NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
529350 |
2lk5   |
17979 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lk5
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 695
_Distance_constraint_stats_list.Viol_count 2975
_Distance_constraint_stats_list.Viol_total 8392.320
_Distance_constraint_stats_list.Viol_max 0.440
_Distance_constraint_stats_list.Viol_rms 0.0467
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0144
_Distance_constraint_stats_list.Viol_average_violations_only 0.0973
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 2 ASN 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 3 GLU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 5 ASP 1.203 0.127 15 0 "[ . 1 . 2 . ]"
1 6 VAL 4.640 0.228 24 0 "[ . 1 . 2 . ]"
1 7 TYR 17.432 0.274 24 0 "[ . 1 . 2 . ]"
1 8 LYS 2.899 0.131 7 0 "[ . 1 . 2 . ]"
1 9 CYS 5.968 0.155 18 0 "[ . 1 . 2 . ]"
1 10 GLU 2.348 0.162 24 0 "[ . 1 . 2 . ]"
1 11 LEU 2.461 0.219 5 0 "[ . 1 . 2 . ]"
1 12 CYS 7.670 0.311 18 0 "[ . 1 . 2 . ]"
1 13 GLY 1.376 0.101 21 0 "[ . 1 . 2 . ]"
1 14 GLN 8.684 0.219 11 0 "[ . 1 . 2 . ]"
1 15 VAL 13.178 0.227 22 0 "[ . 1 . 2 . ]"
1 16 VAL 10.840 0.184 9 0 "[ . 1 . 2 . ]"
1 17 LYS 14.388 0.198 13 0 "[ . 1 . 2 . ]"
1 18 VAL 15.685 0.328 23 0 "[ . 1 . 2 . ]"
1 19 LEU 9.878 0.328 23 0 "[ . 1 . 2 . ]"
1 20 GLU 14.586 0.275 1 0 "[ . 1 . 2 . ]"
1 21 GLU 0.439 0.079 9 0 "[ . 1 . 2 . ]"
1 22 GLY 0.439 0.079 9 0 "[ . 1 . 2 . ]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 24 GLY 0.075 0.057 9 0 "[ . 1 . 2 . ]"
1 25 THR 0.271 0.048 2 0 "[ . 1 . 2 . ]"
1 26 LEU 4.143 0.142 20 0 "[ . 1 . 2 . ]"
1 27 VAL 8.702 0.241 8 0 "[ . 1 . 2 . ]"
1 28 CYS 23.370 0.426 26 0 "[ . 1 . 2 . ]"
1 29 CYS 3.793 0.258 8 0 "[ . 1 . 2 . ]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 31 GLU 2.736 0.203 7 0 "[ . 1 . 2 . ]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 33 MET 23.268 0.440 20 0 "[ . 1 . 2 . ]"
1 34 VAL 7.744 0.183 8 0 "[ . 1 . 2 . ]"
1 35 LYS 7.839 0.274 24 0 "[ . 1 . 2 . ]"
1 36 GLN 8.042 0.284 18 0 "[ . 1 . 2 . ]"
2 1 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 2 ASN 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 3 GLU 0.117 0.056 11 0 "[ . 1 . 2 . ]"
2 4 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 5 ASP 1.815 0.204 25 0 "[ . 1 . 2 . ]"
2 6 VAL 5.928 0.198 12 0 "[ . 1 . 2 . ]"
2 7 TYR 18.685 0.262 12 0 "[ . 1 . 2 . ]"
2 8 LYS 8.982 0.391 23 0 "[ . 1 . 2 . ]"
2 9 CYS 4.620 0.136 26 0 "[ . 1 . 2 . ]"
2 10 GLU 0.760 0.080 19 0 "[ . 1 . 2 . ]"
2 11 LEU 3.368 0.211 22 0 "[ . 1 . 2 . ]"
2 12 CYS 6.057 0.213 17 0 "[ . 1 . 2 . ]"
2 13 GLY 1.506 0.122 19 0 "[ . 1 . 2 . ]"
2 14 GLN 8.808 0.208 25 0 "[ . 1 . 2 . ]"
2 15 VAL 14.416 0.275 1 0 "[ . 1 . 2 . ]"
2 16 VAL 13.302 0.197 8 0 "[ . 1 . 2 . ]"
2 17 LYS 15.219 0.208 13 0 "[ . 1 . 2 . ]"
2 18 VAL 12.779 0.243 3 0 "[ . 1 . 2 . ]"
2 19 LEU 7.965 0.243 3 0 "[ . 1 . 2 . ]"
2 20 GLU 13.996 0.227 22 0 "[ . 1 . 2 . ]"
2 21 GLU 0.877 0.119 22 0 "[ . 1 . 2 . ]"
2 22 GLY 0.877 0.119 22 0 "[ . 1 . 2 . ]"
2 23 GLY 0.354 0.311 18 0 "[ . 1 . 2 . ]"
2 24 GLY 0.280 0.059 18 0 "[ . 1 . 2 . ]"
2 25 THR 0.080 0.050 18 0 "[ . 1 . 2 . ]"
2 26 LEU 5.055 0.190 24 0 "[ . 1 . 2 . ]"
2 27 VAL 9.566 0.220 27 0 "[ . 1 . 2 . ]"
2 28 CYS 10.350 0.326 5 0 "[ . 1 . 2 . ]"
2 29 CYS 4.129 0.213 17 0 "[ . 1 . 2 . ]"
2 30 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 31 GLU 1.372 0.184 17 0 "[ . 1 . 2 . ]"
2 32 ASP 0.014 0.014 9 0 "[ . 1 . 2 . ]"
2 33 MET 37.095 0.400 4 0 "[ . 1 . 2 . ]"
2 34 VAL 10.261 0.226 23 0 "[ . 1 . 2 . ]"
2 35 LYS 7.024 0.262 12 0 "[ . 1 . 2 . ]"
2 36 GLN 9.616 0.319 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 ALA MB 1 5 ASP HB2 . . 6.000 3.395 2.543 4.077 . 0 0 "[ . 1 . 2 . ]" 1
2 1 1 ALA MB 1 7 TYR HD1 . . 6.000 3.986 3.571 4.591 . 0 0 "[ . 1 . 2 . ]" 1
3 1 1 ALA MB 1 7 TYR HE1 . . 3.400 2.434 1.971 2.828 . 0 0 "[ . 1 . 2 . ]" 1
4 1 1 ALA MB 1 21 GLU HA . . 6.000 4.145 3.372 5.042 . 0 0 "[ . 1 . 2 . ]" 1
5 1 1 ALA MB 1 26 LEU MD1 . . 7.000 3.469 2.157 4.572 . 0 0 "[ . 1 . 2 . ]" 1
6 1 1 ALA MB 2 14 GLN HE22 . . 6.000 4.867 4.411 5.136 . 0 0 "[ . 1 . 2 . ]" 1
7 1 2 ASN HA 1 3 GLU QB . . 4.900 4.156 4.110 4.229 . 0 0 "[ . 1 . 2 . ]" 1
8 1 2 ASN QB 1 3 GLU H . . 4.500 3.387 2.924 3.833 . 0 0 "[ . 1 . 2 . ]" 1
9 1 3 GLU H 1 3 GLU QB . . 3.000 2.215 2.192 2.283 . 0 0 "[ . 1 . 2 . ]" 1
10 1 3 GLU H 1 3 GLU HG3 . . 4.500 4.427 4.336 4.491 . 0 0 "[ . 1 . 2 . ]" 1
11 1 3 GLU HA 1 3 GLU HG3 . . 4.000 2.646 2.451 2.791 . 0 0 "[ . 1 . 2 . ]" 1
12 1 3 GLU HA 1 4 GLY H . . 2.500 2.266 2.202 2.375 . 0 0 "[ . 1 . 2 . ]" 1
13 1 3 GLU HA 1 18 VAL HB . . 4.100 3.367 2.673 4.054 . 0 0 "[ . 1 . 2 . ]" 1
14 1 3 GLU HA 1 18 VAL MG1 . . 3.500 2.443 1.927 2.787 . 0 0 "[ . 1 . 2 . ]" 1
15 1 3 GLU QB 1 4 GLY H . . 4.400 3.744 3.521 4.010 . 0 0 "[ . 1 . 2 . ]" 1
16 1 4 GLY H 1 5 ASP H . . 3.200 2.271 1.964 2.452 . 0 0 "[ . 1 . 2 . ]" 1
17 1 4 GLY HA2 1 5 ASP H . . 3.400 3.259 3.083 3.390 . 0 0 "[ . 1 . 2 . ]" 1
18 1 4 GLY HA2 1 6 VAL MG2 . . 6.000 4.811 4.279 4.921 . 0 0 "[ . 1 . 2 . ]" 1
19 1 4 GLY HA2 1 17 LYS QB . . 6.000 5.318 4.963 5.469 . 0 0 "[ . 1 . 2 . ]" 1
20 1 4 GLY HA2 1 17 LYS QE . . 6.000 3.044 1.782 3.952 . 0 0 "[ . 1 . 2 . ]" 1
21 1 4 GLY HA2 1 17 LYS QG . . 6.000 3.510 3.052 3.858 . 0 0 "[ . 1 . 2 . ]" 1
22 1 4 GLY HA3 1 17 LYS QE . . 6.000 4.404 3.240 5.408 . 0 0 "[ . 1 . 2 . ]" 1
23 1 5 ASP H 1 5 ASP HB2 . . 2.800 2.268 2.116 2.658 . 0 0 "[ . 1 . 2 . ]" 1
24 1 5 ASP H 1 5 ASP HB3 . . 3.500 3.489 3.276 3.627 0.127 15 0 "[ . 1 . 2 . ]" 1
25 1 5 ASP H 1 18 VAL H . . 3.400 3.305 3.086 3.433 0.033 1 0 "[ . 1 . 2 . ]" 1
26 1 5 ASP H 1 18 VAL HB . . 3.700 2.529 1.970 2.959 . 0 0 "[ . 1 . 2 . ]" 1
27 1 5 ASP H 1 18 VAL MG1 . . 6.000 3.592 2.818 4.064 . 0 0 "[ . 1 . 2 . ]" 1
28 1 5 ASP H 1 18 VAL MG2 . . 6.000 3.876 3.321 4.421 . 0 0 "[ . 1 . 2 . ]" 1
29 1 5 ASP HA 1 6 VAL H . . 3.200 2.389 2.260 2.454 . 0 0 "[ . 1 . 2 . ]" 1
30 1 5 ASP HB2 1 6 VAL H . . 4.100 4.104 4.012 4.152 0.052 26 0 "[ . 1 . 2 . ]" 1
31 1 5 ASP HB2 1 7 TYR HD1 . . 4.900 3.974 3.228 4.376 . 0 0 "[ . 1 . 2 . ]" 1
32 1 5 ASP HB2 1 7 TYR HE1 . . 3.900 3.058 2.443 3.667 . 0 0 "[ . 1 . 2 . ]" 1
33 1 5 ASP HB2 1 18 VAL MG2 . . 4.600 3.127 2.065 3.616 . 0 0 "[ . 1 . 2 . ]" 1
34 1 5 ASP HB3 1 6 VAL H . . 3.500 2.897 2.808 3.443 . 0 0 "[ . 1 . 2 . ]" 1
35 1 5 ASP HB3 1 7 TYR HD1 . . 4.900 3.087 2.842 3.455 . 0 0 "[ . 1 . 2 . ]" 1
36 1 5 ASP HB3 1 7 TYR HE1 . . 3.800 2.410 1.990 2.782 . 0 0 "[ . 1 . 2 . ]" 1
37 1 5 ASP O 1 18 VAL H . . 2.000 1.949 1.783 2.054 0.054 21 0 "[ . 1 . 2 . ]" 1
38 1 5 ASP O 1 18 VAL N . . 3.000 2.776 2.672 2.869 . 0 0 "[ . 1 . 2 . ]" 1
39 1 6 VAL H 1 6 VAL HB . . 2.400 2.362 2.258 2.418 0.018 29 0 "[ . 1 . 2 . ]" 1
40 1 6 VAL H 1 7 TYR HA . . 5.000 4.919 4.827 5.113 0.113 15 0 "[ . 1 . 2 . ]" 1
41 1 6 VAL H 1 7 TYR HD1 . . 5.000 3.809 3.672 3.975 . 0 0 "[ . 1 . 2 . ]" 1
42 1 6 VAL H 1 7 TYR HE1 . . 5.000 4.745 4.444 5.021 0.021 28 0 "[ . 1 . 2 . ]" 1
43 1 6 VAL HA 1 7 TYR H . . 2.800 2.265 2.218 2.306 . 0 0 "[ . 1 . 2 . ]" 1
44 1 6 VAL HA 1 17 LYS HA . . 2.400 2.103 2.013 2.265 . 0 0 "[ . 1 . 2 . ]" 1
45 1 6 VAL HA 1 17 LYS QG . . 6.000 3.156 2.804 3.509 . 0 0 "[ . 1 . 2 . ]" 1
46 1 6 VAL HB 1 7 TYR HD1 . . 5.000 5.113 5.060 5.228 0.228 24 0 "[ . 1 . 2 . ]" 1
47 1 6 VAL MG1 1 7 TYR H . . 3.400 2.289 1.980 2.618 . 0 0 "[ . 1 . 2 . ]" 1
48 1 6 VAL MG1 1 17 LYS HA . . 5.200 3.609 3.298 3.842 . 0 0 "[ . 1 . 2 . ]" 1
49 1 6 VAL MG1 1 36 GLN HE22 . . 6.000 4.952 4.875 5.100 . 0 0 "[ . 1 . 2 . ]" 1
