NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
600431 |
2n9z   |
25922 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n9z
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 435
_Distance_constraint_stats_list.Viol_count 1023
_Distance_constraint_stats_list.Viol_total 2681.950
_Distance_constraint_stats_list.Viol_max 0.840
_Distance_constraint_stats_list.Viol_rms 0.0548
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0154
_Distance_constraint_stats_list.Viol_average_violations_only 0.1311
_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 ASP 0.201 0.083 8 0 "[ . 1 . 2]"
1 2 CYS 3.247 0.376 4 0 "[ . 1 . 2]"
1 3 ALA 2.311 0.179 12 0 "[ . 1 . 2]"
1 4 LYS 2.502 0.239 13 0 "[ . 1 . 2]"
1 5 GLU 3.122 0.332 17 0 "[ . 1 . 2]"
1 6 GLY 5.646 0.363 2 0 "[ . 1 . 2]"
1 7 GLU 2.973 0.233 2 0 "[ . 1 . 2]"
1 8 VAL 1.414 0.191 13 0 "[ . 1 . 2]"
1 9 CYS 10.723 0.304 8 0 "[ . 1 . 2]"
1 10 SER 3.408 0.304 8 0 "[ . 1 . 2]"
1 11 TRP 3.726 0.203 10 0 "[ . 1 . 2]"
1 12 GLY 3.237 0.264 14 0 "[ . 1 . 2]"
1 13 LYS 0.282 0.089 10 0 "[ . 1 . 2]"
1 14 LYS 8.907 0.840 17 1 "[ . 1 . + 2]"
1 15 CYS 5.279 0.840 17 1 "[ . 1 . + 2]"
1 16 CYS 6.945 0.376 4 0 "[ . 1 . 2]"
1 17 ASP 2.445 0.164 17 0 "[ . 1 . 2]"
1 18 LEU 2.280 0.267 8 0 "[ . 1 . 2]"
1 19 ASP 0.546 0.180 6 0 "[ . 1 . 2]"
1 20 ASN 5.556 0.340 12 0 "[ . 1 . 2]"
1 21 PHE 14.323 0.381 4 0 "[ . 1 . 2]"
1 22 TYR 36.252 0.584 15 6 "[* .* * 1-* + 2]"
1 23 CYS 5.247 0.261 19 0 "[ . 1 . 2]"
1 24 PRO 21.813 0.584 15 6 "[* .* * 1-* + 2]"
1 25 MET 3.775 0.243 15 0 "[ . 1 . 2]"
1 26 GLU 3.968 0.426 7 0 "[ . 1 . 2]"
1 27 PHE 4.511 0.426 7 0 "[ . 1 . 2]"
1 28 ILE 2.513 0.203 10 0 "[ . 1 . 2]"
1 29 PRO 9.765 0.284 20 0 "[ . 1 . 2]"
1 30 HIS 12.819 0.363 2 0 "[ . 1 . 2]"
1 31 CYS 5.658 0.332 17 0 "[ . 1 . 2]"
1 32 LYS 12.843 0.394 6 0 "[ . 1 . 2]"
1 33 LYS 6.274 0.381 4 0 "[ . 1 . 2]"
1 34 TYR 25.215 0.452 3 0 "[ . 1 . 2]"
1 35 LYS 7.451 0.452 3 0 "[ . 1 . 2]"
1 36 PRO 3.533 0.394 1 0 "[ . 1 . 2]"
1 37 TYR 2.950 0.206 9 0 "[ . 1 . 2]"
1 38 VAL 0.391 0.127 1 0 "[ . 1 . 2]"
1 39 PRO 0.734 0.220 19 0 "[ . 1 . 2]"
1 40 VAL 0.734 0.220 19 0 "[ . 1 . 2]"
1 41 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 THR 0.000 0.000 . 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 ASP HA 1 2 CYS H 3.440 . 3.440 2.778 2.209 3.523 0.083 8 0 "[ . 1 . 2]" 1
2 1 1 ASP QB 1 2 CYS H 3.720 . 3.720 2.978 1.793 3.755 0.035 15 0 "[ . 1 . 2]" 1
3 1 2 CYS H 1 2 CYS HB3 4.030 . 4.030 3.308 2.822 3.598 . 0 0 "[ . 1 . 2]" 1
4 1 2 CYS H 1 3 ALA H 5.500 . 5.500 4.398 4.372 4.559 . 0 0 "[ . 1 . 2]" 1
5 1 2 CYS H 1 3 ALA MB 5.500 . 5.500 5.387 5.149 5.490 . 0 0 "[ . 1 . 2]" 1
6 1 2 CYS HA 1 3 ALA H 3.500 . 3.500 2.413 2.289 2.510 . 0 0 "[ . 1 . 2]" 1
7 1 2 CYS HA 1 3 ALA MB 4.250 . 4.250 3.955 3.824 4.038 . 0 0 "[ . 1 . 2]" 1
8 1 2 CYS HA 1 14 LYS H 5.480 . 5.480 4.045 3.522 4.507 . 0 0 "[ . 1 . 2]" 1
9 1 2 CYS HA 1 16 CYS H 5.290 . 5.290 4.810 4.369 5.251 . 0 0 "[ . 1 . 2]" 1
10 1 2 CYS HB2 1 3 ALA H 3.770 . 3.770 2.600 2.299 3.806 0.036 12 0 "[ . 1 . 2]" 1
11 1 2 CYS HB2 1 14 LYS H 5.300 . 5.300 5.265 4.839 5.490 0.190 5 0 "[ . 1 . 2]" 1
12 1 2 CYS HB3 1 3 ALA H 4.020 . 4.020 3.767 3.568 3.879 . 0 0 "[ . 1 . 2]" 1
13 1 2 CYS HB3 1 16 CYS H 4.480 . 4.480 4.550 4.244 4.856 0.376 4 0 "[ . 1 . 2]" 1
14 1 3 ALA H 1 3 ALA MB 3.510 . 3.510 2.149 2.039 2.272 . 0 0 "[ . 1 . 2]" 1
15 1 3 ALA H 1 4 LYS H 5.140 . 5.140 4.450 4.303 4.612 . 0 0 "[ . 1 . 2]" 1
16 1 3 ALA H 1 9 CYS HA 5.500 . 5.500 5.551 5.325 5.672 0.172 11 0 "[ . 1 . 2]" 1
17 1 3 ALA H 1 14 LYS H 5.500 . 5.500 4.171 3.506 4.540 . 0 0 "[ . 1 . 2]" 1
18 1 3 ALA H 1 15 CYS HA 3.920 . 3.920 2.735 2.139 3.117 . 0 0 "[ . 1 . 2]" 1
19 1 3 ALA H 1 16 CYS H 4.230 . 4.230 3.057 2.402 3.550 . 0 0 "[ . 1 . 2]" 1
20 1 3 ALA H 1 16 CYS HA 4.510 . 4.510 4.331 3.924 4.689 0.179 12 0 "[ . 1 . 2]" 1
21 1 3 ALA HA 1 4 LYS H 3.110 . 3.110 2.160 2.137 2.261 . 0 0 "[ . 1 . 2]" 1
22 1 3 ALA HA 1 16 CYS H 5.500 . 5.500 4.630 4.326 4.905 . 0 0 "[ . 1 . 2]" 1
23 1 3 ALA MB 1 4 LYS H 4.040 . 4.040 3.211 2.819 3.454 . 0 0 "[ . 1 . 2]" 1
24 1 3 ALA MB 1 4 LYS HA 5.500 . 5.500 4.307 4.054 4.451 . 0 0 "[ . 1 . 2]" 1
25 1 3 ALA MB 1 7 GLU H 4.290 . 4.290 4.081 3.690 4.350 0.060 5 0 "[ . 1 . 2]" 1
26 1 3 ALA MB 1 7 GLU QB 4.220 . 4.220 2.200 1.967 2.628 . 0 0 "[ . 1 . 2]" 1
27 1 3 ALA MB 1 7 GLU QG 4.590 . 4.590 3.348 2.388 4.269 . 0 0 "[ . 1 . 2]" 1
28 1 3 ALA MB 1 9 CYS HA 3.990 . 3.990 3.150 2.877 3.513 . 0 0 "[ . 1 . 2]" 1
29 1 3 ALA MB 1 9 CYS HB2 . . 4.650 3.693 2.900 4.472 . 0 0 "[ . 1 . 2]" 1
30 1 3 ALA MB 1 9 CYS HB3 . . 3.790 2.906 2.458 3.631 . 0 0 "[ . 1 . 2]" 1
31 1 3 ALA MB 1 14 LYS H 4.170 . 4.170 4.058 3.555 4.266 0.096 14 0 "[ . 1 . 2]" 1
