NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
371127 |
1ce3   |
4487 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ce3
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 508
_Distance_constraint_stats_list.Viol_count 1341
_Distance_constraint_stats_list.Viol_total 1413.849
_Distance_constraint_stats_list.Viol_max 0.297
_Distance_constraint_stats_list.Viol_rms 0.0246
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0070
_Distance_constraint_stats_list.Viol_average_violations_only 0.0527
_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 MET 0.056 0.043 2 0 "[ . 1 . 2]"
1 2 LYS 0.122 0.050 14 0 "[ . 1 . 2]"
1 3 ALA 1.669 0.159 19 0 "[ . 1 . 2]"
1 4 CYS 1.246 0.112 14 0 "[ . 1 . 2]"
1 5 THR 1.542 0.297 2 0 "[ . 1 . 2]"
1 6 LEU 1.225 0.174 2 0 "[ . 1 . 2]"
1 7 ASN 4.111 0.297 2 0 "[ . 1 . 2]"
1 8 CYS 1.671 0.169 9 0 "[ . 1 . 2]"
1 9 ASP 3.148 0.169 9 0 "[ . 1 . 2]"
1 10 PRO 0.856 0.079 12 0 "[ . 1 . 2]"
1 11 ARG 2.392 0.145 6 0 "[ . 1 . 2]"
1 12 ILE 1.316 0.087 19 0 "[ . 1 . 2]"
1 13 ALA 0.722 0.047 2 0 "[ . 1 . 2]"
1 14 TYR 3.866 0.134 12 0 "[ . 1 . 2]"
1 15 GLY 0.596 0.058 15 0 "[ . 1 . 2]"
1 16 VAL 2.014 0.071 2 0 "[ . 1 . 2]"
1 17 CYS 0.222 0.041 14 0 "[ . 1 . 2]"
1 18 PRO 0.035 0.018 1 0 "[ . 1 . 2]"
1 19 ARG 0.512 0.060 7 0 "[ . 1 . 2]"
1 20 SER 1.108 0.131 17 0 "[ . 1 . 2]"
1 21 GLU 2.484 0.180 18 0 "[ . 1 . 2]"
1 22 GLU 0.415 0.117 8 0 "[ . 1 . 2]"
1 23 LYS 1.443 0.196 11 0 "[ . 1 . 2]"
1 24 LYS 0.535 0.080 9 0 "[ . 1 . 2]"
1 25 ASN 1.689 0.119 19 0 "[ . 1 . 2]"
1 26 ASP 0.647 0.094 2 0 "[ . 1 . 2]"
1 27 ARG 1.467 0.168 17 0 "[ . 1 . 2]"
1 28 ILE 9.873 0.226 19 0 "[ . 1 . 2]"
1 29 CYS 4.626 0.226 19 0 "[ . 1 . 2]"
1 30 THR 1.032 0.139 20 0 "[ . 1 . 2]"
1 31 ASN 1.929 0.119 16 0 "[ . 1 . 2]"
1 32 CYS 0.149 0.060 7 0 "[ . 1 . 2]"
1 33 CYS 0.165 0.039 2 0 "[ . 1 . 2]"
1 34 ALA 0.254 0.076 12 0 "[ . 1 . 2]"
1 35 GLY 2.445 0.155 18 0 "[ . 1 . 2]"
1 36 THR 4.531 0.277 15 0 "[ . 1 . 2]"
1 37 LYS 1.210 0.076 16 0 "[ . 1 . 2]"
1 38 GLY 0.389 0.043 8 0 "[ . 1 . 2]"
1 39 CYS 1.982 0.092 11 0 "[ . 1 . 2]"
1 40 LYS 1.836 0.089 7 0 "[ . 1 . 2]"
1 41 TYR 5.405 0.138 3 0 "[ . 1 . 2]"
1 42 PHE 5.205 0.161 5 0 "[ . 1 . 2]"
1 43 SER 7.600 0.226 10 0 "[ . 1 . 2]"
1 44 ASP 1.824 0.199 3 0 "[ . 1 . 2]"
1 45 ASP 0.134 0.094 3 0 "[ . 1 . 2]"
1 46 GLY 0.477 0.044 10 0 "[ . 1 . 2]"
1 47 THR 5.285 0.212 13 0 "[ . 1 . 2]"
1 48 PHE 0.462 0.060 2 0 "[ . 1 . 2]"
1 49 VAL 2.398 0.152 2 0 "[ . 1 . 2]"
1 50 CYS 3.577 0.138 3 0 "[ . 1 . 2]"
1 51 GLU 0.955 0.147 12 0 "[ . 1 . 2]"
1 52 GLY 0.851 0.076 5 0 "[ . 1 . 2]"
1 53 GLU 0.778 0.128 14 0 "[ . 1 . 2]"
1 54 SER 3.042 0.277 15 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 MET HA 1 1 MET HB2 2.425 . 3.050 2.713 2.468 2.934 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 1 MET HB3 2.425 . 3.050 2.727 2.442 2.951 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET HA 1 2 LYS H 2.410 . 3.020 2.470 2.108 3.063 0.043 2 0 "[ . 1 . 2]" 1
4 1 2 LYS H 1 2 LYS QD 4.090 . 6.380 4.181 1.932 5.485 . 0 0 "[ . 1 . 2]" 1
5 1 2 LYS H 1 2 LYS QE 4.090 . 6.380 4.694 2.788 5.816 . 0 0 "[ . 1 . 2]" 1
6 1 2 LYS H 1 2 LYS QG 4.090 . 6.380 3.380 2.077 4.570 . 0 0 "[ . 1 . 2]" 1
7 1 2 LYS HA 1 2 LYS QD 4.090 . 6.380 3.412 2.010 4.288 . 0 0 "[ . 1 . 2]" 1
8 1 2 LYS HA 1 3 ALA H 2.115 . 2.430 2.221 2.075 2.480 0.050 14 0 "[ . 1 . 2]" 1