50 1 6 VAL MG1 1 36 GLN HG2 . . 6.000 2.595 2.159 3.059 . 0 0 "[ . 1 . 2 . ]" 1
51 1 6 VAL MG1 1 36 GLN HG3 . . 3.400 1.935 1.868 2.180 . 0 0 "[ . 1 . 2 . ]" 1
52 1 6 VAL MG2 1 17 LYS HA . . 3.400 2.618 2.342 2.713 . 0 0 "[ . 1 . 2 . ]" 1
53 1 6 VAL MG2 1 17 LYS QE . . 7.000 3.484 2.116 4.747 . 0 0 "[ . 1 . 2 . ]" 1
54 1 6 VAL O 1 36 GLN H . . 2.000 1.962 1.759 2.101 0.101 24 0 "[ . 1 . 2 . ]" 1
55 1 6 VAL O 1 36 GLN N . . 3.000 2.941 2.743 3.051 0.051 1 0 "[ . 1 . 2 . ]" 1
56 1 7 TYR H 1 7 TYR HB2 . . 2.500 2.306 2.261 2.372 . 0 0 "[ . 1 . 2 . ]" 1
57 1 7 TYR H 1 7 TYR HB3 . . 3.300 3.477 3.441 3.549 0.249 4 0 "[ . 1 . 2 . ]" 1
58 1 7 TYR H 1 7 TYR HD1 . . 5.000 3.056 2.771 3.264 . 0 0 "[ . 1 . 2 . ]" 1
59 1 7 TYR H 1 15 VAL QG . . 7.400 3.656 3.417 3.884 . 0 0 "[ . 1 . 2 . ]" 1
60 1 7 TYR H 1 16 VAL H . . 2.800 2.869 2.808 2.965 0.165 18 0 "[ . 1 . 2 . ]" 1
61 1 7 TYR H 1 16 VAL O . . 2.000 1.826 1.781 1.893 . 0 0 "[ . 1 . 2 . ]" 1
62 1 7 TYR H 1 17 LYS HA . . 3.200 3.293 3.221 3.386 0.186 23 0 "[ . 1 . 2 . ]" 1
63 1 7 TYR H 1 17 LYS QB . . 6.000 4.979 4.829 5.155 . 0 0 "[ . 1 . 2 . ]" 1
64 1 7 TYR HA 1 8 LYS H . . 3.300 2.249 2.198 2.384 . 0 0 "[ . 1 . 2 . ]" 1
65 1 7 TYR HA 1 8 LYS QB . . 5.400 3.970 3.912 4.016 . 0 0 "[ . 1 . 2 . ]" 1
66 1 7 TYR HA 1 35 LYS HA . . 2.400 2.054 1.704 2.413 0.013 1 0 "[ . 1 . 2 . ]" 1
67 1 7 TYR HA 1 35 LYS QG . . 6.000 4.680 3.339 5.285 . 0 0 "[ . 1 . 2 . ]" 1
68 1 7 TYR HA 1 36 GLN HG2 . . 4.600 2.698 2.337 3.394 . 0 0 "[ . 1 . 2 . ]" 1
69 1 7 TYR HB2 1 7 TYR HD1 . . 3.600 2.733 2.667 2.801 . 0 0 "[ . 1 . 2 . ]" 1
70 1 7 TYR HB2 1 7 TYR HE1 . . 5.000 4.922 4.886 4.959 . 0 0 "[ . 1 . 2 . ]" 1
71 1 7 TYR HB2 1 8 LYS H . . 4.700 4.355 4.095 4.514 . 0 0 "[ . 1 . 2 . ]" 1
72 1 7 TYR HB2 1 26 LEU MD1 . . 5.600 2.809 2.272 3.333 . 0 0 "[ . 1 . 2 . ]" 1
73 1 7 TYR HB3 1 7 TYR HD2 . . 3.500 2.315 2.310 2.327 . 0 0 "[ . 1 . 2 . ]" 1
74 1 7 TYR HB3 1 8 LYS H . . 4.100 3.269 2.818 3.564 . 0 0 "[ . 1 . 2 . ]" 1
75 1 7 TYR HB3 1 16 VAL MG2 . . 4.800 3.230 3.045 3.468 . 0 0 "[ . 1 . 2 . ]" 1
76 1 7 TYR HB3 1 26 LEU MD1 . . 6.000 3.203 2.693 3.767 . 0 0 "[ . 1 . 2 . ]" 1
77 1 7 TYR HB3 1 33 MET HB3 . . 3.500 2.348 2.078 2.589 . 0 0 "[ . 1 . 2 . ]" 1
78 1 7 TYR HB3 1 33 MET ME . . 6.000 2.685 1.841 3.827 . 0 0 "[ . 1 . 2 . ]" 1
79 1 7 TYR HD1 1 16 VAL MG2 . . 6.000 4.653 4.301 4.894 . 0 0 "[ . 1 . 2 . ]" 1
80 1 7 TYR HD1 1 18 VAL MG2 . . 4.200 2.687 2.341 3.034 . 0 0 "[ . 1 . 2 . ]" 1
81 1 7 TYR HD1 1 26 LEU MD1 . . 5.700 3.890 3.195 4.223 . 0 0 "[ . 1 . 2 . ]" 1
82 1 7 TYR HD1 1 35 LYS HA . . 5.000 3.625 3.254 4.094 . 0 0 "[ . 1 . 2 . ]" 1
83 1 7 TYR HD1 1 35 LYS QG . . 6.000 4.769 2.930 5.485 . 0 0 "[ . 1 . 2 . ]" 1
84 1 7 TYR HD2 1 8 LYS H . . 4.600 4.370 3.939 4.586 . 0 0 "[ . 1 . 2 . ]" 1
85 1 7 TYR HD2 1 26 LEU HG . . 5.000 5.021 4.652 5.141 0.141 5 0 "[ . 1 . 2 . ]" 1
86 1 7 TYR HD2 1 33 MET HB3 . . 4.000 2.372 1.981 2.858 . 0 0 "[ . 1 . 2 . ]" 1
87 1 7 TYR HD2 1 33 MET ME . . 5.400 3.732 3.053 4.410 . 0 0 "[ . 1 . 2 . ]" 1
88 1 7 TYR HD2 1 34 VAL H . . 5.000 4.057 3.498 4.539 . 0 0 "[ . 1 . 2 . ]" 1
89 1 7 TYR HD2 1 34 VAL HA . . 5.000 3.790 3.523 4.154 . 0 0 "[ . 1 . 2 . ]" 1
90 1 7 TYR HE1 1 26 LEU MD1 . . 6.000 4.569 3.935 4.951 . 0 0 "[ . 1 . 2 . ]" 1
91 1 7 TYR HE1 1 35 LYS HA . . 5.000 4.356 4.002 4.872 . 0 0 "[ . 1 . 2 . ]" 1
92 1 7 TYR HE1 1 35 LYS QE . . 6.000 3.789 2.536 5.662 . 0 0 "[ . 1 . 2 . ]" 1
93 1 7 TYR HE2 1 35 LYS H . . 4.300 4.405 4.349 4.574 0.274 24 0 "[ . 1 . 2 . ]" 1
94 1 7 TYR HE2 1 35 LYS QB . . 6.000 2.784 2.543 3.458 . 0 0 "[ . 1 . 2 . ]" 1
95 1 7 TYR HE2 1 35 LYS QG . . 5.000 4.382 4.056 4.610 . 0 0 "[ . 1 . 2 . ]" 1
96 1 7 TYR N 1 16 VAL O . . 3.000 2.780 2.719 2.848 . 0 0 "[ . 1 . 2 . ]" 1
97 1 7 TYR O 1 16 VAL H . . 2.000 1.936 1.801 2.039 0.039 24 0 "[ . 1 . 2 . ]" 1
98 1 7 TYR O 1 16 VAL N . . 3.000 2.891 2.747 2.994 . 0 0 "[ . 1 . 2 . ]" 1
99 1 8 LYS H 1 9 CYS H . . 4.800 4.463 4.346 4.544 . 0 0 "[ . 1 . 2 . ]" 1
100 1 8 LYS H 1 34 VAL O . . 2.000 1.995 1.865 2.060 0.060 8 0 "[ . 1 . 2 . ]" 1
101 1 8 LYS H 1 36 GLN HG2 . . 5.000 3.324 3.015 3.801 . 0 0 "[ . 1 . 2 . ]" 1
102 1 8 LYS HA 1 9 CYS H . . 3.000 2.345 2.191 2.489 . 0 0 "[ . 1 . 2 . ]" 1
103 1 8 LYS HA 1 15 VAL HA . . 2.400 2.309 2.042 2.489 0.089 10 0 "[ . 1 . 2 . ]" 1
104 1 8 LYS HA 1 16 VAL H . . 4.500 3.550 3.411 3.755 . 0 0 "[ . 1 . 2 . ]" 1
105 1 8 LYS HA 1 33 MET HB3 . . 5.000 5.061 4.952 5.131 0.131 7 0 "[ . 1 . 2 . ]" 1
106 1 8 LYS QB 1 9 CYS H . . 4.400 3.502 3.205 3.821 . 0 0 "[ . 1 . 2 . ]" 1
107 1 8 LYS QB 1 15 VAL HA . . 6.000 3.474 2.891 3.847 . 0 0 "[ . 1 . 2 . ]" 1
108 1 8 LYS QB 1 15 VAL QG . . 6.100 2.460 1.868 3.044 . 0 0 "[ . 1 . 2 . ]" 1
109 1 8 LYS QB 1 16 VAL H . . 6.000 4.625 4.189 4.886 . 0 0 "[ . 1 . 2 . ]" 1
110 1 8 LYS QB 1 36 GLN HE21 . . 6.000 2.520 2.338 2.864 . 0 0 "[ . 1 . 2 . ]" 1
111 1 8 LYS QB 1 36 GLN HE22 . . 6.000 1.938 1.819 2.409 . 0 0 "[ . 1 . 2 . ]" 1
112 1 8 LYS QD 1 9 CYS H . . 6.000 4.368 4.085 4.898 . 0 0 "[ . 1 . 2 . ]" 1
113 1 8 LYS QD 1 15 VAL HA . . 6.000 4.269 3.935 4.599 . 0 0 "[ . 1 . 2 . ]" 1
114 1 8 LYS QD 1 36 GLN HE21 . . 6.000 4.289 4.086 4.734 . 0 0 "[ . 1 . 2 . ]" 1
115 1 8 LYS QD 1 36 GLN HG3 . . 5.900 4.600 4.221 5.063 . 0 0 "[ . 1 . 2 . ]" 1
116 1 8 LYS QE 1 9 CYS H . . 6.000 4.060 3.573 4.844 . 0 0 "[ . 1 . 2 . ]" 1
117 1 8 LYS QE 1 9 CYS HB3 . . 6.000 4.844 4.354 5.384 . 0 0 "[ . 1 . 2 . ]" 1
118 1 8 LYS QE 1 10 GLU HA . . 6.000 3.515 2.304 4.981 . 0 0 "[ . 1 . 2 . ]" 1
119 1 8 LYS QE 1 13 GLY HA2 . . 6.000 2.339 1.953 2.959 . 0 0 "[ . 1 . 2 . ]" 1
120 1 8 LYS QE 1 15 VAL QG . . 8.400 2.848 1.807 3.515 . 0 0 "[ . 1 . 2 . ]" 1
121 1 8 LYS QE 1 36 GLN HE22 . . 6.000 4.718 3.729 5.476 . 0 0 "[ . 1 . 2 . ]" 1
122 1 8 LYS N 1 34 VAL O . . 3.000 2.721 2.554 2.815 . 0 0 "[ . 1 . 2 . ]" 1
123 1 8 LYS O 1 34 VAL H . . 2.000 1.927 1.756 2.086 0.086 13 0 "[ . 1 . 2 . ]" 1
124 1 8 LYS O 1 34 VAL N . . 3.000 2.757 2.604 2.967 . 0 0 "[ . 1 . 2 . ]" 1
125 1 9 CYS H 1 9 CYS HB2 . . 3.300 2.630 2.407 2.838 . 0 0 "[ . 1 . 2 . ]" 1
126 1 9 CYS H 1 9 CYS HB3 . . 3.200 2.487 2.368 2.694 . 0 0 "[ . 1 . 2 . ]" 1
127 1 9 CYS H 1 14 GLN H . . 3.800 2.905 2.474 3.307 . 0 0 "[ . 1 . 2 . ]" 1
128 1 9 CYS H 1 14 GLN O . . 2.000 1.997 1.789 2.144 0.144 27 0 "[ . 1 . 2 . ]" 1
129 1 9 CYS HA 1 9 CYS HB2 . . 2.900 2.457 2.405 2.589 . 0 0 "[ . 1 . 2 . ]" 1
130 1 9 CYS HB2 1 13 GLY H . . 3.900 3.929 3.645 4.001 0.101 21 0 "[ . 1 . 2 . ]" 1
131 1 9 CYS HB2 1 33 MET QG . . 3.500 2.920 2.474 3.340 . 0 0 "[ . 1 . 2 . ]" 1
132 1 9 CYS HB3 1 13 GLY H . . 3.300 2.267 1.997 2.373 . 0 0 "[ . 1 . 2 . ]" 1
133 1 9 CYS HB3 1 14 GLN H . . 4.400 2.032 1.761 2.341 . 0 0 "[ . 1 . 2 . ]" 1
134 1 9 CYS HB3 1 33 MET QG . . 6.000 4.274 3.963 4.740 . 0 0 "[ . 1 . 2 . ]" 1
135 1 9 CYS N 1 14 GLN O . . 3.000 2.837 2.734 2.919 . 0 0 "[ . 1 . 2 . ]" 1
136 1 9 CYS SG 1 12 CYS H . . 2.900 2.924 2.813 3.041 0.141 26 0 "[ . 1 . 2 . ]" 1
137 1 9 CYS SG 1 12 CYS N . . 3.800 3.827 3.773 3.907 0.107 9 0 "[ . 1 . 2 . ]" 1
138 1 9 CYS SG 1 12 CYS SG . . 3.780 3.568 3.505 3.633 . 0 0 "[ . 1 . 2 . ]" 1
139 1 9 CYS SG 1 28 CYS SG . . 3.760 3.651 3.566 3.798 0.038 20 0 "[ . 1 . 2 . ]" 1
140 1 9 CYS SG 1 29 CYS SG . . 3.790 3.814 3.361 3.945 0.155 18 0 "[ . 1 . 2 . ]" 1
141 1 10 GLU H 1 10 GLU QB . . 3.600 2.925 2.213 3.376 . 0 0 "[ . 1 . 2 . ]" 1
142 1 10 GLU H 1 10 GLU HG2 . . 3.700 2.987 2.673 3.402 . 0 0 "[ . 1 . 2 . ]" 1
143 1 10 GLU H 1 10 GLU HG3 . . 4.200 4.222 3.897 4.362 0.162 24 0 "[ . 1 . 2 . ]" 1