32 1 3 ALA MB 1 15 CYS H 5.420 . 5.420 3.951 3.485 4.454 . 0 0 "[ . 1 . 2]" 1
33 1 3 ALA MB 1 15 CYS HA 3.620 . 3.620 2.354 2.063 2.762 . 0 0 "[ . 1 . 2]" 1
34 1 3 ALA MB 1 16 CYS H 4.350 . 4.350 3.525 3.199 3.949 . 0 0 "[ . 1 . 2]" 1
35 1 4 LYS H 1 4 LYS HB2 4.040 . 4.040 2.408 2.202 2.512 . 0 0 "[ . 1 . 2]" 1
36 1 4 LYS H 1 4 LYS HB3 3.690 . 3.690 3.493 2.896 3.701 0.011 6 0 "[ . 1 . 2]" 1
37 1 4 LYS H 1 4 LYS QD 4.040 . 4.040 3.825 3.577 4.006 . 0 0 "[ . 1 . 2]" 1
38 1 4 LYS H 1 4 LYS QG 4.380 . 4.380 2.750 2.282 4.054 . 0 0 "[ . 1 . 2]" 1
39 1 4 LYS H 1 5 GLU H 5.470 . 5.470 4.491 4.370 4.582 . 0 0 "[ . 1 . 2]" 1
40 1 4 LYS H 1 7 GLU H 5.500 . 5.500 4.391 3.855 4.750 . 0 0 "[ . 1 . 2]" 1
41 1 4 LYS H 1 7 GLU HB3 4.480 . 4.480 2.926 1.812 3.545 . 0 0 "[ . 1 . 2]" 1
42 1 4 LYS H 1 7 GLU HG3 4.030 . 4.030 2.661 1.730 4.072 0.042 19 0 "[ . 1 . 2]" 1
43 1 4 LYS HA 1 4 LYS HD3 4.450 . 4.450 4.226 3.549 4.548 0.098 6 0 "[ . 1 . 2]" 1
44 1 4 LYS HA 1 4 LYS HG3 4.060 . 4.060 2.852 2.306 3.068 . 0 0 "[ . 1 . 2]" 1
45 1 4 LYS HA 1 5 GLU H 3.550 . 3.550 2.638 2.463 2.825 . 0 0 "[ . 1 . 2]" 1
46 1 4 LYS HA 1 16 CYS H 5.400 . 5.400 3.727 3.291 4.133 . 0 0 "[ . 1 . 2]" 1
47 1 4 LYS HA 1 16 CYS HB2 5.500 . 5.500 3.142 2.904 3.515 . 0 0 "[ . 1 . 2]" 1
48 1 4 LYS HA 1 16 CYS HB3 . . 4.320 4.393 4.189 4.559 0.239 13 0 "[ . 1 . 2]" 1
49 1 4 LYS HB2 1 5 GLU H 3.550 . 3.550 3.346 2.823 3.634 0.084 9 0 "[ . 1 . 2]" 1
50 1 4 LYS HB3 1 5 GLU H 3.980 . 3.980 2.147 1.806 2.423 . 0 0 "[ . 1 . 2]" 1
51 1 4 LYS QD 1 5 GLU H 4.950 . 4.950 4.235 3.778 4.946 . 0 0 "[ . 1 . 2]" 1
52 1 4 LYS QG 1 5 GLU H 4.590 . 4.590 3.360 1.765 3.860 . 0 0 "[ . 1 . 2]" 1
53 1 5 GLU H 1 5 GLU HB2 3.600 . 3.600 2.528 2.431 2.732 . 0 0 "[ . 1 . 2]" 1
54 1 5 GLU H 1 5 GLU HB3 3.400 . 3.400 2.541 2.358 2.649 . 0 0 "[ . 1 . 2]" 1
55 1 5 GLU H 1 5 GLU HG2 4.670 . 4.670 4.446 4.322 4.505 . 0 0 "[ . 1 . 2]" 1
56 1 5 GLU H 1 5 GLU HG3 4.610 . 4.610 4.441 4.361 4.635 0.025 14 0 "[ . 1 . 2]" 1
57 1 5 GLU H 1 6 GLY H 5.500 . 5.500 4.551 4.530 4.589 . 0 0 "[ . 1 . 2]" 1
58 1 5 GLU H 1 21 PHE QE 4.550 . 4.550 4.590 4.252 4.848 0.298 8 0 "[ . 1 . 2]" 1
59 1 5 GLU HA 1 5 GLU HG2 4.020 . 4.020 3.069 2.320 3.394 . 0 0 "[ . 1 . 2]" 1
60 1 5 GLU HA 1 5 GLU HG3 3.700 . 3.700 2.570 2.426 3.556 . 0 0 "[ . 1 . 2]" 1
61 1 5 GLU HA 1 6 GLY H 3.430 . 3.430 2.141 2.125 2.167 . 0 0 "[ . 1 . 2]" 1
62 1 5 GLU HA 1 6 GLY HA3 5.430 . 5.430 4.430 4.402 4.452 . 0 0 "[ . 1 . 2]" 1
63 1 5 GLU HA 1 7 GLU H 4.360 . 4.360 3.348 3.230 3.670 . 0 0 "[ . 1 . 2]" 1
64 1 5 GLU HA 1 21 PHE QD 4.060 . 4.060 3.333 3.106 3.535 . 0 0 "[ . 1 . 2]" 1
65 1 5 GLU HA 1 21 PHE QE 4.180 . 4.180 3.438 3.030 3.804 . 0 0 "[ . 1 . 2]" 1
66 1 5 GLU HA 1 31 CYS HB2 3.080 . 3.080 2.513 2.314 3.412 0.332 17 0 "[ . 1 . 2]" 1
67 1 5 GLU HA 1 31 CYS HB3 4.000 . 4.000 2.425 2.142 2.741 . 0 0 "[ . 1 . 2]" 1
68 1 5 GLU HB2 1 6 GLY H 4.580 . 4.580 4.189 4.088 4.252 . 0 0 "[ . 1 . 2]" 1
69 1 5 GLU HB2 1 21 PHE QD 3.930 . 3.930 3.946 3.810 4.022 0.092 13 0 "[ . 1 . 2]" 1
70 1 5 GLU HB2 1 21 PHE QE 3.900 . 3.900 2.420 2.317 2.708 . 0 0 "[ . 1 . 2]" 1
71 1 5 GLU HB3 1 6 GLY H 4.290 . 4.290 4.178 4.044 4.285 . 0 0 "[ . 1 . 2]" 1
72 1 5 GLU HG2 1 6 GLY H 4.230 . 4.230 3.032 2.392 3.432 . 0 0 "[ . 1 . 2]" 1
73 1 5 GLU HG3 1 6 GLY H 3.880 . 3.880 3.007 2.639 4.083 0.203 11 0 "[ . 1 . 2]" 1
74 1 5 GLU HG3 1 33 LYS H 4.540 . 4.540 3.663 3.192 4.365 . 0 0 "[ . 1 . 2]" 1
75 1 6 GLY H 1 7 GLU H . . 3.760 2.546 2.482 2.677 . 0 0 "[ . 1 . 2]" 1
76 1 6 GLY H 1 21 PHE QD 5.030 . 5.030 4.166 3.583 4.797 . 0 0 "[ . 1 . 2]" 1
77 1 6 GLY H 1 21 PHE QE 5.430 . 5.430 4.737 4.147 5.199 . 0 0 "[ . 1 . 2]" 1
78 1 6 GLY H 1 30 HIS HB3 5.070 . 5.070 3.753 3.286 4.100 . 0 0 "[ . 1 . 2]" 1
79 1 6 GLY H 1 31 CYS HB2 3.970 . 3.970 2.378 1.922 3.572 . 0 0 "[ . 1 . 2]" 1
80 1 6 GLY H 1 31 CYS HB3 4.530 . 4.530 3.135 2.932 3.455 . 0 0 "[ . 1 . 2]" 1
81 1 6 GLY H 1 32 LYS HA 4.720 . 4.720 3.925 3.720 4.366 . 0 0 "[ . 1 . 2]" 1
82 1 6 GLY HA2 1 30 HIS HB3 4.130 . 4.130 2.279 2.170 2.343 . 0 0 "[ . 1 . 2]" 1
83 1 6 GLY HA3 1 7 GLU H 3.900 . 3.900 3.326 3.228 3.517 . 0 0 "[ . 1 . 2]" 1
84 1 6 GLY HA3 1 30 HIS HB2 4.930 . 4.930 5.099 5.026 5.293 0.363 2 0 "[ . 1 . 2]" 1
85 1 6 GLY HA3 1 30 HIS HB3 . . 3.970 3.763 3.667 3.843 . 0 0 "[ . 1 . 2]" 1
86 1 6 GLY HA3 1 30 HIS HD2 4.980 . 4.980 5.062 4.693 5.182 0.202 10 0 "[ . 1 . 2]" 1
87 1 7 GLU H 1 7 GLU HB3 3.760 . 3.760 3.328 2.642 3.738 . 0 0 "[ . 1 . 2]" 1
88 1 7 GLU H 1 31 CYS HB2 3.390 . 3.390 2.382 2.163 3.298 . 0 0 "[ . 1 . 2]" 1
89 1 7 GLU H 1 31 CYS HB3 3.820 . 3.820 3.952 3.689 4.053 0.233 2 0 "[ . 1 . 2]" 1
90 1 7 GLU HA 1 8 VAL H 3.200 . 3.200 2.302 2.216 2.955 . 0 0 "[ . 1 . 2]" 1
91 1 7 GLU HA 1 8 VAL MG2 4.560 . 4.560 3.669 3.502 3.779 . 0 0 "[ . 1 . 2]" 1