9 1 3 ALA H 1 3 ALA HA 2.210 . 2.620 2.570 2.298 2.779 0.159 19 0 "[ . 1 . 2]" 1
10 1 3 ALA HA 1 4 CYS H 2.100 . 2.400 2.241 2.055 2.462 0.062 18 0 "[ . 1 . 2]" 1
11 1 4 CYS H 1 4 CYS HB2 2.650 . 3.500 2.342 2.089 2.647 . 0 0 "[ . 1 . 2]" 1
12 1 4 CYS H 1 4 CYS QB 2.650 . 3.500 2.307 2.072 2.579 . 0 0 "[ . 1 . 2]" 1
13 1 4 CYS H 1 4 CYS HB3 2.650 . 3.500 3.524 3.435 3.566 0.066 15 0 "[ . 1 . 2]" 1
14 1 4 CYS HA 1 5 THR H 2.250 . 2.700 2.551 2.291 2.733 0.033 8 0 "[ . 1 . 2]" 1
15 1 4 CYS QB 1 31 ASN QD 4.350 . 6.900 2.642 1.688 4.205 0.112 14 0 "[ . 1 . 2]" 1
16 1 4 CYS QB 1 34 ALA MB 3.585 . 5.370 2.706 2.167 3.426 . 0 0 "[ . 1 . 2]" 1
17 1 4 CYS QB 1 35 GLY H 3.745 . 5.690 4.897 4.634 5.143 . 0 0 "[ . 1 . 2]" 1
18 1 4 CYS HB2 1 5 THR H 2.650 . 3.500 3.350 2.743 3.538 0.038 5 0 "[ . 1 . 2]" 1
19 1 4 CYS HB2 1 34 ALA MB 3.650 . 5.500 2.900 2.203 3.727 . 0 0 "[ . 1 . 2]" 1
20 1 4 CYS HB3 1 5 THR H 2.650 . 3.500 2.099 1.800 2.528 . 0 0 "[ . 1 . 2]" 1
21 1 4 CYS HB3 1 34 ALA MB 3.650 . 5.500 3.410 2.886 4.054 . 0 0 "[ . 1 . 2]" 1
22 1 5 THR H 1 5 THR HA 2.650 . 3.500 2.841 2.682 2.925 . 0 0 "[ . 1 . 2]" 1
23 1 5 THR H 1 5 THR HB 2.650 . 3.500 2.553 2.439 2.803 . 0 0 "[ . 1 . 2]" 1
24 1 5 THR H 1 5 THR MG 3.000 . 4.200 3.599 2.304 3.701 . 0 0 "[ . 1 . 2]" 1
25 1 5 THR H 1 6 LEU H 3.045 . 4.290 3.390 2.417 4.411 0.121 3 0 "[ . 1 . 2]" 1
26 1 5 THR HA 1 6 LEU HG 2.650 . 3.500 3.485 3.315 3.571 0.071 6 0 "[ . 1 . 2]" 1
27 1 5 THR HA 1 7 ASN H 3.400 . 5.000 4.089 3.579 5.004 0.004 8 0 "[ . 1 . 2]" 1
28 1 5 THR HB 1 7 ASN H 2.690 . 3.580 3.233 2.498 3.877 0.297 2 0 "[ . 1 . 2]" 1
29 1 5 THR MG 1 6 LEU H 4.040 . 6.280 3.303 1.716 4.295 0.084 17 0 "[ . 1 . 2]" 1
30 1 5 THR MG 1 7 ASN H 4.165 . 6.530 2.799 1.730 4.329 0.070 2 0 "[ . 1 . 2]" 1
31 1 5 THR MG 1 7 ASN QD 4.455 . 7.110 2.563 1.797 4.203 0.003 12 0 "[ . 1 . 2]" 1
32 1 5 THR MG 1 31 ASN QD 4.595 . 7.390 4.391 2.260 5.520 . 0 0 "[ . 1 . 2]" 1
33 1 6 LEU H 1 6 LEU HA 2.650 . 3.500 2.537 2.286 2.984 . 0 0 "[ . 1 . 2]" 1
34 1 6 LEU H 1 6 LEU QB 2.800 . 3.800 3.138 2.514 3.496 . 0 0 "[ . 1 . 2]" 1
35 1 6 LEU H 1 6 LEU MD1 4.165 . 6.530 4.032 2.516 4.545 . 0 0 "[ . 1 . 2]" 1
36 1 6 LEU H 1 6 LEU MD2 4.165 . 6.530 3.150 2.535 4.504 . 0 0 "[ . 1 . 2]" 1
37 1 6 LEU H 1 7 ASN H 2.580 . 3.360 2.744 1.763 3.365 0.037 8 0 "[ . 1 . 2]" 1
38 1 6 LEU HA 1 6 LEU MD1 3.650 . 5.500 3.855 3.578 3.910 . 0 0 "[ . 1 . 2]" 1
39 1 6 LEU HA 1 6 LEU MD2 3.650 . 5.500 2.424 2.081 4.129 . 0 0 "[ . 1 . 2]" 1
40 1 6 LEU HA 1 6 LEU HG 2.650 . 3.500 3.270 2.945 3.674 0.174 2 0 "[ . 1 . 2]" 1
41 1 6 LEU HA 1 31 ASN QD 3.850 . 5.900 3.945 2.852 4.985 . 0 0 "[ . 1 . 2]" 1
42 1 6 LEU QB 1 7 ASN H 3.420 . 5.040 3.339 2.557 4.062 . 0 0 "[ . 1 . 2]" 1
43 1 7 ASN H 1 7 ASN HA 2.210 . 2.620 2.755 2.727 2.820 0.200 2 0 "[ . 1 . 2]" 1
44 1 7 ASN H 1 7 ASN HB2 2.535 . 3.270 2.502 2.322 2.701 . 0 0 "[ . 1 . 2]" 1
45 1 7 ASN H 1 7 ASN HB3 2.720 . 3.640 3.549 3.534 3.574 . 0 0 "[ . 1 . 2]" 1
46 1 7 ASN H 1 8 CYS H 3.140 . 4.480 4.517 4.495 4.565 0.085 5 0 "[ . 1 . 2]" 1
47 1 7 ASN H 1 31 ASN QD 3.895 . 5.990 3.604 2.037 5.152 . 0 0 "[ . 1 . 2]" 1
48 1 7 ASN HA 1 8 CYS H 2.240 . 2.680 2.422 2.213 2.636 . 0 0 "[ . 1 . 2]" 1
49 1 7 ASN HB2 1 8 CYS H 2.720 . 3.640 3.425 3.090 3.690 0.050 8 0 "[ . 1 . 2]" 1
50 1 7 ASN HB3 1 8 CYS H 2.690 . 3.580 2.273 2.024 2.742 . 0 0 "[ . 1 . 2]" 1