144 1 10 GLU H 1 11 LEU H . . 3.100 2.705 2.381 3.103 0.003 15 0 "[ . 1 . 2 . ]" 1
145 1 10 GLU H 1 34 VAL MG2 . . 6.000 4.011 2.801 4.696 . 0 0 "[ . 1 . 2 . ]" 1
146 1 10 GLU HA 1 10 GLU HG2 . . 2.900 2.512 2.065 2.935 0.035 3 0 "[ . 1 . 2 . ]" 1
147 1 10 GLU HG2 1 11 LEU H . . 5.000 4.938 4.683 5.079 0.079 18 0 "[ . 1 . 2 . ]" 1
148 1 10 GLU HG2 1 34 VAL MG1 . . 4.600 3.862 3.738 3.940 . 0 0 "[ . 1 . 2 . ]" 1
149 1 10 GLU HG2 1 34 VAL MG2 . . 5.700 2.709 1.867 3.369 . 0 0 "[ . 1 . 2 . ]" 1
150 1 10 GLU HG3 1 34 VAL MG2 . . 4.600 1.999 1.876 2.434 . 0 0 "[ . 1 . 2 . ]" 1
151 1 11 LEU H 1 11 LEU QB . . 3.800 2.551 2.360 2.788 . 0 0 "[ . 1 . 2 . ]" 1
152 1 11 LEU H 1 11 LEU HG . . 3.900 3.588 2.900 4.119 0.219 5 0 "[ . 1 . 2 . ]" 1
153 1 11 LEU H 1 12 CYS H . . 2.800 2.708 2.421 2.845 0.045 16 0 "[ . 1 . 2 . ]" 1
154 1 11 LEU H 1 13 GLY H . . 3.900 2.616 2.086 3.218 . 0 0 "[ . 1 . 2 . ]" 1
155 1 11 LEU HA 1 11 LEU HG . . 3.300 3.086 2.826 3.394 0.094 8 0 "[ . 1 . 2 . ]" 1
156 1 11 LEU QB 1 12 CYS H . . 4.600 2.113 1.898 2.505 . 0 0 "[ . 1 . 2 . ]" 1
157 1 11 LEU QB 1 13 GLY H . . 4.800 3.974 3.782 4.173 . 0 0 "[ . 1 . 2 . ]" 1
158 1 11 LEU QB 1 29 CYS QB . . 6.900 3.002 2.232 5.228 . 0 0 "[ . 1 . 2 . ]" 1
159 1 11 LEU QD 1 29 CYS HA . . 7.400 4.500 3.646 4.968 . 0 0 "[ . 1 . 2 . ]" 1
160 1 11 LEU QD 1 29 CYS QB . . 8.400 2.317 1.681 3.317 . 0 0 "[ . 1 . 2 . ]" 1
161 1 11 LEU HG 1 12 CYS H . . 4.400 3.969 2.170 4.489 0.089 18 0 "[ . 1 . 2 . ]" 1
162 1 11 LEU HG 1 29 CYS QB . . 5.600 4.304 3.555 5.185 . 0 0 "[ . 1 . 2 . ]" 1
163 1 12 CYS H 1 12 CYS HB2 . . 4.000 3.561 3.537 3.579 . 0 0 "[ . 1 . 2 . ]" 1
164 1 12 CYS H 1 13 GLY H . . 2.700 2.609 2.448 2.708 0.008 27 0 "[ . 1 . 2 . ]" 1
165 1 12 CYS H 1 14 GLN H . . 4.200 4.112 3.942 4.216 0.016 3 0 "[ . 1 . 2 . ]" 1
166 1 12 CYS HA 1 12 CYS HB2 . . 2.700 2.444 2.355 2.555 . 0 0 "[ . 1 . 2 . ]" 1
167 1 12 CYS HA 1 12 CYS HB3 . . 2.700 2.405 2.312 2.496 . 0 0 "[ . 1 . 2 . ]" 1
168 1 12 CYS HB2 2 23 GLY H . . 5.000 2.673 1.905 3.842 . 0 0 "[ . 1 . 2 . ]" 1
169 1 12 CYS HB2 2 24 GLY H . . 5.000 4.439 3.677 5.059 0.059 18 0 "[ . 1 . 2 . ]" 1
170 1 12 CYS HB3 2 23 GLY H . . 4.300 3.580 2.967 4.611 0.311 18 0 "[ . 1 . 2 . ]" 1
171 1 12 CYS HB3 2 24 GLY H . . 5.000 4.455 3.540 5.041 0.041 9 0 "[ . 1 . 2 . ]" 1
172 1 12 CYS SG 1 14 GLN H . . 2.900 2.860 2.736 2.947 0.047 7 0 "[ . 1 . 2 . ]" 1
173 1 12 CYS SG 1 14 GLN N . . 3.800 3.519 3.437 3.716 . 0 0 "[ . 1 . 2 . ]" 1
174 1 12 CYS SG 1 28 CYS SG . . 3.600 3.663 3.407 3.744 0.144 14 0 "[ . 1 . 2 . ]" 1
175 1 12 CYS SG 1 29 CYS SG . . 3.700 3.765 3.722 3.958 0.258 8 0 "[ . 1 . 2 . ]" 1
176 1 13 GLY H 1 14 GLN H . . 2.900 2.141 1.852 2.826 . 0 0 "[ . 1 . 2 . ]" 1
177 1 14 GLN H 1 14 GLN HA . . 2.700 2.883 2.834 2.898 0.198 4 0 "[ . 1 . 2 . ]" 1
178 1 14 GLN H 1 14 GLN HB2 . . 2.900 2.837 2.519 3.006 0.106 4 0 "[ . 1 . 2 . ]" 1
179 1 14 GLN H 1 14 GLN HB3 . . 2.400 2.379 2.209 2.619 0.219 11 0 "[ . 1 . 2 . ]" 1
180 1 14 GLN H 1 14 GLN HE21 . . 5.000 4.898 4.133 5.158 0.158 25 0 "[ . 1 . 2 . ]" 1
181 1 14 GLN HB2 1 14 GLN HE22 . . 5.000 3.841 3.541 4.385 . 0 0 "[ . 1 . 2 . ]" 1
182 1 14 GLN HB3 1 14 GLN HE21 . . 3.700 2.671 2.004 3.104 . 0 0 "[ . 1 . 2 . ]" 1
183 1 14 GLN HB3 1 14 GLN HE22 . . 4.100 3.848 3.226 4.155 0.055 7 0 "[ . 1 . 2 . ]" 1
184 1 14 GLN HE21 1 33 MET QG . . 6.000 5.224 4.472 5.514 . 0 0 "[ . 1 . 2 . ]" 1
185 1 14 GLN HE21 2 24 GLY H . . 5.000 4.333 3.534 5.008 0.008 10 0 "[ . 1 . 2 . ]" 1
186 1 14 GLN HE21 2 26 LEU QB . . 6.000 5.334 4.948 5.592 . 0 0 "[ . 1 . 2 . ]" 1
187 1 14 GLN HE21 2 26 LEU MD1 . . 6.000 4.169 3.630 4.950 . 0 0 "[ . 1 . 2 . ]" 1
188 1 14 GLN HE21 2 26 LEU MD2 . . 6.000 2.541 1.931 3.395 . 0 0 "[ . 1 . 2 . ]" 1
189 1 14 GLN HE22 2 1 ALA MB . . 6.000 4.906 4.576 5.162 . 0 0 "[ . 1 . 2 . ]" 1
190 1 14 GLN HE22 2 26 LEU QB . . 6.000 4.686 4.072 5.340 . 0 0 "[ . 1 . 2 . ]" 1
191 1 14 GLN HE22 2 26 LEU MD1 . . 6.000 3.546 2.144 4.402 . 0 0 "[ . 1 . 2 . ]" 1
192 1 14 GLN HE22 2 26 LEU MD2 . . 6.000 2.226 1.713 2.949 . 0 0 "[ . 1 . 2 . ]" 1
193 1 14 GLN QG 1 15 VAL H . . 6.000 2.300 2.042 2.734 . 0 0 "[ . 1 . 2 . ]" 1
194 1 14 GLN QG 2 22 GLY HA2 . . 6.000 4.025 2.924 5.119 . 0 0 "[ . 1 . 2 . ]" 1
195 1 15 VAL H 1 15 VAL HB . . 2.500 2.576 2.484 2.665 0.165 22 0 "[ . 1 . 2 . ]" 1
196 1 15 VAL H 1 16 VAL H . . 4.700 4.414 4.352 4.522 . 0 0 "[ . 1 . 2 . ]" 1
197 1 15 VAL H 1 16 VAL MG2 . . 6.000 4.888 4.740 4.967 . 0 0 "[ . 1 . 2 . ]" 1
198 1 15 VAL H 2 20 GLU H . . 2.400 2.546 2.487 2.627 0.227 22 0 "[ . 1 . 2 . ]" 1
199 1 15 VAL H 2 20 GLU O . . 2.000 2.113 2.036 2.202 0.202 2 0 "[ . 1 . 2 . ]" 1
200 1 15 VAL HA 1 15 VAL MG1 . . 3.400 2.403 2.215 2.511 . 0 0 "[ . 1 . 2 . ]" 1
201 1 15 VAL HA 1 16 VAL H . . 2.800 2.220 2.196 2.248 . 0 0 "[ . 1 . 2 . ]" 1
202 1 15 VAL HB 2 20 GLU H . . 3.100 2.625 2.417 2.818 . 0 0 "[ . 1 . 2 . ]" 1
203 1 15 VAL QG 1 16 VAL HA . . 7.400 3.527 3.312 3.806 . 0 0 "[ . 1 . 2 . ]" 1
204 1 15 VAL QG 2 20 GLU H . . 7.400 3.433 3.289 3.549 . 0 0 "[ . 1 . 2 . ]" 1
205 1 15 VAL N 2 20 GLU O . . 3.000 3.010 2.933 3.135 0.135 22 0 "[ . 1 . 2 . ]" 1
206 1 15 VAL O 2 19 LEU H . . 2.000 2.079 2.025 2.137 0.137 20 0 "[ . 1 . 2 . ]" 1
207 1 15 VAL O 2 19 LEU N . . 3.000 2.678 2.620 2.739 . 0 0 "[ . 1 . 2 . ]" 1
208 1 15 VAL O 2 20 GLU H . . 2.000 1.871 1.791 2.002 0.002 18 0 "[ . 1 . 2 . ]" 1
209 1 15 VAL O 2 20 GLU N . . 3.000 2.840 2.762 2.968 . 0 0 "[ . 1 . 2 . ]" 1
210 1 16 VAL HA 1 16 VAL HB . . 2.400 2.516 2.490 2.584 0.184 9 0 "[ . 1 . 2 . ]" 1
211 1 16 VAL HA 1 17 LYS H . . 2.400 2.469 2.453 2.485 0.085 11 0 "[ . 1 . 2 . ]" 1
212 1 16 VAL HA 1 17 LYS QB . . 4.500 3.926 3.884 3.970 . 0 0 "[ . 1 . 2 . ]" 1
213 1 16 VAL HA 2 18 VAL HA . . 2.700 2.691 2.442 2.811 0.111 15 0 "[ . 1 . 2 . ]" 1
214 1 16 VAL HA 2 19 LEU H . . 2.400 2.032 1.912 2.186 . 0 0 "[ . 1 . 2 . ]" 1
215 1 16 VAL HB 1 17 LYS H . . 2.400 2.484 2.448 2.518 0.118 8 0 "[ . 1 . 2 . ]" 1
216 1 16 VAL HB 1 26 LEU MD1 . . 6.000 4.448 4.200 4.674 . 0 0 "[ . 1 . 2 . ]" 1
217 1 16 VAL MG2 1 26 LEU MD1 . . 4.400 2.725 2.434 2.915 . 0 0 "[ . 1 . 2 . ]" 1
218 1 17 LYS H 1 17 LYS QB . . 3.100 2.459 2.402 2.510 . 0 0 "[ . 1 . 2 . ]" 1
219 1 17 LYS H 1 17 LYS QD . . 5.500 4.682 4.519 4.904 . 0 0 "[ . 1 . 2 . ]" 1
220 1 17 LYS H 2 17 LYS O . . 2.000 2.124 2.064 2.198 0.198 13 0 "[ . 1 . 2 . ]" 1
221 1 17 LYS HA 1 18 VAL H . . 2.400 2.419 2.330 2.526 0.126 21 0 "[ . 1 . 2 . ]" 1
222 1 17 LYS QD 1 19 LEU HA . . 4.500 3.811 3.128 4.114 . 0 0 "[ . 1 . 2 . ]" 1
223 1 17 LYS QG 1 18 VAL H . . 5.200 1.864 1.715 2.000 . 0 0 "[ . 1 . 2 . ]" 1
224 1 17 LYS N 2 17 LYS O . . 3.000 2.939 2.863 2.996 . 0 0 "[ . 1 . 2 . ]" 1
225 1 17 LYS O 2 17 LYS H . . 2.000 2.091 2.011 2.177 0.177 3 0 "[ . 1 . 2 . ]" 1
226 1 17 LYS O 2 17 LYS N . . 3.000 2.909 2.816 2.994 . 0 0 "[ . 1 . 2 . ]" 1
227 1 18 VAL H 1 18 VAL HB . . 2.600 2.373 2.263 2.455 . 0 0 "[ . 1 . 2 . ]" 1
228 1 18 VAL H 1 18 VAL MG2 . . 4.000 2.764 2.594 3.029 . 0 0 "[ . 1 . 2 . ]" 1
229 1 18 VAL H 1 19 LEU H . . 3.700 3.946 3.840 4.028 0.328 23 0 "[ . 1 . 2 . ]" 1
230 1 18 VAL HA 1 19 LEU H . . 2.600 2.306 2.271 2.324 . 0 0 "[ . 1 . 2 . ]" 1
231 1 18 VAL HA 1 20 GLU H . . 3.400 3.568 3.517 3.614 0.214 5 0 "[ . 1 . 2 . ]" 1
232 1 18 VAL HA 2 16 VAL HA . . 2.700 2.769 2.453 2.874 0.174 12 0 "[ . 1 . 2 . ]" 1
233 1 18 VAL MG1 1 19 LEU H . . 4.500 3.509 3.436 3.642 . 0 0 "[ . 1 . 2 . ]" 1
234 1 18 VAL MG1 1 20 GLU H . . 4.600 3.027 2.822 3.186 . 0 0 "[ . 1 . 2 . ]" 1
