" 1
417 1 51 SER H 1 54 GLN QB 2.400 . 3.700 3.231 2.880 3.717 0.017 6 0 "[ . 1 . 2]" 1
418 1 51 SER H 1 54 GLN QG 4.000 . 6.000 3.766 3.038 4.374 . 0 0 "[ . 1 . 2]" 1
419 1 51 SER HA 1 51 SER HB2 2.400 . 2.700 2.436 2.383 2.499 . 0 0 "[ . 1 . 2]" 1
420 1 51 SER HA 1 51 SER HB3 2.400 . 2.700 2.507 2.442 2.570 . 0 0 "[ . 1 . 2]" 1
421 1 51 SER HA 1 52 LEU H 2.400 . 2.700 2.324 2.204 2.432 . 0 0 "[ . 1 . 2]" 1
422 1 51 SER HA 1 53 TYR H 4.000 . 5.000 4.237 3.910 4.402 . 0 0 "[ . 1 . 2]" 1
423 1 51 SER HA 1 55 LEU QD 3.000 . 6.800 4.384 4.013 4.872 . 0 0 "[ . 1 . 2]" 1
424 1 51 SER HB2 1 53 TYR H 3.000 . 3.500 3.053 2.759 3.269 . 0 0 "[ . 1 . 2]" 1
425 1 51 SER HB3 1 52 LEU H 4.000 . 5.000 4.059 3.854 4.361 . 0 0 "[ . 1 . 2]" 1
426 1 51 SER HB3 1 53 TYR H 4.000 . 5.000 4.594 4.380 4.828 . 0 0 "[ . 1 . 2]" 1
427 1 52 LEU H 1 52 LEU HA 2.400 . 2.700 2.833 2.819 2.839 0.139 14 0 "[ . 1 . 2]" 1
428 1 52 LEU H 1 52 LEU QB 2.400 . 3.700 2.171 2.158 2.183 . 0 0 "[ . 1 . 2]" 1
429 1 52 LEU H 1 53 TYR H 3.000 . 3.500 2.741 2.682 2.802 . 0 0 "[ . 1 . 2]" 1
430 1 52 LEU HA 1 52 LEU MD1 2.400 . 4.200 2.163 1.948 3.366 . 0 0 "[ . 1 . 2]" 1
431 1 52 LEU HA 1 52 LEU MD2 3.000 . 5.000 3.828 3.383 3.871 . 0 0 "[ . 1 . 2]" 1
432 1 52 LEU HA 1 53 TYR H 4.000 . 5.000 3.546 3.520 3.567 . 0 0 "[ . 1 . 2]" 1
433 1 52 LEU HA 1 55 LEU H 3.000 . 3.500 3.428 3.268 3.586 0.086 5 0 "[ . 1 . 2]" 1
434 1 52 LEU HA 1 55 LEU QB 3.000 . 4.500 2.622 2.332 2.895 . 0 0 "[ . 1 . 2]" 1
435 1 52 LEU HA 1 55 LEU HG 4.000 . 5.000 3.420 2.976 3.801 . 0 0 "[ . 1 . 2]" 1
436 1 52 LEU QB 1 52 LEU QD 2.400 . 7.000 1.909 1.875 1.939 . 0 0 "[ . 1 . 2]" 1
437 1 52 LEU QB 1 53 TYR H 2.400 . 3.700 2.572 2.488 2.826 . 0 0 "[ . 1 . 2]" 1
438 1 52 LEU MD1 1 53 TYR QB 4.000 . 7.500 5.550 5.427 5.762 . 0 0 "[ . 1 . 2]" 1
439 1 52 LEU MD2 1 53 TYR QB 4.000 . 7.500 4.817 3.930 5.292 . 0 0 "[ . 1 . 2]" 1
440 1 52 LEU HG 1 53 TYR HA 4.000 . 5.000 3.810 3.658 4.953 . 0 0 "[ . 1 . 2]" 1
441 1 53 TYR H 1 53 TYR HA 3.000 . 3.500 2.834 2.819 2.845 . 0 0 "[ . 1 . 2]" 1
442 1 53 TYR H 1 53 TYR HB2 2.400 . 2.700 2.383 2.310 2.451 . 0 0 "[ . 1 . 2]" 1
443 1 53 TYR H 1 53 TYR HB3 2.400 . 2.700 2.482 2.421 2.583 . 0 0 "[ . 1 . 2]" 1
444 1 53 TYR H 1 53 TYR QE 4.000 . 7.200 6.173 6.152 6.186 . 0 0 "[ . 1 . 2]" 1
445 1 53 TYR HA 1 53 TYR HB2 3.000 . 3.500 2.475 2.450 2.515 . 0 0 "[ . 1 . 2]" 1
446 1 53 TYR HA 1 53 TYR HB3 2.400 . 2.700 3.012 3.008 3.014 0.314 2 0 "[ . 1 . 2]" 1
447 1 53 TYR HA 1 53 TYR QD 3.000 . 5.700 2.926 2.644 3.059 . 0 0 "[ . 1 . 2]" 1