92 1 7 GLU HA 1 30 HIS HD2 4.370 . 4.370 3.182 2.856 4.293 . 0 0 "[ . 1 . 2]" 1
93 1 7 GLU QB 1 30 HIS HD2 5.500 . 5.500 4.826 4.430 5.596 0.096 2 0 "[ . 1 . 2]" 1
94 1 8 VAL H 1 8 VAL HB 3.420 . 3.420 2.504 2.414 3.462 0.042 2 0 "[ . 1 . 2]" 1
95 1 8 VAL H 1 8 VAL MG1 4.320 . 4.320 3.756 3.732 4.048 . 0 0 "[ . 1 . 2]" 1
96 1 8 VAL H 1 8 VAL MG2 3.660 . 3.660 2.193 2.054 2.717 . 0 0 "[ . 1 . 2]" 1
97 1 8 VAL H 1 9 CYS H 5.500 . 5.500 4.585 4.196 4.650 . 0 0 "[ . 1 . 2]" 1
98 1 8 VAL H 1 30 HIS HA 4.690 . 4.690 4.324 2.797 4.556 . 0 0 "[ . 1 . 2]" 1
99 1 8 VAL H 1 30 HIS HD2 4.880 . 4.880 3.043 2.269 3.470 . 0 0 "[ . 1 . 2]" 1
100 1 8 VAL HA 1 9 CYS H 3.200 . 3.200 2.197 2.163 2.244 . 0 0 "[ . 1 . 2]" 1
101 1 8 VAL HA 1 30 HIS HA 4.150 . 4.150 2.610 2.279 2.785 . 0 0 "[ . 1 . 2]" 1
102 1 8 VAL HA 1 30 HIS HD2 4.460 . 4.460 3.008 2.715 3.176 . 0 0 "[ . 1 . 2]" 1
103 1 8 VAL HA 1 31 CYS H 3.990 . 3.990 4.009 3.646 4.181 0.191 13 0 "[ . 1 . 2]" 1
104 1 8 VAL HB 1 30 HIS HD2 5.330 . 5.330 4.689 4.344 4.983 . 0 0 "[ . 1 . 2]" 1
105 1 8 VAL MG1 1 9 CYS H 3.810 . 3.810 2.349 2.080 2.646 . 0 0 "[ . 1 . 2]" 1
106 1 8 VAL MG2 1 9 CYS H 4.230 . 4.230 3.863 3.747 3.991 . 0 0 "[ . 1 . 2]" 1
107 1 8 VAL MG2 1 30 HIS HA 5.180 . 5.180 4.007 3.465 4.196 . 0 0 "[ . 1 . 2]" 1
108 1 8 VAL MG2 1 30 HIS HD2 3.850 . 3.850 2.526 2.187 2.787 . 0 0 "[ . 1 . 2]" 1
109 1 8 VAL MG2 1 30 HIS HE1 4.890 . 4.890 4.025 3.350 4.392 . 0 0 "[ . 1 . 2]" 1
110 1 9 CYS H 1 9 CYS HB3 4.350 . 4.350 3.156 2.761 3.300 . 0 0 "[ . 1 . 2]" 1
111 1 9 CYS H 1 10 SER H 5.200 . 5.200 4.354 4.047 4.471 . 0 0 "[ . 1 . 2]" 1
112 1 9 CYS H 1 29 PRO HB2 5.140 . 5.140 3.046 2.967 3.137 . 0 0 "[ . 1 . 2]" 1
113 1 9 CYS H 1 29 PRO HB3 4.550 . 4.550 4.708 4.625 4.768 0.218 10 0 "[ . 1 . 2]" 1
114 1 9 CYS H 1 29 PRO QD 4.730 . 4.730 3.965 3.735 4.446 . 0 0 "[ . 1 . 2]" 1
115 1 9 CYS H 1 29 PRO HG2 4.530 . 4.530 4.704 4.629 4.814 0.284 20 0 "[ . 1 . 2]" 1
116 1 9 CYS H 1 30 HIS HD2 4.960 . 4.960 5.042 4.772 5.146 0.186 16 0 "[ . 1 . 2]" 1
117 1 9 CYS H 1 31 CYS H 4.970 . 4.970 4.315 4.056 4.587 . 0 0 "[ . 1 . 2]" 1
118 1 9 CYS HA 1 10 SER H 3.620 . 3.620 2.544 2.106 2.893 . 0 0 "[ . 1 . 2]" 1
119 1 9 CYS HA 1 13 LYS H 5.500 . 5.500 3.416 2.041 4.767 . 0 0 "[ . 1 . 2]" 1
120 1 9 CYS HA 1 13 LYS HB3 . . 4.040 3.785 2.628 4.129 0.089 10 0 "[ . 1 . 2]" 1
121 1 9 CYS HA 1 15 CYS H 5.500 . 5.500 4.700 4.008 5.136 . 0 0 "[ . 1 . 2]" 1
122 1 9 CYS HB2 1 10 SER H 3.810 . 3.810 2.331 1.803 3.569 . 0 0 "[ . 1 . 2]" 1
123 1 9 CYS HB2 1 15 CYS H 5.500 . 5.500 3.223 2.279 3.737 . 0 0 "[ . 1 . 2]" 1
124 1 9 CYS HB2 1 31 CYS H 5.500 . 5.500 5.264 4.849 5.586 0.086 2 0 "[ . 1 . 2]" 1
125 1 9 CYS HB3 1 10 SER H 4.050 . 4.050 3.702 3.363 4.354 0.304 8 0 "[ . 1 . 2]" 1
126 1 9 CYS HB3 1 15 CYS H 4.640 . 4.640 4.151 3.398 4.502 . 0 0 "[ . 1 . 2]" 1
127 1 10 SER H 1 13 LYS H 4.470 . 4.470 3.345 2.473 3.863 . 0 0 "[ . 1 . 2]" 1
128 1 10 SER H 1 14 LYS HA 4.160 . 4.160 3.507 2.843 3.816 . 0 0 "[ . 1 . 2]" 1
129 1 10 SER HA 1 11 TRP H 3.470 . 3.470 3.370 2.976 3.534 0.064 7 0 "[ . 1 . 2]" 1
130 1 10 SER HB2 1 11 TRP H 3.790 . 3.790 3.165 1.781 3.601 . 0 0 "[ . 1 . 2]" 1
131 1 10 SER HB2 1 12 GLY H 4.870 . 4.870 4.732 3.052 5.134 0.264 14 0 "[ . 1 . 2]" 1
132 1 10 SER HB3 1 11 TRP H 4.080 . 4.080 2.758 1.724 4.154 0.074 13 0 "[ . 1 . 2]" 1
133 1 10 SER HB3 1 12 GLY H 4.380 . 4.380 4.029 2.945 4.620 0.240 15 0 "[ . 1 . 2]" 1
134 1 11 TRP H 1 11 TRP HB2 3.960 . 3.960 2.752 2.067 3.579 . 0 0 "[ . 1 . 2]" 1
135 1 11 TRP H 1 11 TRP HB3 3.860 . 3.860 2.876 2.336 3.982 0.122 5 0 "[ . 1 . 2]" 1
136 1 11 TRP H 1 11 TRP HD1 5.000 . 5.000 3.463 2.281 4.763 . 0 0 "[ . 1 . 2]" 1
137 1 11 TRP H 1 11 TRP HE3 5.500 . 5.500 5.149 4.677 5.359 . 0 0 "[ . 1 . 2]" 1
138 1 11 TRP H 1 12 GLY H 4.050 . 4.050 2.921 2.671 3.314 . 0 0 "[ . 1 . 2]" 1
139 1 11 TRP H 1 13 LYS H 5.500 . 5.500 3.854 3.186 5.394 . 0 0 "[ . 1 . 2]" 1
140 1 11 TRP HA 1 11 TRP HD1 4.430 . 4.430 4.102 3.091 4.471 0.041 10 0 "[ . 1 . 2]" 1
141 1 11 TRP HA 1 12 GLY H 4.090 . 4.090 3.181 2.715 3.547 . 0 0 "[ . 1 . 2]" 1
142 1 11 TRP HB2 1 11 TRP HE3 4.090 . 4.090 3.554 2.559 4.231 0.141 15 0 "[ . 1 . 2]" 1
143 1 11 TRP HB2 1 12 GLY H 4.740 . 4.740 4.168 3.828 4.489 . 0 0 "[ . 1 . 2]" 1
144 1 11 TRP HB3 1 11 TRP HE3 4.060 . 4.060 3.426 2.620 4.126 0.066 20 0 "[ . 1 . 2]" 1
145 1 11 TRP HB3 1 12 GLY H 4.430 . 4.430 4.004 3.435 4.303 . 0 0 "[ . 1 . 2]" 1
146 1 11 TRP HD1 1 28 ILE MG 5.210 . 5.210 4.304 2.925 5.413 0.203 10 0 "[ . 1 . 2]" 1
147 1 11 TRP HE1 1 28 ILE HA 5.500 . 5.500 3.523 2.204 5.467 . 0 0 "[ . 1 . 2]" 1
148 1 11 TRP HE1 1 29 PRO QD 5.500 . 5.500 3.611 1.899 5.576 0.076 6 0 "[ . 1 . 2]" 1
149 1 11 TRP HE3 1 12 GLY H 4.920 . 4.920 4.338 4.117 4.583 . 0 0 "[ . 1 . 2]" 1