235 1 18 VAL MG1 1 20 GLU HA . . 6.000 3.679 3.557 3.843 . 0 0 "[ . 1 . 2 . ]" 1
236 1 18 VAL MG1 1 21 GLU HA . . 5.900 2.498 2.283 3.011 . 0 0 "[ . 1 . 2 . ]" 1
237 1 18 VAL MG1 1 22 GLY H . . 6.000 4.160 3.766 4.786 . 0 0 "[ . 1 . 2 . ]" 1
238 1 18 VAL MG2 1 26 LEU MD1 . . 4.400 2.279 1.833 2.694 . 0 0 "[ . 1 . 2 . ]" 1
239 1 19 LEU H 1 20 GLU H . . 2.700 2.569 2.494 2.644 . 0 0 "[ . 1 . 2 . ]" 1
240 1 19 LEU H 2 15 VAL O . . 2.000 2.095 2.042 2.132 0.132 5 0 "[ . 1 . 2 . ]" 1
241 1 19 LEU HA 1 19 LEU MD1 . . 4.100 2.666 1.989 3.210 . 0 0 "[ . 1 . 2 . ]" 1
242 1 19 LEU QB 1 20 GLU H . . 4.700 2.712 2.623 2.802 . 0 0 "[ . 1 . 2 . ]" 1
243 1 19 LEU N 2 15 VAL O . . 3.000 2.711 2.673 2.768 . 0 0 "[ . 1 . 2 . ]" 1
244 1 20 GLU H 1 20 GLU HG3 . . 4.000 3.918 3.273 4.157 0.157 13 0 "[ . 1 . 2 . ]" 1
245 1 20 GLU H 1 21 GLU H . . 5.000 4.083 3.879 4.273 . 0 0 "[ . 1 . 2 . ]" 1
246 1 20 GLU H 2 15 VAL H . . 2.400 2.582 2.498 2.675 0.275 1 0 "[ . 1 . 2 . ]" 1
247 1 20 GLU H 2 15 VAL HB . . 3.100 2.655 2.414 2.884 . 0 0 "[ . 1 . 2 . ]" 1
248 1 20 GLU H 2 15 VAL QG . . 7.400 3.457 3.307 3.586 . 0 0 "[ . 1 . 2 . ]" 1
249 1 20 GLU H 2 15 VAL O . . 2.000 1.844 1.753 2.000 0.000 21 0 "[ . 1 . 2 . ]" 1
250 1 20 GLU HA 1 20 GLU HG2 . . 4.100 3.354 2.677 3.933 . 0 0 "[ . 1 . 2 . ]" 1
251 1 20 GLU HA 1 20 GLU HG3 . . 3.900 2.731 2.087 3.359 . 0 0 "[ . 1 . 2 . ]" 1
252 1 20 GLU HA 1 21 GLU H . . 3.300 2.211 2.202 2.263 . 0 0 "[ . 1 . 2 . ]" 1
253 1 20 GLU N 2 15 VAL O . . 3.000 2.813 2.725 2.979 . 0 0 "[ . 1 . 2 . ]" 1
254 1 20 GLU O 2 15 VAL H . . 2.000 2.081 1.844 2.213 0.213 9 0 "[ . 1 . 2 . ]" 1
255 1 20 GLU O 2 15 VAL N . . 3.000 2.995 2.770 3.113 0.113 9 0 "[ . 1 . 2 . ]" 1
256 1 21 GLU H 1 21 GLU QB . . 3.500 2.331 2.017 2.611 . 0 0 "[ . 1 . 2 . ]" 1
257 1 21 GLU H 1 22 GLY H . . 5.000 4.662 4.637 4.675 . 0 0 "[ . 1 . 2 . ]" 1
258 1 21 GLU HA 1 22 GLY H . . 2.400 2.392 2.322 2.479 0.079 9 0 "[ . 1 . 2 . ]" 1
259 1 21 GLU QB 1 22 GLY H . . 4.200 2.829 2.472 3.588 . 0 0 "[ . 1 . 2 . ]" 1
260 1 21 GLU QG 1 22 GLY H . . 5.900 3.423 1.917 4.041 . 0 0 "[ . 1 . 2 . ]" 1
261 1 22 GLY HA2 2 14 GLN QG . . 6.000 4.764 3.361 5.302 . 0 0 "[ . 1 . 2 . ]" 1
262 1 23 GLY H 1 24 GLY H . . 3.900 2.807 2.029 3.403 . 0 0 "[ . 1 . 2 . ]" 1
263 1 23 GLY H 2 12 CYS HB2 . . 5.000 2.077 1.861 2.593 . 0 0 "[ . 1 . 2 . ]" 1
264 1 23 GLY H 2 12 CYS HB3 . . 4.300 3.399 2.941 4.099 . 0 0 "[ . 1 . 2 . ]" 1
265 1 24 GLY H 1 25 THR H . . 5.000 4.426 4.291 4.634 . 0 0 "[ . 1 . 2 . ]" 1
266 1 24 GLY H 2 12 CYS HB2 . . 5.000 3.438 2.653 4.575 . 0 0 "[ . 1 . 2 . ]" 1
267 1 24 GLY H 2 12 CYS HB3 . . 5.000 4.024 2.715 5.057 0.057 9 0 "[ . 1 . 2 . ]" 1
268 1 24 GLY H 2 14 GLN HE21 . . 5.000 4.517 3.759 4.983 . 0 0 "[ . 1 . 2 . ]" 1
269 1 25 THR H 1 25 THR HB . . 2.600 2.457 2.241 2.648 0.048 2 0 "[ . 1 . 2 . ]" 1
270 1 25 THR H 1 26 LEU H . . 5.000 4.550 4.468 4.615 . 0 0 "[ . 1 . 2 . ]" 1
271 1 25 THR H 2 29 CYS H . . 3.500 2.946 2.150 3.532 0.032 2 0 "[ . 1 . 2 . ]" 1
272 1 25 THR HA 1 26 LEU H . . 2.400 2.268 2.202 2.412 0.012 14 0 "[ . 1 . 2 . ]" 1
273 1 25 THR HA 1 26 LEU QB . . 6.000 4.580 4.390 4.707 . 0 0 "[ . 1 . 2 . ]" 1
274 1 25 THR HB 1 26 LEU H . . 4.300 4.219 4.019 4.344 0.044 21 0 "[ . 1 . 2 . ]" 1
275 1 25 THR HB 1 27 VAL MG2 . . 6.000 4.155 3.326 4.942 . 0 0 "[ . 1 . 2 . ]" 1
276 1 25 THR MG 1 27 VAL MG2 . . 4.400 2.457 2.090 2.855 . 0 0 "[ . 1 . 2 . ]" 1
277 1 26 LEU H 1 26 LEU QB . . 3.600 2.546 2.285 2.653 . 0 0 "[ . 1 . 2 . ]" 1
278 1 26 LEU H 1 26 LEU HG . . 3.000 2.046 1.867 2.578 . 0 0 "[ . 1 . 2 . ]" 1
279 1 26 LEU H 1 27 VAL H . . 5.000 4.471 4.386 4.554 . 0 0 "[ . 1 . 2 . ]" 1
280 1 26 LEU HA 1 26 LEU MD2 . . 4.300 2.330 1.960 2.657 . 0 0 "[ . 1 . 2 . ]" 1
281 1 26 LEU HA 1 26 LEU HG . . 3.200 3.167 2.749 3.286 0.086 2 0 "[ . 1 . 2 . ]" 1
282 1 26 LEU HA 1 27 VAL H . . 2.400 2.181 2.176 2.189 . 0 0 "[ . 1 . 2 . ]" 1
283 1 26 LEU QB 2 14 GLN HE21 . . 6.000 5.226 4.736 5.471 . 0 0 "[ . 1 . 2 . ]" 1
284 1 26 LEU QB 2 14 GLN HE22 . . 6.000 4.927 4.043 5.404 . 0 0 "[ . 1 . 2 . ]" 1
285 1 26 LEU MD1 1 33 MET HB3 . . 6.000 3.626 3.118 4.088 . 0 0 "[ . 1 . 2 . ]" 1
286 1 26 LEU MD1 1 33 MET ME . . 7.000 2.217 1.721 3.742 . 0 0 "[ . 1 . 2 . ]" 1
287 1 26 LEU MD1 1 33 MET QG . . 7.000 4.424 4.202 4.635 . 0 0 "[ . 1 . 2 . ]" 1
288 1 26 LEU MD1 2 14 GLN HE21 . . 6.000 4.342 3.837 4.822 . 0 0 "[ . 1 . 2 . ]" 1
289 1 26 LEU MD1 2 14 GLN HE22 . . 6.000 3.875 3.245 4.235 . 0 0 "[ . 1 . 2 . ]" 1
290 1 26 LEU MD2 2 14 GLN HE21 . . 6.000 2.342 1.814 3.377 . 0 0 "[ . 1 . 2 . ]" 1
291 1 26 LEU MD2 2 14 GLN HE22 . . 6.000 2.291 1.768 2.980 . 0 0 "[ . 1 . 2 . ]" 1
292 1 26 LEU O 1 33 MET H . . 2.000 2.083 2.003 2.142 0.142 20 0 "[ . 1 . 2 . ]" 1
293 1 26 LEU O 1 33 MET N . . 3.000 2.839 2.738 2.921 . 0 0 "[ . 1 . 2 . ]" 1
294 1 27 VAL H 1 27 VAL HB . . 2.400 2.349 2.158 2.458 0.058 29 0 "[ . 1 . 2 . ]" 1
295 1 27 VAL H 1 28 CYS H . . 5.000 4.517 4.477 4.584 . 0 0 "[ . 1 . 2 . ]" 1
296 1 27 VAL H 2 27 VAL O . . 2.000 2.033 1.847 2.084 0.084 2 0 "[ . 1 . 2 . ]" 1
297 1 27 VAL HA 1 28 CYS H . . 3.000 2.306 2.253 2.372 . 0 0 "[ . 1 . 2 . ]" 1
298 1 27 VAL HA 1 33 MET H . . 2.700 2.420 2.139 2.765 0.065 8 0 "[ . 1 . 2 . ]" 1
299 1 27 VAL HA 1 33 MET HB2 . . 5.000 3.851 3.545 4.389 . 0 0 "[ . 1 . 2 . ]" 1
300 1 27 VAL HB 1 28 CYS H . . 4.000 4.156 4.088 4.241 0.241 8 0 "[ . 1 . 2 . ]" 1
301 1 27 VAL MG1 1 28 CYS H . . 3.800 2.187 1.958 2.363 . 0 0 "[ . 1 . 2 . ]" 1
302 1 27 VAL MG1 1 29 CYS H . . 6.000 3.972 3.845 4.271 . 0 0 "[ . 1 . 2 . ]" 1
303 1 27 VAL MG1 1 29 CYS HA . . 6.000 5.017 4.833 5.114 . 0 0 "[ . 1 . 2 . ]" 1
304 1 27 VAL MG1 1 30 GLY H . . 4.800 3.100 2.881 3.506 . 0 0 "[ . 1 . 2 . ]" 1
305 1 27 VAL MG1 1 30 GLY HA2 . . 3.900 2.876 2.677 3.102 . 0 0 "[ . 1 . 2 . ]" 1
306 1 27 VAL MG1 1 31 GLU H . . 4.400 2.572 2.089 2.955 . 0 0 "[ . 1 . 2 . ]" 1
307 1 27 VAL MG1 1 31 GLU HA . . 6.000 3.974 3.529 4.466 . 0 0 "[ . 1 . 2 . ]" 1
308 1 27 VAL MG1 1 33 MET H . . 6.000 4.367 4.152 4.644 . 0 0 "[ . 1 . 2 . ]" 1
309 1 27 VAL MG2 1 28 CYS H . . 6.000 3.670 3.418 3.867 . 0 0 "[ . 1 . 2 . ]" 1
310 1 27 VAL MG2 1 32 ASP H . . 6.000 4.442 3.901 4.883 . 0 0 "[ . 1 . 2 . ]" 1
311 1 27 VAL MG2 1 33 MET H . . 6.000 3.745 3.374 4.219 . 0 0 "[ . 1 . 2 . ]" 1
312 1 27 VAL N 2 27 VAL O . . 3.000 2.994 2.827 3.065 0.065 26 0 "[ . 1 . 2 . ]" 1
313 1 27 VAL O 2 27 VAL H . . 2.000 2.075 2.002 2.122 0.122 13 0 "[ . 1 . 2 . ]" 1
314 1 27 VAL O 2 27 VAL N . . 3.000 2.956 2.819 3.049 0.049 24 0 "[ . 1 . 2 . ]" 1
315 1 28 CYS H 1 28 CYS HB2 . . 4.100 3.306 3.197 3.422 . 0 0 "[ . 1 . 2 . ]" 1
316 1 28 CYS H 1 31 GLU H . . 3.300 2.511 2.363 2.696 . 0 0 "[ . 1 . 2 . ]" 1
317 1 28 CYS H 1 31 GLU O . . 2.000 1.795 1.678 2.056 0.056 8 0 "[ . 1 . 2 . ]" 1
318 1 28 CYS H 1 33 MET HB2 . . 4.900 4.941 4.831 5.030 0.130 20 0 "[ . 1 . 2 . ]" 1
319 1 28 CYS HA 1 28 CYS HB2 . . 2.700 2.510 2.385 2.541 . 0 0 "[ . 1 . 2 . ]" 1
320 1 28 CYS HA 1 28 CYS HB3 . . 2.600 3.022 3.018 3.026 0.426 26 0 "[ . 1 . 2 . ]" 1
321 1 28 CYS HB2 1 33 MET HB2 . . 4.600 4.574 4.064 4.696 0.096 1 0 "[ . 1 . 2 . ]" 1
322 1 28 CYS HB2 1 33 MET QG . . 6.000 2.355 1.921 2.832 . 0 0 "[ . 1 . 2 . ]" 1
323 1 28 CYS N 1 31 GLU O . . 3.000 2.718 2.623 2.894 . 0 0 "[ . 1 . 2 . ]" 1
324 1 28 CYS O 1 31 GLU H . . 2.000 2.057 1.972 2.155 0.155 7 0 "[ . 1 . 2 . ]" 1
325 1 28 CYS O 1 31 GLU N . . 3.000 2.840 2.596 2.930 . 0 0 "[ . 1 . 2 . ]" 1
326 1 28 CYS SG 1 29 CYS SG . . 4.040 3.958 3.835 4.049 0.009 7 0 "[ . 1 . 2 . ]" 1