448 1 53 TYR HA 1 54 GLN H 4.000 . 5.000 3.572 3.555 3.585 . 0 0 "[ . 1 . 2]" 1
449 1 53 TYR HB2 1 53 TYR QD 3.000 . 5.700 2.402 2.348 2.521 . 0 0 "[ . 1 . 2]" 1
450 1 53 TYR HB2 1 54 GLN H 4.000 . 5.000 3.827 3.723 3.907 . 0 0 "[ . 1 . 2]" 1
451 1 53 TYR HB3 1 53 TYR QD 2.400 . 4.900 2.428 2.335 2.493 . 0 0 "[ . 1 . 2]" 1
452 1 53 TYR HB3 1 54 GLN H 3.000 . 3.500 2.500 2.405 2.579 . 0 0 "[ . 1 . 2]" 1
453 1 53 TYR QD 1 54 GLN HA 4.000 . 7.200 3.084 2.863 3.469 . 0 0 "[ . 1 . 2]" 1
454 1 53 TYR QD 1 54 GLN QB 4.000 . 8.200 4.353 4.196 4.588 . 0 0 "[ . 1 . 2]" 1
455 1 54 GLN H 1 54 GLN HA 3.000 . 3.500 2.887 2.873 2.898 . 0 0 "[ . 1 . 2]" 1
456 1 54 GLN H 1 54 GLN QB 3.000 . 4.500 2.273 2.252 2.366 . 0 0 "[ . 1 . 2]" 1
457 1 54 GLN H 1 54 GLN QG 3.000 . 4.500 2.213 2.034 2.267 . 0 0 "[ . 1 . 2]" 1
458 1 54 GLN H 1 55 LEU H 2.400 . 2.700 2.637 2.573 2.689 . 0 0 "[ . 1 . 2]" 1
459 1 54 GLN HA 1 54 GLN HB2 3.000 . 3.500 3.033 3.027 3.038 . 0 0 "[ . 1 . 2]" 1
460 1 54 GLN HA 1 54 GLN HB3 2.400 . 2.700 2.543 2.486 2.556 . 0 0 "[ . 1 . 2]" 1
461 1 54 GLN HA 1 54 GLN QG 3.000 . 4.500 2.351 2.296 2.826 . 0 0 "[ . 1 . 2]" 1
462 1 54 GLN HA 1 55 LEU H 4.000 . 5.000 3.569 3.557 3.587 . 0 0 "[ . 1 . 2]" 1
463 1 54 GLN HA 1 57 ASN H 4.000 . 5.000 3.453 3.326 3.617 . 0 0 "[ . 1 . 2]" 1
464 1 54 GLN HA 1 57 ASN QB 3.000 . 4.500 2.748 2.343 2.910 . 0 0 "[ . 1 . 2]" 1
465 1 54 GLN QB 1 54 GLN HE21 3.000 . 4.500 3.625 1.994 3.948 . 0 0 "[ . 1 . 2]" 1
466 1 54 GLN QB 1 55 LEU H 3.000 . 4.500 2.520 2.376 2.573 . 0 0 "[ . 1 . 2]" 1
467 1 54 GLN QB 1 56 GLU H 4.000 . 6.000 4.703 4.622 4.817 . 0 0 "[ . 1 . 2]" 1
468 1 54 GLN QG 1 55 LEU H 3.000 . 4.500 4.094 3.934 4.143 . 0 0 "[ . 1 . 2]" 1
469 1 54 GLN QG 1 56 GLU H 4.000 . 6.000 5.659 5.553 5.842 . 0 0 "[ . 1 . 2]" 1
470 1 54 GLN QG 1 57 ASN H 4.000 . 6.000 5.337 5.221 5.707 . 0 0 "[ . 1 . 2]" 1
471 1 55 LEU H 1 55 LEU HA 3.000 . 3.500 2.858 2.847 2.872 . 0 0 "[ . 1 . 2]" 1
472 1 55 LEU H 1 55 LEU HB2 3.000 . 3.500 2.353 2.314 2.419 . 0 0 "[ . 1 . 2]" 1
473 1 55 LEU H 1 55 LEU HB3 3.000 . 3.500 3.533 3.526 3.544 0.044 20 0 "[ . 1 . 2]" 1
474 1 55 LEU H 1 55 LEU QD 3.000 . 6.800 3.014 2.948 3.057 . 0 0 "[ . 1 . 2]" 1
475 1 55 LEU H 1 55 LEU HG 2.400 . 2.700 2.093 1.988 2.191 . 0 0 "[ . 1 . 2]" 1
476 1 55 LEU HA 1 55 LEU QD 2.400 . 6.000 2.057 1.939 2.214 . 0 0 "[ . 1 . 2]" 1
477 1 55 LEU HA 1 55 LEU HG 3.000 . 3.500 2.878 2.725 3.029 . 0 0 "[ . 1 . 2]" 1
478 1 55 LEU HA 1 56 GLU H 3.000 . 3.500 3.554 3.534 3.571 0.071 2 0 "[ . 1 . 2]" 1
479 1 55 LEU HA 1 57 ASN H 4.000 . 5.000 4.405 4.300 4.503 . 0 0 "[ . 1 . 2]" 1