150 1 11 TRP HE3 1 12 GLY HA2 5.040 . 5.040 4.344 3.199 5.122 0.082 16 0 "[ . 1 . 2]" 1
151 1 11 TRP HE3 1 12 GLY HA3 5.140 . 5.140 4.249 3.149 4.817 . 0 0 "[ . 1 . 2]" 1
152 1 12 GLY H 1 13 LYS H 3.900 . 3.900 2.386 1.622 3.135 . 0 0 "[ . 1 . 2]" 1
153 1 12 GLY HA2 1 13 LYS H 4.370 . 4.370 3.372 3.189 3.564 . 0 0 "[ . 1 . 2]" 1
154 1 12 GLY HA3 1 13 LYS H 4.300 . 4.300 3.053 2.310 3.372 . 0 0 "[ . 1 . 2]" 1
155 1 13 LYS H 1 13 LYS HB2 4.120 . 4.120 2.803 2.393 3.357 . 0 0 "[ . 1 . 2]" 1
156 1 13 LYS H 1 13 LYS HB3 4.100 . 4.100 3.659 2.899 3.847 . 0 0 "[ . 1 . 2]" 1
157 1 13 LYS H 1 14 LYS H 4.970 . 4.970 4.397 4.139 4.509 . 0 0 "[ . 1 . 2]" 1
158 1 14 LYS H 1 14 LYS HA 3.100 . 3.100 2.955 2.931 2.963 . 0 0 "[ . 1 . 2]" 1
159 1 14 LYS H 1 14 LYS HB2 3.480 . 3.480 2.622 2.447 3.671 0.191 15 0 "[ . 1 . 2]" 1
160 1 14 LYS H 1 14 LYS HB3 3.670 . 3.670 3.622 2.897 3.754 0.084 4 0 "[ . 1 . 2]" 1
161 1 14 LYS H 1 14 LYS HG3 3.710 . 3.710 2.797 2.465 3.803 0.093 17 0 "[ . 1 . 2]" 1
162 1 14 LYS H 1 15 CYS H 4.870 . 4.870 4.433 4.347 4.516 . 0 0 "[ . 1 . 2]" 1
163 1 14 LYS H 1 18 LEU QD 5.010 . 5.010 5.078 4.844 5.277 0.267 8 0 "[ . 1 . 2]" 1
164 1 14 LYS HA 1 15 CYS H 3.270 . 3.270 2.144 2.100 2.206 . 0 0 "[ . 1 . 2]" 1
165 1 14 LYS HA 1 15 CYS HB3 4.660 . 4.660 4.924 4.830 5.500 0.840 17 1 "[ . 1 . + 2]" 1
166 1 14 LYS HA 1 18 LEU QD 4.170 . 4.170 3.098 2.776 3.570 . 0 0 "[ . 1 . 2]" 1
167 1 14 LYS QB 1 15 CYS H 3.880 . 3.880 3.057 2.901 3.240 . 0 0 "[ . 1 . 2]" 1
168 1 14 LYS HB3 1 18 LEU QD 3.520 . 3.520 2.663 2.121 3.603 0.083 1 0 "[ . 1 . 2]" 1
169 1 15 CYS H 1 15 CYS HB2 3.990 . 3.990 2.278 2.101 2.404 . 0 0 "[ . 1 . 2]" 1
170 1 15 CYS H 1 15 CYS HB3 3.760 . 3.760 2.797 2.681 3.415 . 0 0 "[ . 1 . 2]" 1
171 1 15 CYS H 1 16 CYS H 5.500 . 5.500 4.579 4.521 4.628 . 0 0 "[ . 1 . 2]" 1
172 1 15 CYS H 1 18 LEU QD 4.080 . 4.080 2.268 1.919 3.104 . 0 0 "[ . 1 . 2]" 1
173 1 15 CYS HA 1 16 CYS H 3.500 . 3.500 2.210 2.155 2.318 . 0 0 "[ . 1 . 2]" 1
174 1 15 CYS HB2 1 18 LEU QD . . 3.930 2.446 2.061 3.494 . 0 0 "[ . 1 . 2]" 1
175 1 15 CYS HB3 1 18 LEU QD . . 3.830 2.308 2.094 3.205 . 0 0 "[ . 1 . 2]" 1
176 1 16 CYS H 1 16 CYS HB2 3.650 . 3.650 2.210 2.044 2.447 . 0 0 "[ . 1 . 2]" 1
177 1 16 CYS H 1 16 CYS HB3 3.910 . 3.910 3.384 3.125 3.561 . 0 0 "[ . 1 . 2]" 1
178 1 16 CYS H 1 17 ASP H 4.760 . 4.760 2.833 2.645 3.109 . 0 0 "[ . 1 . 2]" 1
179 1 16 CYS HA 1 17 ASP H 3.390 . 3.390 3.510 3.378 3.554 0.164 17 0 "[ . 1 . 2]" 1
180 1 16 CYS HB2 1 17 ASP H 3.790 . 3.790 3.056 2.608 3.573 . 0 0 "[ . 1 . 2]" 1
181 1 16 CYS HB3 1 17 ASP H 4.510 . 4.510 3.166 2.124 4.090 . 0 0 "[ . 1 . 2]" 1
182 1 17 ASP H 1 17 ASP HB2 4.270 . 4.270 2.594 2.353 2.888 . 0 0 "[ . 1 . 2]" 1
183 1 17 ASP H 1 17 ASP HB3 3.940 . 3.940 3.723 3.579 3.843 . 0 0 "[ . 1 . 2]" 1
184 1 17 ASP H 1 21 PHE QD 4.920 . 4.920 4.003 3.745 4.581 . 0 0 "[ . 1 . 2]" 1
185 1 17 ASP HB2 1 20 ASN H 5.500 . 5.500 3.973 3.732 4.476 . 0 0 "[ . 1 . 2]" 1
186 1 17 ASP HB2 1 21 PHE QD 3.380 . 3.380 2.352 2.294 2.533 . 0 0 "[ . 1 . 2]" 1
187 1 17 ASP HB2 1 21 PHE QE 4.200 . 4.200 3.012 2.721 4.145 . 0 0 "[ . 1 . 2]" 1
188 1 17 ASP HB3 1 21 PHE QD 3.090 . 3.090 2.598 2.347 3.038 . 0 0 "[ . 1 . 2]" 1
189 1 17 ASP HB3 1 21 PHE QE 3.930 . 3.930 3.549 3.143 3.957 0.027 6 0 "[ . 1 . 2]" 1
190 1 18 LEU H 1 18 LEU QB 3.540 . 3.540 2.344 2.240 2.943 . 0 0 "[ . 1 . 2]" 1
191 1 18 LEU H 1 18 LEU QD 4.060 . 4.060 3.158 3.037 3.611 . 0 0 "[ . 1 . 2]" 1
192 1 18 LEU H 1 18 LEU HG 3.510 . 3.510 2.511 2.278 3.013 . 0 0 "[ . 1 . 2]" 1
193 1 18 LEU H 1 19 ASP H 3.800 . 3.800 2.528 2.356 2.835 . 0 0 "[ . 1 . 2]" 1
194 1 18 LEU H 1 19 ASP QB 4.560 . 4.560 4.466 4.251 4.740 0.180 6 0 "[ . 1 . 2]" 1
195 1 18 LEU H 1 20 ASN H 5.280 . 5.280 4.339 4.069 4.924 . 0 0 "[ . 1 . 2]" 1
196 1 18 LEU HA 1 18 LEU HG 4.090 . 4.090 2.647 2.331 2.748 . 0 0 "[ . 1 . 2]" 1
197 1 18 LEU QD 1 19 ASP H 4.550 . 4.550 4.339 4.276 4.415 . 0 0 "[ . 1 . 2]" 1
198 1 18 LEU QD 1 23 CYS H 4.870 . 4.870 4.265 3.731 4.936 0.066 6 0 "[ . 1 . 2]" 1
199 1 18 LEU HG 1 19 ASP H 4.820 . 4.820 4.596 4.477 4.971 0.151 6 0 "[ . 1 . 2]" 1
200 1 19 ASP H 1 19 ASP QB 3.210 . 3.210 2.400 2.260 2.691 . 0 0 "[ . 1 . 2]" 1
201 1 19 ASP H 1 20 ASN H 3.170 . 3.170 2.466 2.250 2.616 . 0 0 "[ . 1 . 2]" 1
202 1 19 ASP HA 1 20 ASN H 4.190 . 4.190 3.487 3.243 3.575 . 0 0 "[ . 1 . 2]" 1
203 1 19 ASP HA 1 34 TYR QE 4.700 . 4.700 4.196 3.484 4.744 0.044 15 0 "[ . 1 . 2]" 1
204 1 19 ASP QB 1 20 ASN HD21 4.500 . 4.500 3.894 3.596 4.343 . 0 0 "[ . 1 . 2]" 1
205 1 19 ASP QB 1 20 ASN QD 4.360 . 4.360 3.559 3.244 3.957 . 0 0 "[ . 1 . 2]" 1
206 1 20 ASN H 1 20 ASN HB2 3.900 . 3.900 2.532 2.405 2.766 . 0 0 "[ . 1 . 2]" 1