327 1 29 CYS H 1 29 CYS HA . . 2.500 2.197 2.192 2.234 . 0 0 "[ . 1 . 2 . ]" 1
328 1 29 CYS H 1 30 GLY H . . 3.500 2.805 2.629 3.369 . 0 0 "[ . 1 . 2 . ]" 1
329 1 29 CYS H 2 25 THR H . . 3.500 2.940 2.216 3.550 0.050 18 0 "[ . 1 . 2 . ]" 1
330 1 29 CYS HA 1 30 GLY H . . 3.100 2.721 2.416 2.848 . 0 0 "[ . 1 . 2 . ]" 1
331 1 30 GLY H 1 30 GLY HA2 . . 2.900 2.253 2.245 2.287 . 0 0 "[ . 1 . 2 . ]" 1
332 1 30 GLY H 1 31 GLU H . . 3.700 2.826 2.703 3.110 . 0 0 "[ . 1 . 2 . ]" 1
333 1 31 GLU H 1 31 GLU HG2 . . 4.200 4.170 3.007 4.403 0.203 7 0 "[ . 1 . 2 . ]" 1
334 1 31 GLU H 1 31 GLU HG3 . . 5.000 4.619 4.278 4.807 . 0 0 "[ . 1 . 2 . ]" 1
335 1 31 GLU H 1 32 ASP H . . 4.600 4.438 4.304 4.491 . 0 0 "[ . 1 . 2 . ]" 1
336 1 31 GLU HA 1 31 GLU HG2 . . 3.800 2.959 1.989 3.563 . 0 0 "[ . 1 . 2 . ]" 1
337 1 31 GLU HG2 1 32 ASP H . . 3.800 2.694 2.099 3.641 . 0 0 "[ . 1 . 2 . ]" 1
338 1 31 GLU HG3 1 32 ASP H . . 5.000 2.668 1.879 4.467 . 0 0 "[ . 1 . 2 . ]" 1
339 1 32 ASP H 1 32 ASP QB . . 3.600 2.542 2.086 3.085 . 0 0 "[ . 1 . 2 . ]" 1
340 1 32 ASP H 1 34 VAL MG2 . . 6.000 4.943 4.796 5.039 . 0 0 "[ . 1 . 2 . ]" 1
341 1 32 ASP HA 1 33 MET H . . 3.300 2.280 2.254 2.299 . 0 0 "[ . 1 . 2 . ]" 1
342 1 33 MET H 1 33 MET HB2 . . 3.100 2.221 2.082 2.346 . 0 0 "[ . 1 . 2 . ]" 1
343 1 33 MET H 1 33 MET HB3 . . 3.700 3.485 3.402 3.532 . 0 0 "[ . 1 . 2 . ]" 1
344 1 33 MET H 1 33 MET ME . . 6.000 4.309 3.703 4.851 . 0 0 "[ . 1 . 2 . ]" 1
345 1 33 MET H 1 34 VAL H . . 5.000 4.615 4.539 4.674 . 0 0 "[ . 1 . 2 . ]" 1
346 1 33 MET H 1 34 VAL MG2 . . 6.000 4.977 4.852 5.042 . 0 0 "[ . 1 . 2 . ]" 1
347 1 33 MET HA 1 33 MET HB2 . . 2.600 3.008 2.972 3.040 0.440 20 0 "[ . 1 . 2 . ]" 1
348 1 33 MET HA 1 33 MET HB3 . . 2.600 2.761 2.694 2.823 0.223 14 0 "[ . 1 . 2 . ]" 1
349 1 33 MET QG 1 34 VAL MG2 . . 7.000 4.643 4.320 4.784 . 0 0 "[ . 1 . 2 . ]" 1
350 1 34 VAL H 1 34 VAL HB . . 2.500 2.586 2.506 2.683 0.183 8 0 "[ . 1 . 2 . ]" 1
351 1 34 VAL H 1 34 VAL MG2 . . 4.300 2.143 1.893 2.534 . 0 0 "[ . 1 . 2 . ]" 1
352 1 34 VAL HA 1 35 LYS H . . 2.400 2.462 2.422 2.492 0.092 27 0 "[ . 1 . 2 . ]" 1
353 1 34 VAL HB 1 35 LYS H . . 3.400 3.494 3.418 3.579 0.179 1 0 "[ . 1 . 2 . ]" 1
354 1 34 VAL HB 1 36 GLN HE21 . . 4.300 3.641 3.555 3.727 . 0 0 "[ . 1 . 2 . ]" 1
355 1 34 VAL MG1 1 35 LYS H . . 4.400 1.904 1.860 2.001 . 0 0 "[ . 1 . 2 . ]" 1
356 1 34 VAL MG1 1 36 GLN HE21 . . 6.000 3.834 3.419 4.188 . 0 0 "[ . 1 . 2 . ]" 1
357 1 34 VAL MG1 1 36 GLN HE22 . . 5.300 4.062 3.537 4.325 . 0 0 "[ . 1 . 2 . ]" 1
358 1 34 VAL MG2 1 35 LYS H . . 4.700 4.011 3.937 4.109 . 0 0 "[ . 1 . 2 . ]" 1
359 1 34 VAL MG2 1 36 GLN HE21 . . 6.000 5.084 5.018 5.176 . 0 0 "[ . 1 . 2 . ]" 1
360 1 34 VAL MG2 1 36 GLN HE22 . . 6.000 4.936 4.476 5.027 . 0 0 "[ . 1 . 2 . ]" 1
361 1 35 LYS H 1 35 LYS QB . . 3.600 2.538 2.318 2.996 . 0 0 "[ . 1 . 2 . ]" 1
362 1 35 LYS H 1 35 LYS QG . . 4.700 3.064 2.090 4.140 . 0 0 "[ . 1 . 2 . ]" 1
363 1 35 LYS H 1 36 GLN HE21 . . 5.000 4.400 3.960 4.633 . 0 0 "[ . 1 . 2 . ]" 1
364 1 35 LYS HA 1 35 LYS HD3 . . 3.800 3.650 3.490 3.860 0.060 26 0 "[ . 1 . 2 . ]" 1
365 1 35 LYS HA 1 36 GLN H . . 2.400 2.242 2.192 2.303 . 0 0 "[ . 1 . 2 . ]" 1
366 1 35 LYS HA 1 36 GLN HG2 . . 5.000 3.300 3.151 3.533 . 0 0 "[ . 1 . 2 . ]" 1
367 1 35 LYS QE 1 36 GLN H . . 6.000 4.145 2.955 5.555 . 0 0 "[ . 1 . 2 . ]" 1
368 1 35 LYS QG 1 36 GLN H . . 5.300 3.455 2.131 4.222 . 0 0 "[ . 1 . 2 . ]" 1
369 1 36 GLN H 1 36 GLN QB . . 3.300 2.611 2.554 2.684 . 0 0 "[ . 1 . 2 . ]" 1
370 1 36 GLN H 1 36 GLN HE21 . . 5.000 2.926 2.240 3.162 . 0 0 "[ . 1 . 2 . ]" 1
371 1 36 GLN H 1 36 GLN HE22 . . 5.000 4.501 3.860 4.715 . 0 0 "[ . 1 . 2 . ]" 1
372 1 36 GLN H 1 36 GLN HG2 . . 3.300 1.826 1.728 1.881 . 0 0 "[ . 1 . 2 . ]" 1
373 1 36 GLN H 1 36 GLN HG3 . . 3.100 3.297 3.234 3.384 0.284 18 0 "[ . 1 . 2 . ]" 1
374 1 36 GLN HA 1 36 GLN HE22 . . 5.000 3.635 3.337 3.874 . 0 0 "[ . 1 . 2 . ]" 1
375 1 36 GLN HE22 1 36 GLN HG2 . . 3.700 3.462 3.448 3.485 . 0 0 "[ . 1 . 2 . ]" 1
376 1 36 GLN HE22 1 36 GLN HG3 . . 4.000 4.052 4.014 4.094 0.094 10 0 "[ . 1 . 2 . ]" 1
377 2 1 ALA MB 2 5 ASP HB2 . . 6.000 3.190 2.482 4.390 . 0 0 "[ . 1 . 2 . ]" 1
378 2 1 ALA MB 2 7 TYR HD1 . . 6.000 4.097 3.525 4.568 . 0 0 "[ . 1 . 2 . ]" 1
379 2 1 ALA MB 2 7 TYR HE1 . . 3.400 2.464 1.968 2.787 . 0 0 "[ . 1 . 2 . ]" 1
380 2 1 ALA MB 2 21 GLU HA . . 6.000 3.641 2.917 4.861 . 0 0 "[ . 1 . 2 . ]" 1
381 2 1 ALA MB 2 26 LEU MD1 . . 7.000 3.578 2.386 4.592 . 0 0 "[ . 1 . 2 . ]" 1
382 2 2 ASN HA 2 3 GLU QB . . 4.900 4.161 3.893 4.252 . 0 0 "[ . 1 . 2 . ]" 1
383 2 2 ASN QB 2 3 GLU H . . 4.500 3.314 2.851 4.067 . 0 0 "[ . 1 . 2 . ]" 1
384 2 3 GLU H 2 3 GLU QB . . 3.000 2.259 2.187 2.952 . 0 0 "[ . 1 . 2 . ]" 1
385 2 3 GLU H 2 3 GLU HG3 . . 4.500 4.381 4.256 4.556 0.056 11 0 "[ . 1 . 2 . ]" 1
386 2 3 GLU HA 2 3 GLU HG3 . . 4.000 2.516 2.349 2.640 . 0 0 "[ . 1 . 2 . ]" 1
387 2 3 GLU HA 2 4 GLY H . . 2.500 2.274 2.203 2.460 . 0 0 "[ . 1 . 2 . ]" 1
388 2 3 GLU HA 2 18 VAL HB . . 4.100 3.613 2.977 4.117 0.017 18 0 "[ . 1 . 2 . ]" 1
389 2 3 GLU HA 2 18 VAL MG1 . . 3.500 2.380 1.891 2.699 . 0 0 "[ . 1 . 2 . ]" 1
390 2 3 GLU QB 2 4 GLY H . . 4.400 3.711 3.374 3.975 . 0 0 "[ . 1 . 2 . ]" 1
391 2 4 GLY H 2 5 ASP H . . 3.200 2.325 1.947 2.634 . 0 0 "[ . 1 . 2 . ]" 1
392 2 4 GLY HA2 2 5 ASP H . . 3.400 3.238 3.087 3.341 . 0 0 "[ . 1 . 2 . ]" 1
393 2 4 GLY HA2 2 6 VAL MG2 . . 6.000 4.813 4.568 4.948 . 0 0 "[ . 1 . 2 . ]" 1
394 2 4 GLY HA2 2 17 LYS QB . . 6.000 5.370 5.080 5.498 . 0 0 "[ . 1 . 2 . ]" 1
395 2 4 GLY HA2 2 17 LYS QE . . 6.000 3.116 1.860 4.203 . 0 0 "[ . 1 . 2 . ]" 1
396 2 4 GLY HA2 2 17 LYS QG . . 6.000 3.789 3.282 5.439 . 0 0 "[ . 1 . 2 . ]" 1
397 2 4 GLY HA3 2 17 LYS QE . . 6.000 4.416 3.334 5.430 . 0 0 "[ . 1 . 2 . ]" 1
398 2 5 ASP H 2 5 ASP HB2 . . 2.800 2.229 2.079 3.004 0.204 25 0 "[ . 1 . 2 . ]" 1
399 2 5 ASP H 2 5 ASP HB3 . . 3.500 3.444 3.223 3.623 0.123 25 0 "[ . 1 . 2 . ]" 1
400 2 5 ASP H 2 18 VAL H . . 3.400 3.375 3.000 3.468 0.068 19 0 "[ . 1 . 2 . ]" 1
401 2 5 ASP H 2 18 VAL HB . . 3.700 2.248 1.905 2.592 . 0 0 "[ . 1 . 2 . ]" 1
402 2 5 ASP H 2 18 VAL MG1 . . 6.000 3.253 2.860 3.612 . 0 0 "[ . 1 . 2 . ]" 1
403 2 5 ASP H 2 18 VAL MG2 . . 6.000 3.698 3.290 4.054 . 0 0 "[ . 1 . 2 . ]" 1
404 2 5 ASP HA 2 6 VAL H . . 3.200 2.407 2.274 2.505 . 0 0 "[ . 1 . 2 . ]" 1
405 2 5 ASP HB2 2 6 VAL H . . 4.100 4.078 3.603 4.174 0.074 6 0 "[ . 1 . 2 . ]" 1
406 2 5 ASP HB2 2 7 TYR HD1 . . 4.900 4.061 2.919 4.556 . 0 0 "[ . 1 . 2 . ]" 1
407 2 5 ASP HB2 2 7 TYR HE1 . . 3.900 3.409 2.361 3.914 0.014 22 0 "[ . 1 . 2 . ]" 1
408 2 5 ASP HB2 2 18 VAL MG2 . . 4.600 2.724 1.969 3.601 . 0 0 "[ . 1 . 2 . ]" 1
409 2 5 ASP HB3 2 6 VAL H . . 3.500 2.877 2.659 3.509 0.009 25 0 "[ . 1 . 2 . ]" 1
410 2 5 ASP HB3 2 7 TYR HD1 . . 4.900 2.995 2.789 3.880 . 0 0 "[ . 1 . 2 . ]" 1
411 2 5 ASP HB3 2 7 TYR HE1 . . 3.800 2.529 2.181 2.995 . 0 0 "[ . 1 . 2 . ]" 1
412 2 5 ASP O 2 18 VAL H . . 2.000 1.934 1.774 2.074 0.074 25 0 "[ . 1 . 2 . ]" 1
413 2 5 ASP O 2 18 VAL N . . 3.000 2.712 2.654 2.769 . 0 0 "[ . 1 . 2 . ]" 1
414 2 6 VAL H 2 6 VAL HB . . 2.400 2.385 2.288 2.477 0.077 21 0 "[ . 1 . 2 . ]" 1
415 2 6 VAL H 2 7 TYR HA . . 5.000 4.866 4.792 5.016 0.016 25 0 "[ . 1 . 2 . ]" 1
416 2 6 VAL H 2 7 TYR HD1 . . 5.000 3.667 3.508 4.017 . 0 0 "[ . 1 . 2 . ]" 1
417 2 6 VAL H 2 7 TYR HE1 . . 5.000 4.659 4.436 4.902 . 0 0 "[ . 1 . 2 . ]" 1
418 2 6 VAL HA 2 7 TYR H . . 2.800 2.251 2.218 2.313 . 0 0 "[ . 1 . 2 . ]" 1