480 1 55 LEU HA 1 58 TYR H 4.000 . 5.000 3.585 3.503 3.693 . 0 0 "[ . 1 . 2]" 1
481 1 55 LEU HA 1 58 TYR QE 3.000 . 5.700 3.854 3.172 4.368 . 0 0 "[ . 1 . 2]" 1
482 1 55 LEU QB 1 55 LEU QD 2.400 . 7.000 1.893 1.823 1.924 . 0 0 "[ . 1 . 2]" 1
483 1 55 LEU QB 1 56 GLU H 3.000 . 4.500 2.423 2.303 2.491 . 0 0 "[ . 1 . 2]" 1
484 1 55 LEU HB2 1 58 TYR QE 4.000 . 8.200 6.214 5.401 6.812 . 0 0 "[ . 1 . 2]" 1
485 1 55 LEU QD 1 56 GLU H 4.000 . 8.300 3.981 3.920 4.036 . 0 0 "[ . 1 . 2]" 1
486 1 55 LEU QD 1 56 GLU QB 4.000 . 9.300 5.277 5.210 5.334 . 0 0 "[ . 1 . 2]" 1
487 1 55 LEU QD 1 58 TYR QE 3.000 . 9.000 3.548 2.599 4.385 . 0 0 "[ . 1 . 2]" 1
488 1 56 GLU H 1 56 GLU QB 3.000 . 4.500 2.282 2.236 2.295 . 0 0 "[ . 1 . 2]" 1
489 1 56 GLU H 1 56 GLU QG 3.000 . 4.500 2.155 2.127 2.255 . 0 0 "[ . 1 . 2]" 1
490 1 56 GLU H 1 57 ASN H 2.400 . 2.700 2.728 2.691 2.770 0.070 6 0 "[ . 1 . 2]" 1
491 1 56 GLU HA 1 56 GLU HB2 3.000 . 3.500 3.031 3.026 3.036 . 0 0 "[ . 1 . 2]" 1
492 1 56 GLU HA 1 56 GLU HB3 2.400 . 2.700 2.550 2.543 2.577 . 0 0 "[ . 1 . 2]" 1
493 1 56 GLU HA 1 56 GLU QG 3.000 . 4.500 2.333 2.278 2.696 . 0 0 "[ . 1 . 2]" 1
494 1 56 GLU QB 1 57 ASN H 3.000 . 4.500 2.514 2.478 2.551 . 0 0 "[ . 1 . 2]" 1
495 1 57 ASN H 1 57 ASN HA 3.000 . 3.500 2.861 2.847 2.878 . 0 0 "[ . 1 . 2]" 1
496 1 57 ASN H 1 57 ASN QB 2.400 . 3.700 2.198 2.122 2.337 . 0 0 "[ . 1 . 2]" 1
497 1 57 ASN H 1 57 ASN QD 4.000 . 5.000 4.295 3.362 4.666 . 0 0 "[ . 1 . 2]" 1
498 1 58 TYR H 1 58 TYR HA 3.000 . 3.500 2.858 2.844 2.894 . 0 0 "[ . 1 . 2]" 1
499 1 58 TYR H 1 58 TYR HB2 2.400 . 2.700 2.342 2.191 2.499 . 0 0 "[ . 1 . 2]" 1
500 1 58 TYR H 1 58 TYR HB3 4.000 . 5.000 3.531 3.498 3.555 . 0 0 "[ . 1 . 2]" 1
501 1 58 TYR H 1 59 CYS H 3.000 . 3.500 2.715 2.591 2.803 . 0 0 "[ . 1 . 2]" 1
502 1 58 TYR HA 1 58 TYR QD 3.000 . 5.700 2.104 1.959 2.347 . 0 0 "[ . 1 . 2]" 1
503 1 58 TYR HB3 1 60 ASN H 4.000 . 5.000 5.193 5.094 5.297 0.297 5 0 "[ . 1 . 2]" 1
504 1 59 CYS H 1 59 CYS HA 3.000 . 3.500 2.953 2.946 2.959 . 0 0 "[ . 1 . 2]" 1
505 1 59 CYS H 1 59 CYS QB 3.000 . 4.500 2.189 2.068 2.266 . 0 0 "[ . 1 . 2]" 1
506 1 59 CYS HA 1 59 CYS HB2 3.000 . 3.500 2.645 2.503 2.994 . 0 0 "[ . 1 . 2]" 1
507 1 59 CYS HA 1 59 CYS HB3 3.000 . 3.500 2.967 2.647 3.040 . 0 0 "[ . 1 . 2]" 1
508 1 60 ASN H 1 60 ASN HA 3.000 . 3.500 2.896 2.880 2.910 . 0 0 "[ . 1 . 2]" 1
509 1 60 ASN H 1 60 ASN QB 3.000 . 4.500 2.165 2.070 2.365 . 0 0 "[ . 1 . 2]" 1
510 1 60 ASN HA 1 60 ASN HB3 2.400 . 2.700 2.614 2.495 2.690 . 0 0 "[ . 1 . 2]" 1
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