51 1 8 CYS H 1 8 CYS HB2 2.765 . 3.730 2.965 2.263 3.332 . 0 0 "[ . 1 . 2]" 1
52 1 8 CYS H 1 8 CYS QB 2.560 . 3.320 2.810 2.238 3.036 . 0 0 "[ . 1 . 2]" 1
53 1 8 CYS H 1 8 CYS HB3 2.765 . 3.730 3.573 3.488 3.685 . 0 0 "[ . 1 . 2]" 1
54 1 8 CYS H 1 9 ASP H 3.650 . 5.500 4.503 4.370 4.609 . 0 0 "[ . 1 . 2]" 1
55 1 8 CYS HA 1 9 ASP H 2.130 . 2.460 2.155 2.072 2.397 . 0 0 "[ . 1 . 2]" 1
56 1 8 CYS HA 1 30 THR H 2.565 . 3.330 2.845 2.094 3.368 0.038 19 0 "[ . 1 . 2]" 1
57 1 8 CYS QB 1 9 ASP H 2.630 . 3.460 3.050 2.498 3.202 . 0 0 "[ . 1 . 2]" 1
58 1 8 CYS QB 1 29 CYS HA 3.470 . 5.140 2.554 2.024 3.845 . 0 0 "[ . 1 . 2]" 1
59 1 8 CYS HB2 1 9 ASP H 2.765 . 3.730 3.738 3.581 3.899 0.169 9 0 "[ . 1 . 2]" 1
60 1 8 CYS HB3 1 9 ASP H 2.765 . 3.730 3.272 2.533 3.588 . 0 0 "[ . 1 . 2]" 1
61 1 9 ASP H 1 9 ASP HB2 2.315 . 2.830 2.800 2.511 2.987 0.157 9 0 "[ . 1 . 2]" 1
62 1 9 ASP H 1 9 ASP HB3 2.365 . 2.930 2.500 2.383 2.753 . 0 0 "[ . 1 . 2]" 1
63 1 9 ASP H 1 12 ILE MD 3.960 . 6.120 4.666 3.836 5.218 . 0 0 "[ . 1 . 2]" 1
64 1 9 ASP H 1 30 THR O 1.900 . 2.000 2.042 2.014 2.139 0.139 20 0 "[ . 1 . 2]" 1
65 1 9 ASP H 1 31 ASN HA 2.735 . 3.670 3.195 2.498 3.714 0.044 17 0 "[ . 1 . 2]" 1
66 1 9 ASP HA 1 10 PRO HD2 2.410 . 3.020 2.314 2.124 2.517 . 0 0 "[ . 1 . 2]" 1
67 1 9 ASP HA 1 10 PRO HD3 2.410 . 3.020 2.207 2.026 2.422 . 0 0 "[ . 1 . 2]" 1
68 1 9 ASP HA 1 11 ARG H 3.090 . 4.380 4.098 3.525 4.432 0.052 19 0 "[ . 1 . 2]" 1
69 1 9 ASP HB2 1 12 ILE MD 3.700 . 5.600 3.763 2.568 4.730 . 0 0 "[ . 1 . 2]" 1
70 1 9 ASP HB2 1 31 ASN QB 3.625 . 5.450 2.330 1.918 3.740 . 0 0 "[ . 1 . 2]" 1
71 1 9 ASP HB2 1 32 CYS H 3.650 . 5.500 3.464 3.070 4.148 . 0 0 "[ . 1 . 2]" 1
72 1 9 ASP HB3 1 12 ILE H 3.215 . 4.630 2.901 2.243 3.289 . 0 0 "[ . 1 . 2]" 1
73 1 9 ASP HB3 1 12 ILE MD 3.280 . 4.760 2.932 2.093 3.851 . 0 0 "[ . 1 . 2]" 1
74 1 9 ASP N 1 30 THR O 2.400 . 3.000 2.907 2.619 3.015 0.015 5 0 "[ . 1 . 2]" 1
75 1 9 ASP O 1 12 ILE H 1.900 . 2.000 2.052 2.017 2.087 0.087 19 0 "[ . 1 . 2]" 1
76 1 9 ASP O 1 12 ILE N 2.400 . 3.000 2.778 2.686 2.976 . 0 0 "[ . 1 . 2]" 1
77 1 10 PRO HA 1 11 ARG H 2.595 . 3.390 3.389 2.519 3.469 0.079 12 0 "[ . 1 . 2]" 1
78 1 10 PRO HA 1 12 ILE H 3.295 . 4.790 4.279 4.025 4.510 . 0 0 "[ . 1 . 2]" 1
79 1 11 ARG H 1 11 ARG HD2 3.650 . 5.500 4.534 1.773 5.569 0.069 4 0 "[ . 1 . 2]" 1
80 1 11 ARG H 1 11 ARG HD3 3.650 . 5.500 4.216 2.395 5.645 0.145 6 0 "[ . 1 . 2]" 1
81 1 11 ARG H 1 11 ARG HE 3.075 . 4.350 3.853 1.785 4.445 0.095 19 0 "[ . 1 . 2]" 1
82 1 11 ARG H 1 11 ARG QG 3.810 . 5.820 2.539 1.725 3.971 0.075 5 0 "[ . 1 . 2]" 1
83 1 11 ARG H 1 12 ILE H 2.225 . 2.650 2.326 1.714 2.558 0.086 19 0 "[ . 1 . 2]" 1
84 1 11 ARG H 1 12 ILE MD 4.085 . 6.370 5.089 4.414 5.349 . 0 0 "[ . 1 . 2]" 1
85 1 11 ARG HA 1 11 ARG HD2 3.650 . 5.500 4.680 2.719 5.527 0.027 20 0 "[ . 1 . 2]" 1
86 1 11 ARG HA 1 11 ARG HD3 3.650 . 5.500 4.805 2.873 5.530 0.030 19 0 "[ . 1 . 2]" 1
87 1 11 ARG HA 1 11 ARG HE 3.650 . 5.500 4.744 1.786 5.630 0.130 17 0 "[ . 1 . 2]" 1
88 1 11 ARG QB 1 11 ARG HE 3.175 . 4.550 2.761 1.882 3.854 . 0 0 "[ . 1 . 2]" 1
89 1 11 ARG HD2 1 49 VAL MG1 4.165 . 6.530 3.586 2.126 5.360 . 0 0 "[ . 1 . 2]" 1
90 1 11 ARG HD3 1 49 VAL MG1 4.165 . 6.530 4.204 3.332 5.371 . 0 0 "[ . 1 . 2]" 1
91 1 11 ARG HE 1 49 VAL MG1 3.670 . 5.540 3.523 2.254 4.557 . 0 0 "[ . 1 . 2]" 1
92 1 12 ILE H 1 12 ILE HB 2.160 . 2.520 2.451 2.313 2.578 0.058 20 0 "[ . 1 . 2]" 1