419 2 6 VAL HA 2 17 LYS HA . . 2.400 2.237 2.117 2.405 0.005 8 0 "[ . 1 . 2 . ]" 1
420 2 6 VAL HA 2 17 LYS QG . . 6.000 3.519 2.947 5.165 . 0 0 "[ . 1 . 2 . ]" 1
421 2 6 VAL HB 2 7 TYR HD1 . . 5.000 5.116 5.038 5.198 0.198 12 0 "[ . 1 . 2 . ]" 1
422 2 6 VAL MG1 2 7 TYR H . . 3.400 2.509 2.134 2.700 . 0 0 "[ . 1 . 2 . ]" 1
423 2 6 VAL MG1 2 17 LYS HA . . 5.200 3.825 3.463 4.111 . 0 0 "[ . 1 . 2 . ]" 1
424 2 6 VAL MG1 2 36 GLN HE22 . . 6.000 4.985 4.884 5.175 . 0 0 "[ . 1 . 2 . ]" 1
425 2 6 VAL MG1 2 36 GLN HG2 . . 6.000 2.541 2.112 3.088 . 0 0 "[ . 1 . 2 . ]" 1
426 2 6 VAL MG1 2 36 GLN HG3 . . 3.400 1.932 1.858 2.304 . 0 0 "[ . 1 . 2 . ]" 1
427 2 6 VAL MG2 2 17 LYS HA . . 3.400 2.572 2.368 2.736 . 0 0 "[ . 1 . 2 . ]" 1
428 2 6 VAL MG2 2 17 LYS QE . . 7.000 3.119 2.313 5.155 . 0 0 "[ . 1 . 2 . ]" 1
429 2 6 VAL O 2 36 GLN H . . 2.000 2.011 1.896 2.087 0.087 17 0 "[ . 1 . 2 . ]" 1
430 2 6 VAL O 2 36 GLN N . . 3.000 2.999 2.863 3.083 0.083 17 0 "[ . 1 . 2 . ]" 1
431 2 7 TYR H 2 7 TYR HB2 . . 2.500 2.304 2.234 2.393 . 0 0 "[ . 1 . 2 . ]" 1
432 2 7 TYR H 2 7 TYR HB3 . . 3.300 3.460 3.430 3.517 0.217 18 0 "[ . 1 . 2 . ]" 1
433 2 7 TYR H 2 7 TYR HD1 . . 5.000 3.128 2.897 3.296 . 0 0 "[ . 1 . 2 . ]" 1
434 2 7 TYR H 2 15 VAL QG . . 7.400 3.697 3.443 4.030 . 0 0 "[ . 1 . 2 . ]" 1
435 2 7 TYR H 2 16 VAL H . . 2.800 2.917 2.849 2.997 0.197 8 0 "[ . 1 . 2 . ]" 1
436 2 7 TYR H 2 16 VAL O . . 2.000 1.851 1.779 1.976 . 0 0 "[ . 1 . 2 . ]" 1
437 2 7 TYR H 2 17 LYS HA . . 3.200 3.301 3.238 3.408 0.208 13 0 "[ . 1 . 2 . ]" 1
438 2 7 TYR H 2 17 LYS QB . . 6.000 5.015 4.663 5.273 . 0 0 "[ . 1 . 2 . ]" 1
439 2 7 TYR HA 2 8 LYS H . . 3.300 2.218 2.195 2.269 . 0 0 "[ . 1 . 2 . ]" 1
440 2 7 TYR HA 2 8 LYS QB . . 5.400 4.010 3.959 4.301 . 0 0 "[ . 1 . 2 . ]" 1
441 2 7 TYR HA 2 35 LYS HA . . 2.400 1.987 1.871 2.142 . 0 0 "[ . 1 . 2 . ]" 1
442 2 7 TYR HA 2 35 LYS QG . . 6.000 5.113 4.856 5.268 . 0 0 "[ . 1 . 2 . ]" 1
443 2 7 TYR HA 2 36 GLN HG2 . . 4.600 2.640 2.386 3.044 . 0 0 "[ . 1 . 2 . ]" 1
444 2 7 TYR HB2 2 7 TYR HD1 . . 3.600 2.748 2.682 2.845 . 0 0 "[ . 1 . 2 . ]" 1
445 2 7 TYR HB2 2 7 TYR HE1 . . 5.000 4.930 4.893 4.985 . 0 0 "[ . 1 . 2 . ]" 1
446 2 7 TYR HB2 2 8 LYS H . . 4.700 4.442 4.303 4.518 . 0 0 "[ . 1 . 2 . ]" 1
447 2 7 TYR HB2 2 26 LEU MD1 . . 5.600 2.955 2.351 3.649 . 0 0 "[ . 1 . 2 . ]" 1
448 2 7 TYR HB3 2 7 TYR HD2 . . 3.500 2.314 2.311 2.323 . 0 0 "[ . 1 . 2 . ]" 1
449 2 7 TYR HB3 2 8 LYS H . . 4.100 3.427 3.171 3.575 . 0 0 "[ . 1 . 2 . ]" 1
450 2 7 TYR HB3 2 16 VAL MG2 . . 4.800 2.963 2.629 3.323 . 0 0 "[ . 1 . 2 . ]" 1
451 2 7 TYR HB3 2 26 LEU MD1 . . 6.000 3.212 2.573 4.076 . 0 0 "[ . 1 . 2 . ]" 1
452 2 7 TYR HB3 2 33 MET HB3 . . 3.500 2.768 2.363 3.050 . 0 0 "[ . 1 . 2 . ]" 1
453 2 7 TYR HB3 2 33 MET ME . . 6.000 2.878 1.740 3.869 . 0 0 "[ . 1 . 2 . ]" 1
454 2 7 TYR HD1 2 16 VAL MG2 . . 6.000 4.542 4.032 4.825 . 0 0 "[ . 1 . 2 . ]" 1
455 2 7 TYR HD1 2 18 VAL MG2 . . 4.200 2.610 2.136 2.952 . 0 0 "[ . 1 . 2 . ]" 1
456 2 7 TYR HD1 2 26 LEU MD1 . . 5.700 3.963 3.177 4.431 . 0 0 "[ . 1 . 2 . ]" 1
457 2 7 TYR HD1 2 35 LYS HA . . 5.000 3.635 3.334 4.033 . 0 0 "[ . 1 . 2 . ]" 1
458 2 7 TYR HD1 2 35 LYS QG . . 6.000 5.410 5.230 5.526 . 0 0 "[ . 1 . 2 . ]" 1
459 2 7 TYR HD2 2 8 LYS H . . 4.600 4.545 4.363 4.657 0.057 9 0 "[ . 1 . 2 . ]" 1
460 2 7 TYR HD2 2 26 LEU HG . . 5.000 4.925 4.262 5.126 0.126 26 0 "[ . 1 . 2 . ]" 1
461 2 7 TYR HD2 2 33 MET HB3 . . 4.000 2.502 2.135 2.757 . 0 0 "[ . 1 . 2 . ]" 1
462 2 7 TYR HD2 2 33 MET ME . . 5.400 3.787 2.399 4.496 . 0 0 "[ . 1 . 2 . ]" 1
463 2 7 TYR HD2 2 34 VAL H . . 5.000 4.370 3.919 4.795 . 0 0 "[ . 1 . 2 . ]" 1
464 2 7 TYR HD2 2 34 VAL HA . . 5.000 3.980 3.716 4.209 . 0 0 "[ . 1 . 2 . ]" 1
465 2 7 TYR HE1 2 26 LEU MD1 . . 6.000 4.476 3.573 4.945 . 0 0 "[ . 1 . 2 . ]" 1
466 2 7 TYR HE1 2 35 LYS HA . . 5.000 4.417 4.019 4.792 . 0 0 "[ . 1 . 2 . ]" 1
467 2 7 TYR HE1 2 35 LYS QE . . 6.000 2.816 2.189 5.057 . 0 0 "[ . 1 . 2 . ]" 1
468 2 7 TYR HE2 2 35 LYS H . . 4.300 4.416 4.345 4.562 0.262 12 0 "[ . 1 . 2 . ]" 1
469 2 7 TYR HE2 2 35 LYS QB . . 6.000 2.629 2.444 2.826 . 0 0 "[ . 1 . 2 . ]" 1
470 2 7 TYR HE2 2 35 LYS QG . . 5.000 4.248 4.047 4.496 . 0 0 "[ . 1 . 2 . ]" 1
471 2 7 TYR N 2 16 VAL O . . 3.000 2.830 2.762 2.953 . 0 0 "[ . 1 . 2 . ]" 1
472 2 7 TYR O 2 16 VAL H . . 2.000 1.869 1.780 1.948 . 0 0 "[ . 1 . 2 . ]" 1
473 2 7 TYR O 2 16 VAL N . . 3.000 2.807 2.740 2.891 . 0 0 "[ . 1 . 2 . ]" 1
474 2 8 LYS H 2 9 CYS H . . 4.800 4.450 4.399 4.485 . 0 0 "[ . 1 . 2 . ]" 1
475 2 8 LYS H 2 34 VAL O . . 2.000 2.007 1.911 2.070 0.070 16 0 "[ . 1 . 2 . ]" 1
476 2 8 LYS H 2 36 GLN HG2 . . 5.000 3.020 2.246 3.450 . 0 0 "[ . 1 . 2 . ]" 1
477 2 8 LYS HA 2 9 CYS H . . 3.000 2.382 2.293 2.545 . 0 0 "[ . 1 . 2 . ]" 1
478 2 8 LYS HA 2 15 VAL HA . . 2.400 2.224 1.997 2.459 0.059 22 0 "[ . 1 . 2 . ]" 1
479 2 8 LYS HA 2 16 VAL H . . 4.500 3.519 3.338 3.691 . 0 0 "[ . 1 . 2 . ]" 1
480 2 8 LYS HA 2 33 MET HB3 . . 5.000 5.215 5.116 5.391 0.391 23 0 "[ . 1 . 2 . ]" 1
481 2 8 LYS QB 2 9 CYS H . . 4.400 3.397 2.396 3.619 . 0 0 "[ . 1 . 2 . ]" 1
482 2 8 LYS QB 2 15 VAL HA . . 6.000 2.946 2.585 3.798 . 0 0 "[ . 1 . 2 . ]" 1
483 2 8 LYS QB 2 15 VAL QG . . 6.100 2.034 1.741 3.000 . 0 0 "[ . 1 . 2 . ]" 1
484 2 8 LYS QB 2 16 VAL H . . 6.000 4.171 3.802 4.674 . 0 0 "[ . 1 . 2 . ]" 1
485 2 8 LYS QB 2 36 GLN HE21 . . 6.000 2.787 2.402 4.407 . 0 0 "[ . 1 . 2 . ]" 1
486 2 8 LYS QB 2 36 GLN HE22 . . 6.000 2.344 1.935 4.310 . 0 0 "[ . 1 . 2 . ]" 1
487 2 8 LYS QD 2 9 CYS H . . 6.000 3.936 2.185 4.393 . 0 0 "[ . 1 . 2 . ]" 1
488 2 8 LYS QD 2 15 VAL HA . . 6.000 4.528 3.800 5.409 . 0 0 "[ . 1 . 2 . ]" 1
489 2 8 LYS QD 2 36 GLN HE21 . . 6.000 4.467 3.816 4.811 . 0 0 "[ . 1 . 2 . ]" 1
490 2 8 LYS QD 2 36 GLN HG3 . . 5.900 4.767 4.045 5.365 . 0 0 "[ . 1 . 2 . ]" 1
491 2 8 LYS QE 2 9 CYS H . . 6.000 3.789 3.504 4.259 . 0 0 "[ . 1 . 2 . ]" 1
492 2 8 LYS QE 2 9 CYS HB3 . . 6.000 4.944 4.466 5.385 . 0 0 "[ . 1 . 2 . ]" 1
493 2 8 LYS QE 2 10 GLU HA . . 6.000 3.904 2.738 5.049 . 0 0 "[ . 1 . 2 . ]" 1
494 2 8 LYS QE 2 13 GLY HA2 . . 6.000 2.942 2.236 3.788 . 0 0 "[ . 1 . 2 . ]" 1
495 2 8 LYS QE 2 15 VAL QG . . 8.400 2.982 1.888 4.101 . 0 0 "[ . 1 . 2 . ]" 1
496 2 8 LYS QE 2 36 GLN HE22 . . 6.000 4.677 3.229 5.428 . 0 0 "[ . 1 . 2 . ]" 1
497 2 8 LYS N 2 34 VAL O . . 3.000 2.654 2.575 2.708 . 0 0 "[ . 1 . 2 . ]" 1
498 2 8 LYS O 2 34 VAL H . . 2.000 2.022 1.878 2.190 0.190 17 0 "[ . 1 . 2 . ]" 1
499 2 8 LYS O 2 34 VAL N . . 3.000 2.737 2.653 2.871 . 0 0 "[ . 1 . 2 . ]" 1
500 2 9 CYS H 2 9 CYS HB2 . . 3.300 2.667 2.517 2.827 . 0 0 "[ . 1 . 2 . ]" 1
501 2 9 CYS H 2 9 CYS HB3 . . 3.200 2.636 2.562 2.772 . 0 0 "[ . 1 . 2 . ]" 1
502 2 9 CYS H 2 14 GLN H . . 3.800 2.838 2.600 3.174 . 0 0 "[ . 1 . 2 . ]" 1
503 2 9 CYS H 2 14 GLN O . . 2.000 2.046 1.975 2.101 0.101 22 0 "[ . 1 . 2 . ]" 1
504 2 9 CYS HA 2 9 CYS HB2 . . 2.900 2.543 2.496 2.597 . 0 0 "[ . 1 . 2 . ]" 1
505 2 9 CYS HB2 2 13 GLY H . . 3.900 3.928 3.739 4.022 0.122 19 0 "[ . 1 . 2 . ]" 1
506 2 9 CYS HB2 2 33 MET QG . . 3.500 2.102 1.888 2.477 . 0 0 "[ . 1 . 2 . ]" 1
507 2 9 CYS HB3 2 13 GLY H . . 3.300 2.205 2.013 2.289 . 0 0 "[ . 1 . 2 . ]" 1
508 2 9 CYS HB3 2 14 GLN H . . 4.400 1.987 1.848 2.170 . 0 0 "[ . 1 . 2 . ]" 1
509 2 9 CYS HB3 2 33 MET QG . . 6.000 3.640 3.371 4.012 . 0 0 "[ . 1 . 2 . ]" 1
510 2 9 CYS N 2 14 GLN O . . 3.000 2.832 2.738 2.938 . 0 0 "[ . 1 . 2 . ]" 1
511 2 9 CYS SG 2 12 CYS H . . 2.900 2.947 2.825 3.036 0.136 26 0 "[ . 1 . 2 . ]" 1
512 2 9 CYS SG 2 12 CYS N . . 3.800 3.786 3.683 3.824 0.024 21 0 "[ . 1 . 2 . ]" 1