207 1 20 ASN H 1 20 ASN HB3 4.130 . 4.130 3.693 3.599 3.853 . 0 0 "[ . 1 . 2]" 1
208 1 20 ASN H 1 20 ASN HD21 5.420 . 5.420 4.196 3.782 4.605 . 0 0 "[ . 1 . 2]" 1
209 1 20 ASN H 1 21 PHE HB2 5.130 . 5.130 4.347 4.014 4.711 . 0 0 "[ . 1 . 2]" 1
210 1 20 ASN HA 1 20 ASN HD22 5.500 . 5.500 4.353 4.171 4.437 . 0 0 "[ . 1 . 2]" 1
211 1 20 ASN HA 1 21 PHE H 3.630 . 3.630 3.406 3.325 3.509 . 0 0 "[ . 1 . 2]" 1
212 1 20 ASN HA 1 34 TYR QD 3.820 . 3.820 3.586 2.354 4.160 0.340 12 0 "[ . 1 . 2]" 1
213 1 20 ASN HA 1 34 TYR QE 4.210 . 4.210 3.419 2.469 3.777 . 0 0 "[ . 1 . 2]" 1
214 1 20 ASN HB2 1 20 ASN HD22 4.110 . 4.110 2.216 2.193 2.237 . 0 0 "[ . 1 . 2]" 1
215 1 20 ASN HB2 1 21 PHE H 4.380 . 4.380 3.191 2.818 3.406 . 0 0 "[ . 1 . 2]" 1
216 1 20 ASN HB2 1 21 PHE QD 3.580 . 3.580 2.196 2.150 2.253 . 0 0 "[ . 1 . 2]" 1
217 1 20 ASN HB2 1 21 PHE QE 4.010 . 4.010 2.595 2.355 2.913 . 0 0 "[ . 1 . 2]" 1
218 1 20 ASN HB3 1 21 PHE H 4.870 . 4.870 4.076 3.822 4.232 . 0 0 "[ . 1 . 2]" 1
219 1 20 ASN HB3 1 21 PHE QD 3.260 . 3.260 3.402 3.291 3.483 0.223 12 0 "[ . 1 . 2]" 1
220 1 20 ASN HB3 1 21 PHE QE 3.390 . 3.390 3.224 3.028 3.486 0.096 14 0 "[ . 1 . 2]" 1
221 1 20 ASN HD22 1 21 PHE QD 5.190 . 5.190 3.942 3.823 4.052 . 0 0 "[ . 1 . 2]" 1
222 1 20 ASN HD22 1 21 PHE QE 5.250 . 5.250 3.635 3.339 3.853 . 0 0 "[ . 1 . 2]" 1
223 1 21 PHE H 1 21 PHE HB2 3.800 . 3.800 2.632 2.517 2.731 . 0 0 "[ . 1 . 2]" 1
224 1 21 PHE H 1 21 PHE HB3 3.970 . 3.970 3.772 3.702 3.833 . 0 0 "[ . 1 . 2]" 1
225 1 21 PHE H 1 21 PHE QD 4.010 . 4.010 2.467 2.284 2.641 . 0 0 "[ . 1 . 2]" 1
226 1 21 PHE H 1 21 PHE QE 4.780 . 4.780 4.675 4.480 4.817 0.037 18 0 "[ . 1 . 2]" 1
227 1 21 PHE H 1 22 TYR H 5.500 . 5.500 4.467 4.438 4.512 . 0 0 "[ . 1 . 2]" 1
228 1 21 PHE H 1 34 TYR QD 5.080 . 5.080 4.220 3.897 4.598 . 0 0 "[ . 1 . 2]" 1
229 1 21 PHE H 1 34 TYR QE 4.580 . 4.580 3.121 2.535 3.661 . 0 0 "[ . 1 . 2]" 1
230 1 21 PHE HA 1 21 PHE QD 3.980 . 3.980 3.083 3.030 3.124 . 0 0 "[ . 1 . 2]" 1
231 1 21 PHE HA 1 21 PHE QE 5.500 . 5.500 4.646 4.596 4.715 . 0 0 "[ . 1 . 2]" 1
232 1 21 PHE HA 1 22 TYR H 3.560 . 3.560 2.310 2.208 2.393 . 0 0 "[ . 1 . 2]" 1
233 1 21 PHE HA 1 22 TYR QD 4.670 . 4.670 3.544 3.202 3.707 . 0 0 "[ . 1 . 2]" 1
234 1 21 PHE HA 1 22 TYR QE 5.200 . 5.200 5.067 4.487 5.231 0.031 9 0 "[ . 1 . 2]" 1
235 1 21 PHE HA 1 32 LYS H 5.410 . 5.410 3.852 3.569 4.241 . 0 0 "[ . 1 . 2]" 1
236 1 21 PHE HA 1 33 LYS H 5.500 . 5.500 4.381 4.157 4.993 . 0 0 "[ . 1 . 2]" 1
237 1 21 PHE HA 1 33 LYS HA . . 4.090 2.402 2.281 2.914 . 0 0 "[ . 1 . 2]" 1
238 1 21 PHE HA 1 34 TYR H 4.010 . 4.010 3.236 2.985 3.643 . 0 0 "[ . 1 . 2]" 1
239 1 21 PHE HA 1 34 TYR QD 4.650 . 4.650 2.874 2.450 3.668 . 0 0 "[ . 1 . 2]" 1
240 1 21 PHE HA 1 34 TYR QE 5.490 . 5.490 3.393 2.857 3.686 . 0 0 "[ . 1 . 2]" 1
241 1 21 PHE HB2 1 21 PHE QD 3.330 . 3.330 2.528 2.464 2.585 . 0 0 "[ . 1 . 2]" 1
242 1 21 PHE HB2 1 22 TYR H 4.270 . 4.270 3.804 3.618 3.984 . 0 0 "[ . 1 . 2]" 1
243 1 21 PHE HB2 1 34 TYR QE 5.500 . 5.500 5.007 4.631 5.452 . 0 0 "[ . 1 . 2]" 1
244 1 21 PHE QD 1 22 TYR H 4.680 . 4.680 3.938 3.774 4.107 . 0 0 "[ . 1 . 2]" 1
245 1 21 PHE QD 1 32 LYS H 5.160 . 5.160 3.247 2.963 3.411 . 0 0 "[ . 1 . 2]" 1
246 1 21 PHE QD 1 32 LYS HA 4.040 . 4.040 2.914 2.620 3.253 . 0 0 "[ . 1 . 2]" 1
247 1 21 PHE QD 1 32 LYS QD 4.400 . 4.400 4.440 4.203 4.688 0.288 2 0 "[ . 1 . 2]" 1
248 1 21 PHE QD 1 33 LYS H 4.400 . 4.400 3.011 2.444 4.006 . 0 0 "[ . 1 . 2]" 1
249 1 21 PHE QD 1 33 LYS HA 3.880 . 3.880 3.261 2.909 3.643 . 0 0 "[ . 1 . 2]" 1
250 1 21 PHE QD 1 33 LYS QE 3.910 . 3.910 4.110 3.976 4.291 0.381 4 0 "[ . 1 . 2]" 1
251 1 21 PHE QD 1 33 LYS HG3 4.380 . 4.380 3.989 3.226 4.547 0.167 4 0 "[ . 1 . 2]" 1
252 1 21 PHE QD 1 34 TYR QD 4.830 . 4.830 4.954 4.785 5.138 0.308 7 0 "[ . 1 . 2]" 1
253 1 21 PHE QE 1 32 LYS H 5.500 . 5.500 5.468 5.172 5.641 0.141 4 0 "[ . 1 . 2]" 1
254 1 21 PHE QE 1 32 LYS HA 4.750 . 4.750 4.043 3.485 4.358 . 0 0 "[ . 1 . 2]" 1
255 1 21 PHE QE 1 33 LYS H 4.580 . 4.580 3.298 2.745 4.496 . 0 0 "[ . 1 . 2]" 1
256 1 21 PHE QE 1 33 LYS HA 4.240 . 4.240 3.909 3.660 4.290 0.050 16 0 "[ . 1 . 2]" 1
257 1 21 PHE QE 1 33 LYS QE 4.160 . 4.160 2.603 2.198 2.858 . 0 0 "[ . 1 . 2]" 1
258 1 21 PHE QE 1 33 LYS HG3 4.380 . 4.380 3.530 2.301 4.456 0.076 4 0 "[ . 1 . 2]" 1
259 1 22 TYR H 1 22 TYR HB3 3.790 . 3.790 3.043 2.853 3.205 . 0 0 "[ . 1 . 2]" 1
260 1 22 TYR H 1 22 TYR QD 3.830 . 3.830 2.702 2.430 2.937 . 0 0 "[ . 1 . 2]" 1
261 1 22 TYR H 1 22 TYR QE 4.240 . 4.240 4.181 4.029 4.284 0.044 13 0 "[ . 1 . 2]" 1
262 1 22 TYR H 1 23 CYS H 5.500 . 5.500 4.451 4.407 4.498 . 0 0 "[ . 1 . 2]" 1
263 1 22 TYR H 1 31 CYS HA 4.520 . 4.520 3.841 3.468 4.072 . 0 0 "[ . 1 . 2]" 1
264 1 22 TYR H 1 32 LYS H 4.310 . 4.310 2.424 2.222 2.695 . 0 0 "[ . 1 . 2]" 1