93 1 12 ILE H 1 12 ILE MD 3.250 . 4.700 3.646 3.212 3.813 . 0 0 "[ . 1 . 2]" 1
94 1 12 ILE H 1 12 ILE QG 3.405 . 5.010 2.373 2.155 2.786 . 0 0 "[ . 1 . 2]" 1
95 1 12 ILE H 1 13 ALA H 3.650 . 5.500 4.556 4.499 4.613 . 0 0 "[ . 1 . 2]" 1
96 1 12 ILE HA 1 12 ILE MD 3.030 . 4.260 2.999 2.076 3.730 . 0 0 "[ . 1 . 2]" 1
97 1 12 ILE HA 1 13 ALA H 2.100 . 2.400 2.155 2.034 2.314 . 0 0 "[ . 1 . 2]" 1
98 1 12 ILE HA 1 14 TYR H 3.400 . 5.000 4.284 4.039 4.519 . 0 0 "[ . 1 . 2]" 1
99 1 12 ILE HA 1 43 SER HA 2.610 . 3.420 2.547 1.933 3.310 . 0 0 "[ . 1 . 2]" 1
100 1 12 ILE HA 1 44 ASP H 3.650 . 5.500 4.664 3.801 5.528 0.028 1 0 "[ . 1 . 2]" 1
101 1 12 ILE HB 1 30 THR MG 4.165 . 6.530 4.127 3.736 5.022 . 0 0 "[ . 1 . 2]" 1
102 1 12 ILE MD 1 13 ALA H 3.730 . 5.660 4.159 3.366 4.736 . 0 0 "[ . 1 . 2]" 1
103 1 12 ILE MD 1 31 ASN HA 4.165 . 6.530 3.011 2.023 3.962 . 0 0 "[ . 1 . 2]" 1
104 1 12 ILE MD 1 32 CYS H 3.450 . 5.100 2.624 1.781 3.838 0.019 13 0 "[ . 1 . 2]" 1
105 1 12 ILE MD 1 32 CYS HA 4.165 . 6.530 3.239 2.409 4.039 . 0 0 "[ . 1 . 2]" 1
106 1 12 ILE MD 1 41 TYR HB2 3.360 . 4.920 3.207 2.496 3.787 . 0 0 "[ . 1 . 2]" 1
107 1 12 ILE MD 1 41 TYR HB3 3.110 . 4.420 2.371 1.913 2.793 . 0 0 "[ . 1 . 2]" 1
108 1 12 ILE MD 1 41 TYR QD 4.350 . 6.900 3.293 2.276 4.116 . 0 0 "[ . 1 . 2]" 1
109 1 12 ILE MD 1 49 VAL HB 3.605 . 5.410 2.708 1.924 3.763 . 0 0 "[ . 1 . 2]" 1
110 1 12 ILE MD 1 49 VAL MG1 4.680 . 7.560 2.225 1.995 3.114 . 0 0 "[ . 1 . 2]" 1
111 1 12 ILE MD 1 49 VAL MG2 4.680 . 7.560 2.898 1.983 4.647 . 0 0 "[ . 1 . 2]" 1
112 1 12 ILE QG 1 13 ALA H 3.375 . 4.950 4.119 3.579 4.510 . 0 0 "[ . 1 . 2]" 1
113 1 12 ILE QG 1 49 VAL MG1 4.600 . 7.400 2.581 2.008 3.518 . 0 0 "[ . 1 . 2]" 1
114 1 12 ILE QG 1 49 VAL MG2 4.600 . 7.400 2.793 1.937 4.194 . 0 0 "[ . 1 . 2]" 1
115 1 12 ILE MG 1 13 ALA H 3.185 . 4.570 2.309 2.073 2.546 . 0 0 "[ . 1 . 2]" 1
116 1 12 ILE MG 1 14 TYR H 3.080 . 4.360 2.910 2.326 3.500 . 0 0 "[ . 1 . 2]" 1
117 1 12 ILE MG 1 14 TYR QE 5.230 . 8.660 6.161 5.691 6.465 . 0 0 "[ . 1 . 2]" 1
118 1 12 ILE MG 1 30 THR MG 4.150 . 6.500 2.470 1.848 3.677 . 0 0 "[ . 1 . 2]" 1
119 1 12 ILE MG 1 41 TYR HB2 3.635 . 5.470 3.884 3.278 4.431 . 0 0 "[ . 1 . 2]" 1
120 1 12 ILE MG 1 41 TYR QD 4.025 . 6.250 2.609 2.023 3.566 . 0 0 "[ . 1 . 2]" 1
121 1 12 ILE MG 1 42 PHE H 3.685 . 5.570 3.681 2.967 4.253 . 0 0 "[ . 1 . 2]" 1
122 1 13 ALA H 1 14 TYR H 2.100 . 2.400 2.264 2.030 2.409 0.009 19 0 "[ . 1 . 2]" 1
123 1 13 ALA H 1 14 TYR QD 4.720 . 7.640 4.593 4.353 4.911 . 0 0 "[ . 1 . 2]" 1
124 1 13 ALA H 1 42 PHE O 1.900 . 2.000 2.017 1.954 2.044 0.044 11 0 "[ . 1 . 2]" 1
125 1 13 ALA H 1 43 SER HA 2.300 . 2.800 2.384 1.835 2.847 0.047 2 0 "[ . 1 . 2]" 1
126 1 13 ALA HA 1 14 TYR H 2.660 . 3.520 3.528 3.489 3.546 0.026 13 0 "[ . 1 . 2]" 1
127 1 13 ALA HA 1 14 TYR QD 4.720 . 7.640 3.908 3.743 4.169 . 0 0 "[ . 1 . 2]" 1
128 1 13 ALA HA 1 44 ASP H 3.495 . 5.190 4.602 4.400 4.789 . 0 0 "[ . 1 . 2]" 1
129 1 13 ALA MB 1 14 TYR H 3.000 . 4.200 2.055 1.910 2.192 . 0 0 "[ . 1 . 2]" 1
130 1 13 ALA MB 1 14 TYR QE 5.030 . 8.260 2.819 2.488 3.325 . 0 0 "[ . 1 . 2]" 1
131 1 13 ALA MB 1 42 PHE QD 4.125 . 6.450 3.792 3.608 3.997 . 0 0 "[ . 1 . 2]" 1
132 1 13 ALA MB 1 43 SER HA 3.495 . 5.190 2.642 2.068 2.965 . 0 0 "[ . 1 . 2]" 1
133 1 13 ALA MB 1 44 ASP H 3.095 . 4.390 2.606 2.165 2.963 . 0 0 "[ . 1 . 2]" 1