513 2 9 CYS SG 2 12 CYS SG . . 3.780 3.445 3.372 3.542 . 0 0 "[ . 1 . 2 . ]" 1
514 2 9 CYS SG 2 28 CYS SG . . 3.760 3.358 3.291 3.421 . 0 0 "[ . 1 . 2 . ]" 1
515 2 9 CYS SG 2 29 CYS SG . . 3.790 3.685 3.414 3.798 0.008 28 0 "[ . 1 . 2 . ]" 1
516 2 10 GLU H 2 10 GLU QB . . 3.600 2.560 2.403 2.854 . 0 0 "[ . 1 . 2 . ]" 1
517 2 10 GLU H 2 10 GLU HG2 . . 3.700 2.796 2.542 3.091 . 0 0 "[ . 1 . 2 . ]" 1
518 2 10 GLU H 2 10 GLU HG3 . . 4.200 3.760 2.020 4.256 0.056 8 0 "[ . 1 . 2 . ]" 1
519 2 10 GLU H 2 11 LEU H . . 3.100 2.095 1.963 2.405 . 0 0 "[ . 1 . 2 . ]" 1
520 2 10 GLU H 2 34 VAL MG2 . . 6.000 3.144 2.864 3.624 . 0 0 "[ . 1 . 2 . ]" 1
521 2 10 GLU HA 2 10 GLU HG2 . . 2.900 2.882 2.667 2.980 0.080 19 0 "[ . 1 . 2 . ]" 1
522 2 10 GLU HG2 2 11 LEU H . . 5.000 4.590 4.322 4.869 . 0 0 "[ . 1 . 2 . ]" 1
523 2 10 GLU HG2 2 34 VAL MG1 . . 4.600 3.836 3.695 3.919 . 0 0 "[ . 1 . 2 . ]" 1
524 2 10 GLU HG2 2 34 VAL MG2 . . 5.700 2.069 1.956 2.345 . 0 0 "[ . 1 . 2 . ]" 1
525 2 10 GLU HG3 2 34 VAL MG2 . . 4.600 2.421 1.753 3.113 . 0 0 "[ . 1 . 2 . ]" 1
526 2 11 LEU H 2 11 LEU QB . . 3.800 2.627 2.445 3.039 . 0 0 "[ . 1 . 2 . ]" 1
527 2 11 LEU H 2 11 LEU HG . . 3.900 3.164 1.883 4.015 0.115 24 0 "[ . 1 . 2 . ]" 1
528 2 11 LEU H 2 12 CYS H . . 2.800 2.495 2.314 2.772 . 0 0 "[ . 1 . 2 . ]" 1
529 2 11 LEU H 2 13 GLY H . . 3.900 2.541 2.285 3.160 . 0 0 "[ . 1 . 2 . ]" 1
530 2 11 LEU HA 2 11 LEU HG . . 3.300 3.381 3.307 3.511 0.211 22 0 "[ . 1 . 2 . ]" 1
531 2 11 LEU QB 2 12 CYS H . . 4.600 2.294 1.907 2.565 . 0 0 "[ . 1 . 2 . ]" 1
532 2 11 LEU QB 2 13 GLY H . . 4.800 4.088 3.875 4.155 . 0 0 "[ . 1 . 2 . ]" 1
533 2 11 LEU QB 2 29 CYS QB . . 6.900 4.251 3.286 4.985 . 0 0 "[ . 1 . 2 . ]" 1
534 2 11 LEU QD 2 29 CYS HA . . 7.400 4.740 4.326 4.950 . 0 0 "[ . 1 . 2 . ]" 1
535 2 11 LEU QD 2 29 CYS QB . . 8.400 2.958 2.569 3.308 . 0 0 "[ . 1 . 2 . ]" 1
536 2 11 LEU HG 2 12 CYS H . . 4.400 2.799 2.318 3.890 . 0 0 "[ . 1 . 2 . ]" 1
537 2 11 LEU HG 2 29 CYS QB . . 5.600 4.435 3.718 5.139 . 0 0 "[ . 1 . 2 . ]" 1
538 2 12 CYS H 2 12 CYS HB2 . . 4.000 3.560 3.550 3.569 . 0 0 "[ . 1 . 2 . ]" 1
539 2 12 CYS H 2 13 GLY H . . 2.700 2.548 2.486 2.597 . 0 0 "[ . 1 . 2 . ]" 1
540 2 12 CYS H 2 14 GLN H . . 4.200 4.194 4.094 4.248 0.048 13 0 "[ . 1 . 2 . ]" 1
541 2 12 CYS HA 2 12 CYS HB2 . . 2.700 2.414 2.341 2.516 . 0 0 "[ . 1 . 2 . ]" 1
542 2 12 CYS HA 2 12 CYS HB3 . . 2.700 2.436 2.340 2.516 . 0 0 "[ . 1 . 2 . ]" 1
543 2 12 CYS SG 2 14 GLN H . . 2.900 2.765 2.637 2.875 . 0 0 "[ . 1 . 2 . ]" 1
544 2 12 CYS SG 2 14 GLN N . . 3.800 3.531 3.443 3.684 . 0 0 "[ . 1 . 2 . ]" 1
545 2 12 CYS SG 2 28 CYS SG . . 3.600 3.636 3.616 3.664 0.064 25 0 "[ . 1 . 2 . ]" 1
546 2 12 CYS SG 2 29 CYS SG . . 3.700 3.791 3.704 3.913 0.213 17 0 "[ . 1 . 2 . ]" 1
547 2 13 GLY H 2 14 GLN H . . 2.900 2.728 2.371 2.912 0.012 20 0 "[ . 1 . 2 . ]" 1
548 2 14 GLN H 2 14 GLN HA . . 2.700 2.881 2.829 2.908 0.208 25 0 "[ . 1 . 2 . ]" 1
549 2 14 GLN H 2 14 GLN HB2 . . 2.900 2.880 2.645 2.993 0.093 2 0 "[ . 1 . 2 . ]" 1
550 2 14 GLN H 2 14 GLN HB3 . . 2.400 2.349 2.264 2.481 0.081 21 0 "[ . 1 . 2 . ]" 1
551 2 14 GLN H 2 14 GLN HE21 . . 5.000 4.933 4.712 5.117 0.117 28 0 "[ . 1 . 2 . ]" 1
552 2 14 GLN HB2 2 14 GLN HE22 . . 5.000 3.678 3.429 4.224 . 0 0 "[ . 1 . 2 . ]" 1
553 2 14 GLN HB3 2 14 GLN HE21 . . 3.700 2.701 2.520 2.990 . 0 0 "[ . 1 . 2 . ]" 1
554 2 14 GLN HB3 2 14 GLN HE22 . . 4.100 4.023 3.588 4.156 0.056 27 0 "[ . 1 . 2 . ]" 1
555 2 14 GLN HE21 2 33 MET QG . . 6.000 4.868 4.263 5.422 . 0 0 "[ . 1 . 2 . ]" 1
556 2 14 GLN QG 2 15 VAL H . . 6.000 2.171 1.963 2.474 . 0 0 "[ . 1 . 2 . ]" 1
557 2 15 VAL H 2 15 VAL HB . . 2.500 2.607 2.539 2.681 0.181 24 0 "[ . 1 . 2 . ]" 1
558 2 15 VAL H 2 16 VAL H . . 4.700 4.409 4.354 4.455 . 0 0 "[ . 1 . 2 . ]" 1
559 2 15 VAL H 2 16 VAL MG2 . . 6.000 4.891 4.754 4.997 . 0 0 "[ . 1 . 2 . ]" 1
560 2 15 VAL HA 2 15 VAL MG1 . . 3.400 2.347 2.202 2.478 . 0 0 "[ . 1 . 2 . ]" 1
561 2 15 VAL HA 2 16 VAL H . . 2.800 2.220 2.199 2.254 . 0 0 "[ . 1 . 2 . ]" 1
562 2 15 VAL QG 2 16 VAL HA . . 7.400 3.580 3.405 3.781 . 0 0 "[ . 1 . 2 . ]" 1
563 2 16 VAL HA 2 16 VAL HB . . 2.400 2.500 2.467 2.531 0.131 10 0 "[ . 1 . 2 . ]" 1
564 2 16 VAL HA 2 17 LYS H . . 2.400 2.461 2.443 2.487 0.087 23 0 "[ . 1 . 2 . ]" 1
565 2 16 VAL HA 2 17 LYS QB . . 4.500 3.922 3.874 3.971 . 0 0 "[ . 1 . 2 . ]" 1
566 2 16 VAL HB 2 17 LYS H . . 2.400 2.500 2.442 2.542 0.142 29 0 "[ . 1 . 2 . ]" 1
567 2 16 VAL HB 2 26 LEU MD1 . . 6.000 4.539 4.183 4.882 . 0 0 "[ . 1 . 2 . ]" 1
568 2 16 VAL MG2 2 26 LEU MD1 . . 4.400 2.830 2.539 3.015 . 0 0 "[ . 1 . 2 . ]" 1
569 2 17 LYS H 2 17 LYS QB . . 3.100 2.420 2.292 2.481 . 0 0 "[ . 1 . 2 . ]" 1
570 2 17 LYS H 2 17 LYS QD . . 5.500 4.638 4.429 4.817 . 0 0 "[ . 1 . 2 . ]" 1
571 2 17 LYS HA 2 18 VAL H . . 2.400 2.447 2.385 2.513 0.113 8 0 "[ . 1 . 2 . ]" 1
572 2 17 LYS QD 2 19 LEU HA . . 4.500 3.792 2.196 4.205 . 0 0 "[ . 1 . 2 . ]" 1
573 2 17 LYS QG 2 18 VAL H . . 5.200 2.034 1.811 3.190 . 0 0 "[ . 1 . 2 . ]" 1
574 2 18 VAL H 2 18 VAL HB . . 2.600 2.409 2.302 2.519 . 0 0 "[ . 1 . 2 . ]" 1
575 2 18 VAL H 2 18 VAL MG2 . . 4.000 2.804 2.599 3.079 . 0 0 "[ . 1 . 2 . ]" 1
576 2 18 VAL H 2 19 LEU H . . 3.700 3.894 3.849 3.943 0.243 3 0 "[ . 1 . 2 . ]" 1
577 2 18 VAL HA 2 19 LEU H . . 2.600 2.313 2.279 2.337 . 0 0 "[ . 1 . 2 . ]" 1
578 2 18 VAL HA 2 20 GLU H . . 3.400 3.542 3.477 3.620 0.220 22 0 "[ . 1 . 2 . ]" 1
579 2 18 VAL MG1 2 19 LEU H . . 4.500 3.579 3.468 3.660 . 0 0 "[ . 1 . 2 . ]" 1
580 2 18 VAL MG1 2 20 GLU H . . 4.600 3.065 2.912 3.240 . 0 0 "[ . 1 . 2 . ]" 1
581 2 18 VAL MG1 2 20 GLU HA . . 6.000 3.718 3.530 3.838 . 0 0 "[ . 1 . 2 . ]" 1
582 2 18 VAL MG1 2 21 GLU HA . . 5.900 2.409 2.259 2.687 . 0 0 "[ . 1 . 2 . ]" 1
583 2 18 VAL MG1 2 22 GLY H . . 6.000 3.980 3.640 4.355 . 0 0 "[ . 1 . 2 . ]" 1
584 2 18 VAL MG2 2 26 LEU MD1 . . 4.400 2.534 2.000 2.955 . 0 0 "[ . 1 . 2 . ]" 1
585 2 19 LEU H 2 20 GLU H . . 2.700 2.586 2.497 2.732 0.032 22 0 "[ . 1 . 2 . ]" 1
586 2 19 LEU HA 2 19 LEU MD1 . . 4.100 2.927 2.163 3.463 . 0 0 "[ . 1 . 2 . ]" 1
587 2 19 LEU QB 2 20 GLU H . . 4.700 2.736 2.581 2.857 . 0 0 "[ . 1 . 2 . ]" 1
588 2 20 GLU H 2 20 GLU HG3 . . 4.000 3.912 3.334 4.184 0.184 10 0 "[ . 1 . 2 . ]" 1
589 2 20 GLU H 2 21 GLU H . . 5.000 4.118 3.889 4.264 . 0 0 "[ . 1 . 2 . ]" 1
590 2 20 GLU HA 2 20 GLU HG2 . . 4.100 3.403 2.486 3.928 . 0 0 "[ . 1 . 2 . ]" 1
591 2 20 GLU HA 2 20 GLU HG3 . . 3.900 2.828 2.048 3.374 . 0 0 "[ . 1 . 2 . ]" 1
592 2 20 GLU HA 2 21 GLU H . . 3.300 2.209 2.201 2.227 . 0 0 "[ . 1 . 2 . ]" 1
593 2 21 GLU H 2 21 GLU QB . . 3.500 2.365 2.141 2.567 . 0 0 "[ . 1 . 2 . ]" 1
594 2 21 GLU H 2 22 GLY H . . 5.000 4.669 4.657 4.675 . 0 0 "[ . 1 . 2 . ]" 1
595 2 21 GLU HA 2 22 GLY H . . 2.400 2.427 2.370 2.519 0.119 22 0 "[ . 1 . 2 . ]" 1
596 2 21 GLU QB 2 22 GLY H . . 4.200 2.839 2.389 3.504 . 0 0 "[ . 1 . 2 . ]" 1
597 2 21 GLU QG 2 22 GLY H . . 5.900 3.236 1.833 3.945 . 0 0 "[ . 1 . 2 . ]" 1
598 2 23 GLY H 2 24 GLY H . . 3.900 2.680 1.891 3.944 0.044 18 0 "[ . 1 . 2 . ]" 1
599 2 24 GLY H 2 25 THR H . . 5.000 4.176 3.168 4.375 . 0 0 "[ . 1 . 2 . ]" 1
600 2 25 THR H 2 25 THR HB . . 2.600 2.483 2.276 2.604 0.004 3 0 "[ . 1 . 2 . ]" 1
601 2 25 THR H 2 26 LEU H . . 5.000 4.476 4.401 4.550 . 0 0 "[ . 1 . 2 . ]" 1
602 2 25 THR HA 2 26 LEU H . . 2.400 2.296 2.218 2.370 . 0 0 "[ . 1 . 2 . ]" 1
603 2 25 THR HA 2 26 LEU QB . . 6.000 4.390 4.184 4.674 . 0 0 "[ . 1 . 2 . ]" 1
604 2 25 THR HB 2 26 LEU H . . 4.300 4.135 4.035 4.299 . 0 0 "[ . 1 . 2 . ]" 1