265 1 22 TYR H 1 33 LYS HA 4.600 . 4.600 4.095 3.837 4.472 . 0 0 "[ . 1 . 2]" 1
266 1 22 TYR H 1 34 TYR H 5.500 . 5.500 4.680 3.458 5.174 . 0 0 "[ . 1 . 2]" 1
267 1 22 TYR H 1 34 TYR QD 5.330 . 5.330 3.955 3.097 5.035 . 0 0 "[ . 1 . 2]" 1
268 1 22 TYR HA 1 22 TYR QD 4.480 . 4.480 3.679 3.661 3.705 . 0 0 "[ . 1 . 2]" 1
269 1 22 TYR HB2 1 22 TYR QD 3.480 . 3.480 2.464 2.414 2.521 . 0 0 "[ . 1 . 2]" 1
270 1 22 TYR HB2 1 23 CYS H 3.750 . 3.750 2.502 2.106 2.613 . 0 0 "[ . 1 . 2]" 1
271 1 22 TYR HB2 1 34 TYR QE 3.930 . 3.930 4.084 3.649 4.324 0.394 15 0 "[ . 1 . 2]" 1
272 1 22 TYR HB3 1 23 CYS H 3.910 . 3.910 3.868 3.585 3.945 0.035 1 0 "[ . 1 . 2]" 1
273 1 22 TYR HB3 1 34 TYR QE 3.720 . 3.720 2.910 2.666 3.149 . 0 0 "[ . 1 . 2]" 1
274 1 22 TYR QD 1 23 CYS H 4.650 . 4.650 2.917 2.816 2.993 . 0 0 "[ . 1 . 2]" 1
275 1 22 TYR QD 1 23 CYS HA 5.500 . 5.500 3.567 3.415 3.713 . 0 0 "[ . 1 . 2]" 1
276 1 22 TYR QD 1 24 PRO HA 3.510 . 3.510 2.990 2.882 3.067 . 0 0 "[ . 1 . 2]" 1
277 1 22 TYR QD 1 24 PRO QB 4.300 . 4.300 4.390 4.189 4.477 0.177 15 0 "[ . 1 . 2]" 1
278 1 22 TYR QD 1 24 PRO HD2 5.500 . 5.500 4.304 4.125 4.477 . 0 0 "[ . 1 . 2]" 1
279 1 22 TYR QD 1 24 PRO HD3 5.500 . 5.500 2.999 2.803 3.198 . 0 0 "[ . 1 . 2]" 1
280 1 22 TYR QD 1 24 PRO HG2 4.540 . 4.540 4.997 4.811 5.124 0.584 15 6 "[* .* * 1-* + 2]" 1
281 1 22 TYR QD 1 24 PRO HG3 5.160 . 5.160 3.740 3.460 3.875 . 0 0 "[ . 1 . 2]" 1
282 1 22 TYR QD 1 25 MET H 5.250 . 5.250 5.075 4.877 5.451 0.201 17 0 "[ . 1 . 2]" 1
283 1 22 TYR QD 1 32 LYS H 5.500 . 5.500 4.115 3.973 4.244 . 0 0 "[ . 1 . 2]" 1
284 1 22 TYR QD 1 32 LYS HB2 4.600 . 4.600 4.550 3.419 4.994 0.394 6 0 "[ . 1 . 2]" 1
285 1 22 TYR QD 1 32 LYS HB3 4.540 . 4.540 3.755 3.443 4.587 0.047 5 0 "[ . 1 . 2]" 1
286 1 22 TYR QD 1 32 LYS HG2 4.700 . 4.700 4.875 4.729 5.011 0.311 17 0 "[ . 1 . 2]" 1
287 1 22 TYR QD 1 32 LYS HG3 4.960 . 4.960 4.446 3.890 5.153 0.193 13 0 "[ . 1 . 2]" 1
288 1 22 TYR QD 1 33 LYS HA 5.440 . 5.440 4.311 3.918 4.656 . 0 0 "[ . 1 . 2]" 1
289 1 22 TYR QD 1 34 TYR H 5.030 . 5.030 3.714 2.034 4.141 . 0 0 "[ . 1 . 2]" 1
290 1 22 TYR QD 1 34 TYR HB2 4.400 . 4.400 3.922 3.568 4.727 0.327 18 0 "[ . 1 . 2]" 1
291 1 22 TYR QD 1 34 TYR QD 4.060 . 4.060 2.780 2.293 3.222 . 0 0 "[ . 1 . 2]" 1
292 1 22 TYR QD 1 35 LYS H 5.460 . 5.460 5.497 5.080 5.827 0.367 1 0 "[ . 1 . 2]" 1
293 1 22 TYR QE 1 23 CYS H 4.960 . 4.960 5.133 5.083 5.221 0.261 19 0 "[ . 1 . 2]" 1
294 1 22 TYR QE 1 23 CYS HA 5.500 . 5.500 4.845 4.718 5.153 . 0 0 "[ . 1 . 2]" 1
295 1 22 TYR QE 1 24 PRO HA 3.330 . 3.330 2.382 2.286 2.611 . 0 0 "[ . 1 . 2]" 1
296 1 22 TYR QE 1 24 PRO QB 3.940 . 3.940 3.030 2.832 3.274 . 0 0 "[ . 1 . 2]" 1
297 1 22 TYR QE 1 24 PRO HD2 5.380 . 5.380 4.402 4.225 4.626 . 0 0 "[ . 1 . 2]" 1
298 1 22 TYR QE 1 24 PRO HD3 5.500 . 5.500 3.196 2.944 3.461 . 0 0 "[ . 1 . 2]" 1
299 1 22 TYR QE 1 24 PRO HG2 4.170 . 4.170 3.923 3.863 4.029 . 0 0 "[ . 1 . 2]" 1
300 1 22 TYR QE 1 24 PRO HG3 4.720 . 4.720 2.256 2.219 2.310 . 0 0 "[ . 1 . 2]" 1
301 1 22 TYR QE 1 25 MET H . . 4.480 4.402 4.266 4.558 0.078 17 0 "[ . 1 . 2]" 1
302 1 22 TYR QE 1 32 LYS H 5.180 . 5.180 4.555 4.436 4.737 . 0 0 "[ . 1 . 2]" 1
303 1 22 TYR QE 1 32 LYS HB2 4.350 . 4.350 3.648 2.636 4.012 . 0 0 "[ . 1 . 2]" 1
304 1 22 TYR QE 1 32 LYS HB3 4.220 . 4.220 2.826 2.516 3.178 . 0 0 "[ . 1 . 2]" 1
305 1 22 TYR QE 1 32 LYS HG2 4.080 . 4.080 3.325 2.748 4.269 0.189 13 0 "[ . 1 . 2]" 1
306 1 22 TYR QE 1 32 LYS HG3 4.840 . 4.840 2.943 2.323 3.822 . 0 0 "[ . 1 . 2]" 1
307 1 22 TYR QE 1 33 LYS HA 5.500 . 5.500 4.889 4.094 5.319 . 0 0 "[ . 1 . 2]" 1
308 1 22 TYR QE 1 34 TYR H . . 4.720 4.510 2.532 4.960 0.240 3 0 "[ . 1 . 2]" 1
309 1 22 TYR QE 1 34 TYR HB2 4.600 . 4.600 4.062 3.559 5.021 0.421 19 0 "[ . 1 . 2]" 1
310 1 22 TYR QE 1 34 TYR QD 4.210 . 4.210 4.066 3.603 4.347 0.137 2 0 "[ . 1 . 2]" 1
311 1 23 CYS H 1 23 CYS HB2 3.790 . 3.790 2.471 2.297 2.789 . 0 0 "[ . 1 . 2]" 1
312 1 23 CYS H 1 23 CYS HB3 3.520 . 3.520 3.398 2.624 3.656 0.136 8 0 "[ . 1 . 2]" 1
313 1 23 CYS H 1 24 PRO HD2 5.500 . 5.500 4.987 4.866 5.108 . 0 0 "[ . 1 . 2]" 1
314 1 23 CYS H 1 24 PRO HD3 5.500 . 5.500 4.182 3.955 4.241 . 0 0 "[ . 1 . 2]" 1
315 1 23 CYS HA 1 24 PRO HD2 3.540 . 3.540 2.351 2.260 2.505 . 0 0 "[ . 1 . 2]" 1
316 1 23 CYS HA 1 24 PRO HD3 3.590 . 3.590 2.248 2.192 2.357 . 0 0 "[ . 1 . 2]" 1
317 1 23 CYS HA 1 24 PRO HG2 5.400 . 5.400 4.456 4.403 4.526 . 0 0 "[ . 1 . 2]" 1
318 1 23 CYS HA 1 31 CYS H 5.380 . 5.380 5.033 4.811 5.384 0.004 2 0 "[ . 1 . 2]" 1
319 1 23 CYS HA 1 32 LYS H 4.870 . 4.870 4.261 3.989 4.485 . 0 0 "[ . 1 . 2]" 1
320 1 24 PRO HB2 1 25 MET H 4.260 . 4.260 3.441 2.581 3.731 . 0 0 "[ . 1 . 2]" 1
321 1 24 PRO HB2 1 30 HIS H 3.930 . 3.930 3.226 2.967 3.398 . 0 0 "[ . 1 . 2]" 1