134 1 13 ALA N 1 42 PHE O 2.400 . 3.000 2.887 2.849 2.919 . 0 0 "[ . 1 . 2]" 1
135 1 14 TYR H 1 14 TYR HA 2.365 . 2.930 2.916 2.899 2.966 0.036 1 0 "[ . 1 . 2]" 1
136 1 14 TYR H 1 14 TYR QE 4.715 . 7.630 4.335 3.954 4.591 . 0 0 "[ . 1 . 2]" 1
137 1 14 TYR H 1 42 PHE H 2.595 . 3.390 3.398 3.326 3.425 0.035 7 0 "[ . 1 . 2]" 1
138 1 14 TYR H 1 42 PHE O 1.900 . 2.000 2.071 2.049 2.090 0.090 16 0 "[ . 1 . 2]" 1
139 1 14 TYR H 1 43 SER HA 3.000 . 4.200 4.095 3.914 4.228 0.028 11 0 "[ . 1 . 2]" 1
140 1 14 TYR HA 1 14 TYR HB2 2.350 . 2.900 2.531 2.456 2.641 . 0 0 "[ . 1 . 2]" 1
141 1 14 TYR HA 1 14 TYR HB3 2.350 . 2.900 2.465 2.394 2.549 . 0 0 "[ . 1 . 2]" 1
142 1 14 TYR HA 1 15 GLY H 2.240 . 2.680 2.617 2.265 2.738 0.058 15 0 "[ . 1 . 2]" 1
143 1 14 TYR HA 1 27 ARG HA 3.570 . 5.340 4.363 3.801 5.347 0.007 18 0 "[ . 1 . 2]" 1
144 1 14 TYR HA 1 28 ILE MD 3.840 . 5.880 2.814 1.900 3.986 . 0 0 "[ . 1 . 2]" 1
145 1 14 TYR HA 1 28 ILE QG 3.765 . 5.730 3.935 2.066 5.149 . 0 0 "[ . 1 . 2]" 1
146 1 14 TYR HA 1 28 ILE MG 3.900 . 6.000 4.776 4.224 5.109 . 0 0 "[ . 1 . 2]" 1
147 1 14 TYR QB 1 28 ILE H 3.545 . 5.290 2.089 1.666 3.300 0.134 12 0 "[ . 1 . 2]" 1
148 1 14 TYR HB2 1 15 GLY H 2.650 . 3.500 2.039 1.860 2.317 . 0 0 "[ . 1 . 2]" 1
149 1 14 TYR HB3 1 15 GLY H 2.650 . 3.500 3.494 3.380 3.532 0.032 12 0 "[ . 1 . 2]" 1
150 1 14 TYR QD 1 15 GLY H 4.055 . 6.310 2.831 2.053 3.556 . 0 0 "[ . 1 . 2]" 1
151 1 14 TYR QD 1 16 VAL H 4.720 . 7.640 4.622 4.224 5.098 . 0 0 "[ . 1 . 2]" 1
152 1 14 TYR QD 1 42 PHE HB2 4.720 . 7.640 5.186 4.701 5.781 . 0 0 "[ . 1 . 2]" 1
153 1 14 TYR QE 1 15 GLY H 4.715 . 7.630 5.050 4.270 5.744 . 0 0 "[ . 1 . 2]" 1
154 1 14 TYR QE 1 16 VAL H 4.715 . 7.630 5.534 4.992 6.252 . 0 0 "[ . 1 . 2]" 1
155 1 14 TYR QE 1 28 ILE MD 4.395 . 6.990 5.141 4.066 5.419 . 0 0 "[ . 1 . 2]" 1
156 1 14 TYR QE 1 42 PHE HB2 4.670 . 7.540 4.453 3.672 5.242 . 0 0 "[ . 1 . 2]" 1
157 1 14 TYR QE 1 42 PHE HB3 4.455 . 7.110 5.710 4.940 6.352 . 0 0 "[ . 1 . 2]" 1
158 1 14 TYR QE 1 42 PHE QD 5.775 . 9.750 3.173 2.300 3.561 . 0 0 "[ . 1 . 2]" 1
159 1 14 TYR QE 1 42 PHE QE 5.775 . 9.750 2.502 2.202 3.224 . 0 0 "[ . 1 . 2]" 1
160 1 14 TYR QE 1 46 GLY H 4.670 . 7.540 5.639 4.407 6.693 . 0 0 "[ . 1 . 2]" 1
161 1 14 TYR N 1 42 PHE O 2.400 . 3.000 3.035 3.013 3.057 0.057 12 0 "[ . 1 . 2]" 1
162 1 14 TYR O 1 42 PHE H 1.900 . 2.000 1.995 1.954 2.048 0.048 9 0 "[ . 1 . 2]" 1
163 1 14 TYR O 1 42 PHE N 2.400 . 3.000 2.827 2.726 2.964 . 0 0 "[ . 1 . 2]" 1
164 1 15 GLY H 1 28 ILE MD 3.465 . 5.130 2.476 1.793 3.325 0.007 14 0 "[ . 1 . 2]" 1
165 1 15 GLY QA 1 16 VAL H 2.135 . 2.470 2.152 2.116 2.232 . 0 0 "[ . 1 . 2]" 1
166 1 15 GLY QA 1 41 TYR HA 2.505 . 3.210 2.041 1.918 2.152 . 0 0 "[ . 1 . 2]" 1
167 1 15 GLY QA 1 41 TYR QD 3.875 . 5.950 2.694 2.047 3.236 . 0 0 "[ . 1 . 2]" 1
168 1 15 GLY QA 1 41 TYR QE 4.115 . 6.430 3.197 2.895 3.644 . 0 0 "[ . 1 . 2]" 1
169 1 15 GLY QA 1 42 PHE H 3.140 . 4.480 2.860 2.654 3.350 . 0 0 "[ . 1 . 2]" 1
170 1 15 GLY QA 1 42 PHE QD 5.150 . 8.500 3.239 3.012 4.245 . 0 0 "[ . 1 . 2]" 1
171 1 15 GLY HA2 1 16 VAL H 2.285 . 2.770 2.257 2.192 2.492 . 0 0 "[ . 1 . 2]" 1
172 1 15 GLY HA2 1 41 TYR HA 2.705 . 3.610 2.208 1.989 2.363 . 0 0 "[ . 1 . 2]" 1
173 1 15 GLY HA2 1 41 TYR QD 3.990 . 6.180 3.699 3.005 4.296 . 0 0 "[ . 1 . 2]" 1
174 1 15 GLY HA2 1 42 PHE H 3.435 . 5.070 2.928 2.714 3.405 . 0 0 "[ . 1 . 2]" 1