605 2 25 THR HB 2 27 VAL MG2 . . 6.000 3.408 2.966 4.341 . 0 0 "[ . 1 . 2 . ]" 1
606 2 25 THR MG 2 27 VAL MG2 . . 4.400 2.395 1.985 2.820 . 0 0 "[ . 1 . 2 . ]" 1
607 2 26 LEU H 2 26 LEU QB . . 3.600 2.391 2.197 2.610 . 0 0 "[ . 1 . 2 . ]" 1
608 2 26 LEU H 2 26 LEU HG . . 3.000 2.655 1.934 3.086 0.086 8 0 "[ . 1 . 2 . ]" 1
609 2 26 LEU H 2 27 VAL H . . 5.000 4.041 3.786 4.180 . 0 0 "[ . 1 . 2 . ]" 1
610 2 26 LEU HA 2 26 LEU MD2 . . 4.300 2.082 1.891 2.461 . 0 0 "[ . 1 . 2 . ]" 1
611 2 26 LEU HA 2 26 LEU HG . . 3.200 3.076 2.788 3.293 0.093 18 0 "[ . 1 . 2 . ]" 1
612 2 26 LEU HA 2 27 VAL H . . 2.400 2.295 2.194 2.396 . 0 0 "[ . 1 . 2 . ]" 1
613 2 26 LEU MD1 2 33 MET HB3 . . 6.000 3.653 3.318 4.320 . 0 0 "[ . 1 . 2 . ]" 1
614 2 26 LEU MD1 2 33 MET ME . . 7.000 2.765 1.952 3.537 . 0 0 "[ . 1 . 2 . ]" 1
615 2 26 LEU MD1 2 33 MET QG . . 7.000 4.793 4.401 5.017 . 0 0 "[ . 1 . 2 . ]" 1
616 2 26 LEU O 2 33 MET H . . 2.000 2.128 2.073 2.190 0.190 24 0 "[ . 1 . 2 . ]" 1
617 2 26 LEU O 2 33 MET N . . 3.000 2.847 2.738 3.023 0.023 18 0 "[ . 1 . 2 . ]" 1
618 2 27 VAL H 2 27 VAL HB . . 2.400 2.151 2.078 2.293 . 0 0 "[ . 1 . 2 . ]" 1
619 2 27 VAL H 2 28 CYS H . . 5.000 4.626 4.611 4.636 . 0 0 "[ . 1 . 2 . ]" 1
620 2 27 VAL HA 2 28 CYS H . . 3.000 2.380 2.315 2.452 . 0 0 "[ . 1 . 2 . ]" 1
621 2 27 VAL HA 2 33 MET H . . 2.700 2.834 2.755 2.920 0.220 27 0 "[ . 1 . 2 . ]" 1
622 2 27 VAL HA 2 33 MET HB2 . . 5.000 4.166 4.003 4.296 . 0 0 "[ . 1 . 2 . ]" 1
623 2 27 VAL HB 2 28 CYS H . . 4.000 4.051 3.922 4.145 0.145 12 0 "[ . 1 . 2 . ]" 1
624 2 27 VAL MG1 2 28 CYS H . . 3.800 2.010 1.888 2.306 . 0 0 "[ . 1 . 2 . ]" 1
625 2 27 VAL MG1 2 29 CYS H . . 6.000 4.019 3.868 4.192 . 0 0 "[ . 1 . 2 . ]" 1
626 2 27 VAL MG1 2 29 CYS HA . . 6.000 5.057 4.934 5.160 . 0 0 "[ . 1 . 2 . ]" 1
627 2 27 VAL MG1 2 30 GLY H . . 4.800 3.548 3.384 3.677 . 0 0 "[ . 1 . 2 . ]" 1
628 2 27 VAL MG1 2 30 GLY HA2 . . 3.900 3.300 3.155 3.365 . 0 0 "[ . 1 . 2 . ]" 1
629 2 27 VAL MG1 2 31 GLU H . . 4.400 2.735 2.534 3.004 . 0 0 "[ . 1 . 2 . ]" 1
630 2 27 VAL MG1 2 31 GLU HA . . 6.000 4.244 4.023 4.453 . 0 0 "[ . 1 . 2 . ]" 1
631 2 27 VAL MG1 2 33 MET H . . 6.000 4.612 4.433 4.720 . 0 0 "[ . 1 . 2 . ]" 1
632 2 27 VAL MG2 2 28 CYS H . . 6.000 3.554 3.340 3.835 . 0 0 "[ . 1 . 2 . ]" 1
633 2 27 VAL MG2 2 32 ASP H . . 6.000 4.582 4.199 4.869 . 0 0 "[ . 1 . 2 . ]" 1
634 2 27 VAL MG2 2 33 MET H . . 6.000 4.359 4.191 4.527 . 0 0 "[ . 1 . 2 . ]" 1
635 2 28 CYS H 2 28 CYS HB2 . . 4.100 4.054 4.009 4.098 . 0 0 "[ . 1 . 2 . ]" 1
636 2 28 CYS H 2 31 GLU H . . 3.300 2.463 2.323 2.568 . 0 0 "[ . 1 . 2 . ]" 1
637 2 28 CYS H 2 31 GLU O . . 2.000 1.905 1.749 2.035 0.035 25 0 "[ . 1 . 2 . ]" 1
638 2 28 CYS H 2 33 MET HB2 . . 4.900 4.734 4.535 4.953 0.053 3 0 "[ . 1 . 2 . ]" 1
639 2 28 CYS HA 2 28 CYS HB2 . . 2.700 2.360 2.307 2.398 . 0 0 "[ . 1 . 2 . ]" 1
640 2 28 CYS HA 2 28 CYS HB3 . . 2.600 2.493 2.448 2.559 . 0 0 "[ . 1 . 2 . ]" 1
641 2 28 CYS HB2 2 33 MET HB2 . . 4.600 4.807 4.724 4.926 0.326 5 0 "[ . 1 . 2 . ]" 1
642 2 28 CYS HB2 2 33 MET QG . . 6.000 4.179 3.390 5.158 . 0 0 "[ . 1 . 2 . ]" 1
643 2 28 CYS N 2 31 GLU O . . 3.000 2.760 2.496 2.955 . 0 0 "[ . 1 . 2 . ]" 1
644 2 28 CYS O 2 31 GLU H . . 2.000 1.971 1.903 2.018 0.018 11 0 "[ . 1 . 2 . ]" 1
645 2 28 CYS O 2 31 GLU N . . 3.000 2.705 2.649 2.743 . 0 0 "[ . 1 . 2 . ]" 1
646 2 28 CYS SG 2 29 CYS SG . . 4.040 4.082 3.989 4.127 0.087 16 0 "[ . 1 . 2 . ]" 1
647 2 29 CYS H 2 29 CYS HA . . 2.500 2.204 2.201 2.208 . 0 0 "[ . 1 . 2 . ]" 1
648 2 29 CYS H 2 30 GLY H . . 3.500 3.092 3.042 3.145 . 0 0 "[ . 1 . 2 . ]" 1
649 2 29 CYS HA 2 30 GLY H . . 3.100 2.542 2.507 2.584 . 0 0 "[ . 1 . 2 . ]" 1
650 2 30 GLY H 2 30 GLY HA2 . . 2.900 2.274 2.265 2.278 . 0 0 "[ . 1 . 2 . ]" 1
651 2 30 GLY H 2 31 GLU H . . 3.700 2.985 2.949 3.015 . 0 0 "[ . 1 . 2 . ]" 1
652 2 31 GLU H 2 31 GLU HG2 . . 4.200 4.241 4.182 4.384 0.184 17 0 "[ . 1 . 2 . ]" 1
653 2 31 GLU H 2 31 GLU HG3 . . 5.000 4.624 4.450 4.788 . 0 0 "[ . 1 . 2 . ]" 1
654 2 31 GLU H 2 32 ASP H . . 4.600 4.280 4.224 4.367 . 0 0 "[ . 1 . 2 . ]" 1
655 2 31 GLU HA 2 31 GLU HG2 . . 3.800 2.492 1.963 3.587 . 0 0 "[ . 1 . 2 . ]" 1
656 2 31 GLU HG2 2 32 ASP H . . 3.800 3.361 2.840 3.744 . 0 0 "[ . 1 . 2 . ]" 1
657 2 31 GLU HG3 2 32 ASP H . . 5.000 3.557 2.047 5.014 0.014 9 0 "[ . 1 . 2 . ]" 1
658 2 32 ASP H 2 32 ASP QB . . 3.600 2.592 2.151 3.129 . 0 0 "[ . 1 . 2 . ]" 1
659 2 32 ASP H 2 34 VAL MG2 . . 6.000 4.993 4.879 5.118 . 0 0 "[ . 1 . 2 . ]" 1
660 2 32 ASP HA 2 33 MET H . . 3.300 2.281 2.253 2.322 . 0 0 "[ . 1 . 2 . ]" 1
661 2 33 MET H 2 33 MET HB2 . . 3.100 2.013 1.976 2.059 . 0 0 "[ . 1 . 2 . ]" 1
662 2 33 MET H 2 33 MET HB3 . . 3.700 3.183 3.107 3.235 . 0 0 "[ . 1 . 2 . ]" 1
663 2 33 MET H 2 33 MET ME . . 6.000 3.790 3.319 5.084 . 0 0 "[ . 1 . 2 . ]" 1
664 2 33 MET H 2 34 VAL H . . 5.000 4.624 4.511 4.675 . 0 0 "[ . 1 . 2 . ]" 1
665 2 33 MET H 2 34 VAL MG2 . . 6.000 5.009 4.894 5.098 . 0 0 "[ . 1 . 2 . ]" 1
666 2 33 MET HA 2 33 MET HB2 . . 2.600 2.818 2.776 2.864 0.264 10 0 "[ . 1 . 2 . ]" 1
667 2 33 MET HA 2 33 MET HB3 . . 2.600 2.974 2.941 3.000 0.400 4 0 "[ . 1 . 2 . ]" 1
668 2 33 MET QG 2 34 VAL MG2 . . 7.000 4.056 3.784 4.360 . 0 0 "[ . 1 . 2 . ]" 1
669 2 34 VAL H 2 34 VAL HB . . 2.500 2.640 2.552 2.726 0.226 23 0 "[ . 1 . 2 . ]" 1
670 2 34 VAL H 2 34 VAL MG2 . . 4.300 2.130 1.872 2.436 . 0 0 "[ . 1 . 2 . ]" 1
671 2 34 VAL HA 2 35 LYS H . . 2.400 2.446 2.392 2.478 0.078 2 0 "[ . 1 . 2 . ]" 1
672 2 34 VAL HB 2 35 LYS H . . 3.400 3.480 3.409 3.542 0.142 29 0 "[ . 1 . 2 . ]" 1
673 2 34 VAL HB 2 36 GLN HE21 . . 4.300 3.601 3.101 3.779 . 0 0 "[ . 1 . 2 . ]" 1
674 2 34 VAL MG1 2 35 LYS H . . 4.400 1.930 1.810 2.045 . 0 0 "[ . 1 . 2 . ]" 1
675 2 34 VAL MG1 2 36 GLN HE21 . . 6.000 3.795 3.528 4.002 . 0 0 "[ . 1 . 2 . ]" 1
676 2 34 VAL MG1 2 36 GLN HE22 . . 5.300 4.051 2.925 4.321 . 0 0 "[ . 1 . 2 . ]" 1
677 2 34 VAL MG2 2 35 LYS H . . 4.700 4.059 4.002 4.144 . 0 0 "[ . 1 . 2 . ]" 1
678 2 34 VAL MG2 2 36 GLN HE21 . . 6.000 5.053 4.579 5.151 . 0 0 "[ . 1 . 2 . ]" 1
679 2 34 VAL MG2 2 36 GLN HE22 . . 6.000 4.890 3.992 5.008 . 0 0 "[ . 1 . 2 . ]" 1
680 2 35 LYS H 2 35 LYS QB . . 3.600 2.573 2.276 2.673 . 0 0 "[ . 1 . 2 . ]" 1
681 2 35 LYS H 2 35 LYS QG . . 4.700 2.552 2.295 3.515 . 0 0 "[ . 1 . 2 . ]" 1
682 2 35 LYS H 2 36 GLN HE21 . . 5.000 4.252 3.766 4.600 . 0 0 "[ . 1 . 2 . ]" 1
683 2 35 LYS HA 2 35 LYS HD3 . . 3.800 3.571 3.482 3.717 . 0 0 "[ . 1 . 2 . ]" 1
684 2 35 LYS HA 2 36 GLN H . . 2.400 2.282 2.187 2.343 . 0 0 "[ . 1 . 2 . ]" 1
685 2 35 LYS HA 2 36 GLN HG2 . . 5.000 3.208 3.075 3.417 . 0 0 "[ . 1 . 2 . ]" 1
686 2 35 LYS QE 2 36 GLN H . . 6.000 4.144 3.529 4.680 . 0 0 "[ . 1 . 2 . ]" 1
687 2 35 LYS QG 2 36 GLN H . . 5.300 3.901 3.390 4.283 . 0 0 "[ . 1 . 2 . ]" 1
688 2 36 GLN H 2 36 GLN QB . . 3.300 2.647 2.540 2.810 . 0 0 "[ . 1 . 2 . ]" 1
689 2 36 GLN H 2 36 GLN HE21 . . 5.000 2.995 2.191 3.466 . 0 0 "[ . 1 . 2 . ]" 1
690 2 36 GLN H 2 36 GLN HE22 . . 5.000 4.599 3.670 5.000 0.000 22 0 "[ . 1 . 2 . ]" 1
691 2 36 GLN H 2 36 GLN HG2 . . 3.300 1.870 1.787 1.973 . 0 0 "[ . 1 . 2 . ]" 1
692 2 36 GLN H 2 36 GLN HG3 . . 3.100 3.306 3.229 3.419 0.319 14 0 "[ . 1 . 2 . ]" 1
693 2 36 GLN HA 2 36 GLN HE22 . . 5.000 3.643 3.400 3.942 . 0 0 "[ . 1 . 2 . ]" 1
694 2 36 GLN HE22 2 36 GLN HG2 . . 3.700 3.473 3.451 3.494 . 0 0 "[ . 1 . 2 . ]" 1
695 2 36 GLN HE22 2 36 GLN HG3 . . 4.000 4.075 4.028 4.102 0.102 1 0 "[ . 1 . 2 . ]" 1
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