322 1 24 PRO HB3 1 30 HIS H 4.090 . 4.090 4.324 4.173 4.421 0.331 3 0 "[ . 1 . 2]" 1
323 1 24 PRO HD2 1 29 PRO HB3 4.120 . 4.120 2.356 2.297 2.574 . 0 0 "[ . 1 . 2]" 1
324 1 24 PRO HD2 1 30 HIS H 4.930 . 4.930 1.913 1.730 2.460 . 0 0 "[ . 1 . 2]" 1
325 1 24 PRO HD2 1 32 LYS H 4.880 . 4.880 4.778 3.993 4.957 0.077 13 0 "[ . 1 . 2]" 1
326 1 24 PRO HD3 1 29 PRO HB3 3.670 . 3.670 3.800 3.741 3.854 0.184 1 0 "[ . 1 . 2]" 1
327 1 24 PRO HD3 1 30 HIS H 4.460 . 4.460 3.210 3.014 3.594 . 0 0 "[ . 1 . 2]" 1
328 1 24 PRO HD3 1 32 LYS H 5.350 . 5.350 3.493 2.808 3.698 . 0 0 "[ . 1 . 2]" 1
329 1 24 PRO HG2 1 29 PRO HA 4.060 . 4.060 3.085 2.718 3.543 . 0 0 "[ . 1 . 2]" 1
330 1 24 PRO HG2 1 30 HIS H 4.050 . 4.050 1.988 1.827 2.239 . 0 0 "[ . 1 . 2]" 1
331 1 24 PRO HG3 1 25 MET H 4.670 . 4.670 4.819 4.582 4.913 0.243 15 0 "[ . 1 . 2]" 1
332 1 24 PRO HG3 1 29 PRO HA 4.770 . 4.770 4.512 4.147 4.734 . 0 0 "[ . 1 . 2]" 1
333 1 24 PRO HG3 1 30 HIS H 4.330 . 4.330 3.524 3.349 3.743 . 0 0 "[ . 1 . 2]" 1
334 1 25 MET H 1 25 MET HA 3.100 . 3.100 2.917 2.871 2.964 . 0 0 "[ . 1 . 2]" 1
335 1 25 MET H 1 25 MET HB2 3.800 . 3.800 2.800 2.283 3.813 0.013 10 0 "[ . 1 . 2]" 1
336 1 25 MET H 1 25 MET HB3 3.670 . 3.670 3.137 2.573 3.683 0.013 12 0 "[ . 1 . 2]" 1
337 1 25 MET H 1 25 MET HG2 4.950 . 4.950 3.439 1.771 4.708 . 0 0 "[ . 1 . 2]" 1
338 1 25 MET H 1 25 MET HG3 5.150 . 5.150 3.536 2.322 4.707 . 0 0 "[ . 1 . 2]" 1
339 1 25 MET H 1 26 GLU H . . 4.200 3.623 2.507 4.108 . 0 0 "[ . 1 . 2]" 1
340 1 26 GLU H 1 26 GLU HA 3.080 . 3.080 2.918 2.810 2.962 . 0 0 "[ . 1 . 2]" 1
341 1 26 GLU H 1 27 PHE H 4.140 . 4.140 4.156 2.525 4.566 0.426 7 0 "[ . 1 . 2]" 1
342 1 26 GLU H 1 29 PRO HA 4.470 . 4.470 3.841 3.300 4.231 . 0 0 "[ . 1 . 2]" 1
343 1 26 GLU H 1 29 PRO QD 5.190 . 5.190 3.657 2.968 4.894 . 0 0 "[ . 1 . 2]" 1
344 1 26 GLU HA 1 27 PHE H 3.340 . 3.340 2.561 2.266 2.812 . 0 0 "[ . 1 . 2]" 1
345 1 27 PHE H 1 27 PHE HB2 3.530 . 3.530 2.806 2.459 3.591 0.061 7 0 "[ . 1 . 2]" 1
346 1 27 PHE H 1 27 PHE HB3 3.610 . 3.610 2.823 2.517 3.800 0.190 18 0 "[ . 1 . 2]" 1
347 1 27 PHE H 1 27 PHE QD 4.590 . 4.590 3.723 1.786 4.191 . 0 0 "[ . 1 . 2]" 1
348 1 27 PHE H 1 28 ILE H 4.070 . 4.070 2.818 2.543 3.814 . 0 0 "[ . 1 . 2]" 1
349 1 27 PHE HA 1 27 PHE QD 3.730 . 3.730 2.709 2.425 3.682 . 0 0 "[ . 1 . 2]" 1
350 1 27 PHE HA 1 28 ILE H 3.750 . 3.750 3.517 3.365 3.570 . 0 0 "[ . 1 . 2]" 1
351 1 27 PHE QD 1 28 ILE QG 3.960 . 3.960 2.478 2.275 3.534 . 0 0 "[ . 1 . 2]" 1
352 1 27 PHE QD 1 28 ILE MG 4.010 . 4.010 2.180 2.075 2.370 . 0 0 "[ . 1 . 2]" 1
353 1 27 PHE QE 1 28 ILE MG 4.410 . 4.410 3.056 2.298 4.036 . 0 0 "[ . 1 . 2]" 1
354 1 28 ILE H 1 28 ILE HB 3.650 . 3.650 3.713 3.601 3.808 0.158 15 0 "[ . 1 . 2]" 1
355 1 28 ILE H 1 28 ILE MD 4.600 . 4.600 3.704 1.761 3.951 . 0 0 "[ . 1 . 2]" 1
356 1 28 ILE H 1 28 ILE QG 4.100 . 4.100 2.093 1.984 2.242 . 0 0 "[ . 1 . 2]" 1
357 1 28 ILE H 1 28 ILE MG 3.920 . 3.920 3.191 3.118 3.413 . 0 0 "[ . 1 . 2]" 1
358 1 28 ILE H 1 29 PRO QD 3.930 . 3.930 3.065 2.663 3.387 . 0 0 "[ . 1 . 2]" 1
359 1 28 ILE HA 1 29 PRO QD 3.100 . 3.100 2.186 2.109 2.266 . 0 0 "[ . 1 . 2]" 1
360 1 28 ILE HA 1 29 PRO HG2 5.450 . 5.450 4.622 4.526 4.722 . 0 0 "[ . 1 . 2]" 1
361 1 28 ILE HA 1 29 PRO HG3 5.300 . 5.300 4.592 4.515 4.669 . 0 0 "[ . 1 . 2]" 1
362 1 28 ILE HB 1 30 HIS HE1 4.300 . 4.300 2.889 2.337 3.581 . 0 0 "[ . 1 . 2]" 1
363 1 28 ILE MD 1 30 HIS HD2 5.500 . 5.500 5.286 4.815 5.620 0.120 15 0 "[ . 1 . 2]" 1
364 1 28 ILE MD 1 30 HIS HE1 3.730 . 3.730 2.255 2.181 2.353 . 0 0 "[ . 1 . 2]" 1
365 1 28 ILE MG 1 30 HIS HE1 4.710 . 4.710 4.240 3.811 4.733 0.023 8 0 "[ . 1 . 2]" 1
366 1 29 PRO HA 1 29 PRO HG3 3.650 . 3.650 3.028 2.986 3.079 . 0 0 "[ . 1 . 2]" 1
367 1 29 PRO HA 1 30 HIS H 3.400 . 3.400 2.234 2.198 2.281 . 0 0 "[ . 1 . 2]" 1
368 1 29 PRO HB2 1 29 PRO HD3 4.040 . 4.040 3.872 3.838 3.891 . 0 0 "[ . 1 . 2]" 1
369 1 29 PRO QD 1 30 HIS H 4.980 . 4.980 5.002 4.983 5.020 0.040 11 0 "[ . 1 . 2]" 1
370 1 30 HIS H 1 30 HIS HB2 4.090 . 4.090 2.700 2.612 2.798 . 0 0 "[ . 1 . 2]" 1
371 1 30 HIS H 1 31 CYS H 5.340 . 5.340 4.391 4.321 4.486 . 0 0 "[ . 1 . 2]" 1
372 1 30 HIS HA 1 30 HIS HD2 5.010 . 5.010 3.060 2.688 3.266 . 0 0 "[ . 1 . 2]" 1
373 1 30 HIS HA 1 31 CYS H 3.390 . 3.390 2.200 2.157 2.282 . 0 0 "[ . 1 . 2]" 1
374 1 30 HIS HB2 1 31 CYS H 4.300 . 4.300 4.063 3.841 4.201 . 0 0 "[ . 1 . 2]" 1
375 1 30 HIS HB3 1 31 CYS H 3.940 . 3.940 3.029 2.702 3.271 . 0 0 "[ . 1 . 2]" 1
376 1 30 HIS HD2 1 31 CYS H 5.500 . 5.500 4.354 3.969 4.563 . 0 0 "[ . 1 . 2]" 1
377 1 31 CYS H 1 32 LYS H 4.920 . 4.920 4.459 4.230 4.555 . 0 0 "[ . 1 . 2]" 1
378 1 31 CYS HA 1 32 LYS H 3.240 . 3.240 2.154 2.137 2.205 . 0 0 "[ . 1 . 2]" 1