175 1 15 GLY HA3 1 16 VAL H 2.285 . 2.770 2.746 2.520 2.813 0.043 20 0 "[ . 1 . 2]" 1
176 1 15 GLY HA3 1 41 TYR HA 2.705 . 3.610 2.509 2.151 3.342 . 0 0 "[ . 1 . 2]" 1
177 1 15 GLY HA3 1 41 TYR QD 3.990 . 6.180 2.784 2.083 3.347 . 0 0 "[ . 1 . 2]" 1
178 1 15 GLY HA3 1 42 PHE H 3.435 . 5.070 4.024 3.690 4.963 . 0 0 "[ . 1 . 2]" 1
179 1 16 VAL H 1 16 VAL HB 2.300 . 2.800 2.695 2.439 2.835 0.035 18 0 "[ . 1 . 2]" 1
180 1 16 VAL H 1 40 LYS H 2.485 . 3.170 2.658 2.219 3.182 0.012 3 0 "[ . 1 . 2]" 1
181 1 16 VAL H 1 40 LYS O 1.900 . 2.000 2.049 2.019 2.071 0.071 2 0 "[ . 1 . 2]" 1
182 1 16 VAL H 1 41 TYR HA 2.735 . 3.670 3.697 3.673 3.715 0.045 20 0 "[ . 1 . 2]" 1
183 1 16 VAL H 1 41 TYR QD 4.720 . 7.640 4.389 3.130 5.009 . 0 0 "[ . 1 . 2]" 1
184 1 16 VAL H 1 42 PHE QE 4.495 . 7.190 3.257 2.799 4.114 . 0 0 "[ . 1 . 2]" 1
185 1 16 VAL HA 1 17 CYS H 2.100 . 2.400 2.153 2.051 2.426 0.026 5 0 "[ . 1 . 2]" 1
186 1 16 VAL HB 1 42 PHE QD 4.710 . 7.620 5.454 4.941 5.989 . 0 0 "[ . 1 . 2]" 1
187 1 16 VAL HB 1 42 PHE QE 3.705 . 5.610 3.487 2.721 4.076 . 0 0 "[ . 1 . 2]" 1
188 1 16 VAL HB 1 42 PHE HZ 3.110 . 4.420 2.308 1.994 3.063 . 0 0 "[ . 1 . 2]" 1
189 1 16 VAL MG1 1 17 CYS H 4.135 . 6.470 2.655 1.839 3.219 . 0 0 "[ . 1 . 2]" 1
190 1 16 VAL MG1 1 42 PHE QE 5.195 . 8.590 4.419 3.866 4.657 . 0 0 "[ . 1 . 2]" 1
191 1 16 VAL MG2 1 17 CYS H 4.135 . 6.470 3.932 3.627 4.182 . 0 0 "[ . 1 . 2]" 1
192 1 16 VAL MG2 1 42 PHE QE 5.195 . 8.590 2.181 1.887 2.448 . 0 0 "[ . 1 . 2]" 1
193 1 16 VAL N 1 40 LYS O 2.400 . 3.000 2.957 2.847 3.010 0.010 5 0 "[ . 1 . 2]" 1
194 1 17 CYS H 1 17 CYS QB 2.755 . 3.710 2.579 2.329 3.022 . 0 0 "[ . 1 . 2]" 1
195 1 17 CYS H 1 20 SER H 3.650 . 5.500 5.025 4.022 5.533 0.033 7 0 "[ . 1 . 2]" 1
196 1 17 CYS HA 1 18 PRO HD2 2.470 . 3.140 2.612 2.217 3.143 0.003 6 0 "[ . 1 . 2]" 1
197 1 17 CYS HA 1 18 PRO QD 2.380 . 2.960 2.112 1.959 2.280 . 0 0 "[ . 1 . 2]" 1
198 1 17 CYS HA 1 18 PRO HD3 2.470 . 3.140 2.271 2.107 2.772 . 0 0 "[ . 1 . 2]" 1
199 1 17 CYS HA 1 39 CYS HA 2.300 . 2.800 2.049 1.891 2.645 . 0 0 "[ . 1 . 2]" 1
200 1 17 CYS HA 1 39 CYS HB3 3.650 . 5.500 3.529 2.888 4.181 . 0 0 "[ . 1 . 2]" 1
201 1 17 CYS HA 1 40 LYS H 2.750 . 3.700 3.554 3.027 3.741 0.041 14 0 "[ . 1 . 2]" 1
202 1 17 CYS QB 1 18 PRO QD 3.305 . 4.810 2.259 1.893 3.149 . 0 0 "[ . 1 . 2]" 1
203 1 17 CYS HB2 1 18 PRO HD2 3.650 . 5.500 3.609 2.424 4.302 . 0 0 "[ . 1 . 2]" 1
204 1 17 CYS HB2 1 18 PRO HD3 3.650 . 5.500 4.464 3.550 4.881 . 0 0 "[ . 1 . 2]" 1
205 1 17 CYS HB3 1 18 PRO HD2 3.650 . 5.500 2.346 1.950 3.471 . 0 0 "[ . 1 . 2]" 1
206 1 17 CYS HB3 1 18 PRO HD3 3.650 . 5.500 3.513 2.780 4.423 . 0 0 "[ . 1 . 2]" 1
207 1 18 PRO HA 1 19 ARG H 2.130 . 2.460 2.217 2.086 2.474 0.014 14 0 "[ . 1 . 2]" 1
208 1 18 PRO HB3 1 19 ARG H 2.815 . 3.830 3.337 2.592 3.848 0.018 1 0 "[ . 1 . 2]" 1
209 1 18 PRO QD 1 19 ARG H 3.695 . 5.590 4.966 4.799 5.042 . 0 0 "[ . 1 . 2]" 1
210 1 19 ARG H 1 19 ARG HA 2.180 . 2.560 2.311 2.276 2.337 . 0 0 "[ . 1 . 2]" 1
211 1 19 ARG H 1 19 ARG QD 4.090 . 6.380 3.625 2.148 5.389 . 0 0 "[ . 1 . 2]" 1
212 1 19 ARG H 1 19 ARG HE 3.650 . 5.500 4.442 2.402 5.534 0.034 7 0 "[ . 1 . 2]" 1
213 1 19 ARG H 1 19 ARG QG 3.515 . 5.230 3.286 2.458 4.572 . 0 0 "[ . 1 . 2]" 1
214 1 19 ARG H 1 20 SER H 2.395 . 2.990 2.736 2.449 3.004 0.014 1 0 "[ . 1 . 2]" 1
215 1 19 ARG HA 1 19 ARG HE 3.650 . 5.500 4.067 1.936 5.509 0.009 7 0 "[ . 1 . 2]" 1
216 1 19 ARG HA 1 20 SER H 2.300 . 2.800 2.738 2.310 2.860 0.060 7 0 "[ . 1 . 2]" 1
217 1 19 ARG QB 1 20 SER H 3.160 . 4.520 3.820 3.718 3.994 . 0 0 "[ . 1 . 2]" 1
218 1 19 ARG HB2 1 20 SER H 3.260 . 4.720 4.243 3.990 4.624 . 0 0 "[ . 1 . 2]" 1
219 1 19 ARG HB3 1 20 SER H 3.260 . 4.720 4.366 3.976 4.572 . 0 0 "[ . 1 . 2]" 1
220 1 19 ARG QD 1 20 SER H 4.090 . 6.380 4.961 4.277 5.816 . 0 0 "[ . 1 . 2]" 1
221 1 19 ARG QG 1 20 SER H 4.090 . 6.380 4.552 3.971 4.876 . 0 0 "[ . 1 . 2]" 1
222 1 20 SER H 1 21 GLU H 2.660 . 3.520 3.233 2.584 3.651 0.131 17 0 "[ . 1 . 2]" 1
223 1 20 SER HA 1 21 GLU H 2.145 . 2.490 2.324 2.079 2.522 0.032 6 0 "[ . 1 . 2]" 1
224 1 20 SER QB 1 21 GLU H 3.125 . 4.450 3.826 3.507 4.032 . 0 0 "[ . 1 . 2]" 1
225 1 21 GLU H 1 21 GLU HA 2.270 . 2.740 2.693 2.305 2.920 0.180 18 0 "[ . 1 . 2]" 1
226 1 21 GLU H 1 21 GLU HG2 3.310 . 4.820 3.755 2.563 4.612 . 0 0 "[ . 1 . 2]" 1
227 1 21 GLU H 1 21 GLU QG 3.170 . 4.540 3.152 2.182 4.086 . 0 0 "[ . 1 . 2]" 1
228 1 21 GLU H 1 21 GLU HG3 3.310 . 4.820 3.629 2.208 4.636 . 0 0 "[ . 1 . 2]" 1
229 1 21 GLU H 1 22 GLU H 3.045 . 4.290 3.611 2.402 4.407 0.117 8 0 "[ . 1 . 2]" 1
230 1 22 GLU H 1 22 GLU HA 2.650 . 3.500 2.307 2.255 2.345 . 0 0 "[ . 1 . 2]" 1
231 1 22 GLU H 1 22 GLU QB 2.780 . 3.760 2.966 2.706 3.210 . 0 0 "[ . 1 . 2]" 1
232 1 22 GLU H 1 22 GLU HG2 3.650 . 5.500 4.609 3.722 5.293 . 0 0 "[ . 1 . 2]" 1
233 1 22 GLU H 1 22 GLU QG 3.490 . 5.180 4.038 3.599 4.406 . 0 0 "[ . 1 . 2]" 1
234 1 22 GLU H 1 22 GLU HG3 3.650 . 5.500 4.630 3.827 5.314 . 0 0 "[ . 1 . 2]" 1
235 1 22 GLU HA 1 23 LYS H 2.195 . 2.590 2.295 2.082 2.637 0.047 5 0 "[ . 1 . 2]" 1
236 1 23 LYS H 1 23 LYS HA 2.315 . 2.830 2.857 2.308 2.950 0.120 15 0 "[ . 1 . 2]" 1
237 1 23 LYS H 1 23 LYS HB2 2.675 . 3.550 2.587 2.103 3.486 . 0 0 "[ . 1 . 2]" 1
238 1 23 LYS H 1 23 LYS QB 2.510 . 3.220 2.307 2.085 2.815 . 0 0 "[ . 1 . 2]" 1
239 1 23 LYS H 1 23 LYS HB3 2.675 . 3.550 3.127 2.119 3.746 0.196 11 0 "[ . 1 . 2]" 1
240 1 23 LYS H 1 23 LYS QD 4.090 . 6.380 4.140 2.295 5.189 . 0 0 "[ . 1 . 2]" 1
241 1 23 LYS H 1 23 LYS QE 4.090 . 6.380 4.681 2.863 5.796 . 0 0 "[ . 1 . 2]" 1
242 1 23 LYS H 1 23 LYS QG 4.090 . 6.380 3.523 2.508 4.325 . 0 0 "[ . 1 . 2]" 1
243 1 23 LYS HA 1 23 LYS QD 4.090 . 6.380 3.445 2.057 4.349 . 0 0 "[ . 1 . 2]" 1
244 1 23 LYS HB2 1 23 LYS QE 4.090 . 6.380 3.237 2.084 4.570 . 0 0 "[ . 1 . 2]" 1
245 1 23 LYS HB3 1 23 LYS QE 4.090 . 6.380 3.519 2.128 4.537 . 0 0 "[ . 1 . 2]" 1
246 1 24 LYS H 1 24 LYS QG 4.090 . 6.380 2.488 1.797 4.492 0.003 3 0 "[ . 1 . 2]" 1
247 1 24 LYS H 1 25 ASN H 2.905 . 4.010 3.368 2.385 4.038 0.028 8 0 "[ . 1 . 2]" 1
248 1 24 LYS H 1 25 ASN HA 3.650 . 5.500 5.162 4.371 5.580 0.080 9 0 "[ . 1 . 2]" 1
249 1 24 LYS HA 1 24 LYS QD 4.090 . 6.380 3.851 2.171 4.664 . 0 0 "[ . 1 . 2]" 1
250 1 24 LYS HA 1 24 LYS QE 4.090 . 6.380 4.735 3.495 5.382 . 0 0 "[ . 1 . 2]" 1
251 1 24 LYS HA 1 25 ASN H 2.145 . 2.490 2.385 2.029 2.544 0.054 11 0 "[ . 1 . 2]" 1
252 1 24 LYS QB 1 24 LYS QE 3.905 . 6.010 3.129 2.034 3.875 . 0 0 "[ . 1 . 2]" 1
253 1 24 LYS QB 1 25 ASN H 3.530 . 5.260 3.834 2.974 4.039 . 0 0 "[ . 1 . 2]" 1
254 1 24 LYS QB 1 26 ASP H 4.090 . 6.380 4.724 2.517 5.741 . 0 0 "[ . 1 . 2]" 1
255 1 24 LYS QB 1 42 PHE QE 4.775 . 7.750 3.785 2.850 4.939 . 0 0 "[ . 1 . 2]" 1
256 1 24 LYS QB 1 42 PHE HZ 3.685 . 5.570 4.616 3.812 5.005 . 0 0 "[ . 1 . 2]" 1