379 1 31 CYS HB2 1 32 LYS H 4.410 . 4.410 4.422 4.294 4.609 0.199 5 0 "[ . 1 . 2]" 1
380 1 31 CYS HB3 1 32 LYS H 4.170 . 4.170 3.590 3.350 3.985 . 0 0 "[ . 1 . 2]" 1
381 1 32 LYS H 1 32 LYS HB2 4.390 . 4.390 3.011 2.562 3.263 . 0 0 "[ . 1 . 2]" 1
382 1 32 LYS H 1 32 LYS HB3 4.070 . 4.070 2.961 2.563 3.799 . 0 0 "[ . 1 . 2]" 1
383 1 32 LYS H 1 32 LYS HG2 5.500 . 5.500 4.397 2.604 4.963 . 0 0 "[ . 1 . 2]" 1
384 1 32 LYS H 1 32 LYS HG3 5.500 . 5.500 4.360 3.965 4.496 . 0 0 "[ . 1 . 2]" 1
385 1 32 LYS H 1 33 LYS H 5.020 . 5.020 4.340 4.238 4.506 . 0 0 "[ . 1 . 2]" 1
386 1 32 LYS HA 1 33 LYS H 3.200 . 3.200 2.171 2.132 2.355 . 0 0 "[ . 1 . 2]" 1
387 1 33 LYS H 1 33 LYS HB2 3.770 . 3.770 2.465 2.085 3.498 . 0 0 "[ . 1 . 2]" 1
388 1 33 LYS H 1 33 LYS HB3 3.550 . 3.550 2.849 2.502 3.605 0.055 2 0 "[ . 1 . 2]" 1
389 1 33 LYS H 1 33 LYS HG2 4.850 . 4.850 4.229 1.735 4.604 . 0 0 "[ . 1 . 2]" 1
390 1 33 LYS H 1 33 LYS HG3 4.620 . 4.620 3.909 2.201 4.453 . 0 0 "[ . 1 . 2]" 1
391 1 33 LYS H 1 34 TYR H 4.840 . 4.840 4.529 3.609 4.612 . 0 0 "[ . 1 . 2]" 1
392 1 33 LYS HA 1 34 TYR H 3.350 . 3.350 2.188 2.128 2.577 . 0 0 "[ . 1 . 2]" 1
393 1 33 LYS HA 1 34 TYR QE 4.820 . 4.820 4.884 4.662 5.014 0.194 5 0 "[ . 1 . 2]" 1
394 1 34 TYR H 1 34 TYR HB2 3.820 . 3.820 3.520 2.363 3.978 0.158 13 0 "[ . 1 . 2]" 1
395 1 34 TYR H 1 34 TYR HB3 3.700 . 3.700 3.319 3.079 3.917 0.217 2 0 "[ . 1 . 2]" 1
396 1 34 TYR H 1 34 TYR QD . . 3.820 1.961 1.611 2.617 . 0 0 "[ . 1 . 2]" 1
397 1 34 TYR H 1 34 TYR QE 4.800 . 4.800 4.013 3.820 4.192 . 0 0 "[ . 1 . 2]" 1
398 1 34 TYR H 1 36 PRO QD 4.230 . 4.230 4.153 3.313 4.624 0.394 1 0 "[ . 1 . 2]" 1
399 1 34 TYR HA 1 34 TYR QD 3.830 . 3.830 3.387 2.684 3.674 . 0 0 "[ . 1 . 2]" 1
400 1 34 TYR HA 1 35 LYS H 3.380 . 3.380 2.720 2.176 3.522 0.142 19 0 "[ . 1 . 2]" 1
401 1 34 TYR HB2 1 34 TYR QD 3.420 . 3.420 2.342 2.292 2.549 . 0 0 "[ . 1 . 2]" 1
402 1 34 TYR HB2 1 34 TYR QE 4.310 . 4.310 4.416 4.389 4.464 0.154 7 0 "[ . 1 . 2]" 1
403 1 34 TYR HB2 1 35 LYS H 4.240 . 4.240 2.514 1.736 4.358 0.118 9 0 "[ . 1 . 2]" 1
404 1 34 TYR HB2 1 35 LYS HD3 4.240 . 4.240 3.596 2.577 4.473 0.233 20 0 "[ . 1 . 2]" 1
405 1 34 TYR HB3 1 34 TYR QD 3.490 . 3.490 2.628 2.370 2.796 . 0 0 "[ . 1 . 2]" 1
406 1 34 TYR HB3 1 35 LYS H 3.970 . 3.970 3.322 1.648 4.123 0.153 9 0 "[ . 1 . 2]" 1
407 1 34 TYR HB3 1 35 LYS HD3 4.350 . 4.350 4.117 2.496 4.802 0.452 3 0 "[ . 1 . 2]" 1
408 1 34 TYR QD 1 35 LYS H 4.570 . 4.570 3.336 2.366 4.087 . 0 0 "[ . 1 . 2]" 1
409 1 35 LYS H 1 35 LYS HB2 4.040 . 4.040 3.215 2.409 3.883 . 0 0 "[ . 1 . 2]" 1
410 1 35 LYS H 1 35 LYS HB3 3.640 . 3.640 3.489 2.808 3.947 0.307 4 0 "[ . 1 . 2]" 1
411 1 35 LYS H 1 35 LYS HG2 4.580 . 4.580 3.186 1.938 4.778 0.198 9 0 "[ . 1 . 2]" 1
412 1 35 LYS H 1 35 LYS HG3 4.690 . 4.690 3.511 2.029 4.640 . 0 0 "[ . 1 . 2]" 1
413 1 35 LYS H 1 36 PRO QD 4.640 . 4.640 3.301 2.325 4.208 . 0 0 "[ . 1 . 2]" 1
414 1 35 LYS HA 1 36 PRO HD3 3.200 . 3.200 2.674 2.299 3.181 . 0 0 "[ . 1 . 2]" 1
415 1 36 PRO HA 1 37 TYR H 3.350 . 3.350 2.436 2.202 3.544 0.194 5 0 "[ . 1 . 2]" 1
416 1 36 PRO HA 1 37 TYR QD 5.020 . 5.020 3.303 2.919 4.040 . 0 0 "[ . 1 . 2]" 1
417 1 36 PRO HA 1 37 TYR QE 4.220 . 4.220 4.246 3.877 4.414 0.194 16 0 "[ . 1 . 2]" 1
418 1 36 PRO QD 1 37 TYR H 5.500 . 5.500 4.691 2.731 5.033 . 0 0 "[ . 1 . 2]" 1
419 1 36 PRO QD 1 37 TYR QD 5.500 . 5.500 5.426 4.961 5.706 0.206 9 0 "[ . 1 . 2]" 1
420 1 37 TYR H 1 37 TYR HB2 3.810 . 3.810 3.140 2.421 3.931 0.121 11 0 "[ . 1 . 2]" 1
421 1 37 TYR H 1 37 TYR HB3 4.110 . 4.110 3.679 3.326 4.032 . 0 0 "[ . 1 . 2]" 1
422 1 37 TYR H 1 37 TYR QD . . 4.960 2.681 2.226 3.462 . 0 0 "[ . 1 . 2]" 1
423 1 37 TYR H 1 38 VAL H 4.900 . 4.900 3.475 1.656 4.526 . 0 0 "[ . 1 . 2]" 1
424 1 37 TYR HA 1 37 TYR QD 4.080 . 4.080 3.083 2.327 3.702 . 0 0 "[ . 1 . 2]" 1
425 1 37 TYR HA 1 38 VAL H 3.220 . 3.220 2.714 2.218 3.347 0.127 1 0 "[ . 1 . 2]" 1
426 1 37 TYR HB2 1 38 VAL H 4.790 . 4.790 3.491 1.888 4.358 . 0 0 "[ . 1 . 2]" 1
427 1 37 TYR HB3 1 37 TYR QD 3.490 . 3.490 2.431 2.308 2.778 . 0 0 "[ . 1 . 2]" 1
428 1 37 TYR HB3 1 38 VAL H 4.700 . 4.700 3.567 1.987 4.555 . 0 0 "[ . 1 . 2]" 1
429 1 37 TYR QD 1 38 VAL H 4.850 . 4.850 3.992 3.416 4.708 . 0 0 "[ . 1 . 2]" 1
430 1 38 VAL H 1 38 VAL HB 4.110 . 4.110 3.385 2.540 3.814 . 0 0 "[ . 1 . 2]" 1
431 1 39 PRO HA 1 40 VAL H 3.300 . 3.300 2.536 2.213 3.520 0.220 19 0 "[ . 1 . 2]" 1
432 1 40 VAL H 1 40 VAL HB 4.040 . 4.040 3.020 2.401 3.832 . 0 0 "[ . 1 . 2]" 1
433 1 40 VAL H 1 40 VAL MG2 4.600 . 4.600 2.808 1.905 3.952 . 0 0 "[ . 1 . 2]" 1
434 1 40 VAL HA 1 41 THR H 3.570 . 3.570 2.549 2.144 3.554 . 0 0 "[ . 1 . 2]" 1
435 1 41 THR HA 1 42 THR H 4.270 . 4.270 2.640 2.150 3.516 . 0 0 "[ . 1 . 2]" 1
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