257 1 24 LYS HB2 1 24 LYS QE 4.090 . 6.380 3.661 2.047 4.587 . 0 0 "[ . 1 . 2]" 1
258 1 24 LYS HB3 1 24 LYS QE 4.090 . 6.380 3.609 2.054 4.590 . 0 0 "[ . 1 . 2]" 1
259 1 25 ASN H 1 25 ASN HA 2.335 . 2.870 2.862 2.326 2.928 0.058 8 0 "[ . 1 . 2]" 1
260 1 25 ASN H 1 25 ASN HB2 2.780 . 3.760 2.871 2.139 3.143 . 0 0 "[ . 1 . 2]" 1
261 1 25 ASN H 1 25 ASN QB 2.670 . 3.540 2.778 2.117 3.015 . 0 0 "[ . 1 . 2]" 1
262 1 25 ASN H 1 25 ASN HB3 2.780 . 3.760 3.723 3.389 3.879 0.119 19 0 "[ . 1 . 2]" 1
263 1 25 ASN H 1 26 ASP H 2.505 . 3.210 2.268 1.784 3.148 0.016 12 0 "[ . 1 . 2]" 1
264 1 25 ASN HA 1 26 ASP H 2.395 . 2.990 2.775 2.229 3.051 0.061 11 0 "[ . 1 . 2]" 1
265 1 26 ASP H 1 26 ASP QB 2.865 . 3.930 2.886 2.627 3.405 . 0 0 "[ . 1 . 2]" 1
266 1 26 ASP H 1 27 ARG H 2.815 . 3.830 3.501 2.175 3.924 0.094 2 0 "[ . 1 . 2]" 1
267 1 26 ASP HA 1 27 ARG H 2.210 . 2.620 2.232 2.049 2.655 0.035 14 0 "[ . 1 . 2]" 1
268 1 27 ARG H 1 27 ARG HB2 2.505 . 3.210 2.875 2.783 2.994 . 0 0 "[ . 1 . 2]" 1
269 1 27 ARG H 1 27 ARG HB3 2.425 . 3.050 2.542 2.251 3.162 0.112 15 0 "[ . 1 . 2]" 1
270 1 27 ARG H 1 27 ARG QD 4.090 . 6.380 4.559 4.046 5.105 . 0 0 "[ . 1 . 2]" 1
271 1 27 ARG H 1 27 ARG HG2 3.650 . 5.500 4.487 4.281 4.878 . 0 0 "[ . 1 . 2]" 1
272 1 27 ARG H 1 27 ARG QG 4.090 . 6.380 4.087 3.910 4.307 . 0 0 "[ . 1 . 2]" 1
273 1 27 ARG H 1 27 ARG HG3 3.650 . 5.500 4.718 4.518 5.055 . 0 0 "[ . 1 . 2]" 1
274 1 27 ARG H 1 28 ILE H 2.860 . 3.920 3.915 3.733 4.088 0.168 17 0 "[ . 1 . 2]" 1
275 1 27 ARG HA 1 27 ARG QD 4.090 . 6.380 4.132 3.939 4.403 . 0 0 "[ . 1 . 2]" 1
276 1 27 ARG HA 1 28 ILE H 2.100 . 2.400 2.198 1.956 2.371 . 0 0 "[ . 1 . 2]" 1
277 1 27 ARG HB2 1 27 ARG HE 3.650 . 5.500 3.972 2.211 5.217 . 0 0 "[ . 1 . 2]" 1
278 1 27 ARG HB2 1 28 ILE H 3.510 . 5.220 4.456 4.220 4.615 . 0 0 "[ . 1 . 2]" 1
279 1 27 ARG HB3 1 27 ARG HE 3.650 . 5.500 3.721 2.126 4.827 . 0 0 "[ . 1 . 2]" 1
280 1 28 ILE H 1 28 ILE HA 2.285 . 2.770 2.843 2.815 2.882 0.112 17 0 "[ . 1 . 2]" 1
281 1 28 ILE H 1 28 ILE HB 2.650 . 3.500 2.860 2.382 3.189 . 0 0 "[ . 1 . 2]" 1
282 1 28 ILE H 1 28 ILE MD 4.165 . 6.530 2.541 1.639 3.468 0.161 5 0 "[ . 1 . 2]" 1
283 1 28 ILE H 1 28 ILE HG12 3.045 . 4.290 3.188 1.941 3.789 . 0 0 "[ . 1 . 2]" 1
284 1 28 ILE H 1 28 ILE QG 2.685 . 3.570 2.022 1.728 3.015 0.072 13 0 "[ . 1 . 2]" 1
285 1 28 ILE H 1 28 ILE HG13 3.045 . 4.290 2.122 1.746 3.386 0.054 13 0 "[ . 1 . 2]" 1
286 1 28 ILE H 1 28 ILE MG 3.015 . 4.230 3.669 3.584 3.716 . 0 0 "[ . 1 . 2]" 1
287 1 28 ILE HA 1 28 ILE HB 2.365 . 2.930 2.989 2.951 3.016 0.086 12 0 "[ . 1 . 2]" 1
288 1 28 ILE HB 1 29 CYS H 2.285 . 2.770 2.839 2.787 2.921 0.151 19 0 "[ . 1 . 2]" 1
289 1 28 ILE MD 1 30 THR HB 4.165 . 6.530 4.688 4.116 5.473 . 0 0 "[ . 1 . 2]" 1
290 1 28 ILE MD 1 30 THR MG 4.400 . 7.000 3.305 2.619 4.472 . 0 0 "[ . 1 . 2]" 1
291 1 28 ILE QG 1 29 CYS H 4.090 . 6.380 4.182 3.923 4.288 . 0 0 "[ . 1 . 2]" 1
292 1 28 ILE HG12 1 30 THR MG 4.165 . 6.530 4.918 3.768 5.354 . 0 0 "[ . 1 . 2]" 1
293 1 28 ILE HG13 1 30 THR MG 4.165 . 6.530 4.820 3.414 5.335 . 0 0 "[ . 1 . 2]" 1
294 1 28 ILE MG 1 29 CYS H 3.480 . 5.160 1.665 1.574 1.908 0.226 19 0 "[ . 1 . 2]" 1
295 1 28 ILE MG 1 30 THR MG 4.680 . 7.560 3.558 2.651 4.197 . 0 0 "[ . 1 . 2]" 1
296 1 29 CYS H 1 29 CYS HB2 2.425 . 3.050 2.872 2.508 3.128 0.078 15 0 "[ . 1 . 2]" 1
297 1 29 CYS H 1 29 CYS HB3 2.270 . 2.740 2.633 2.398 2.806 0.066 20 0 "[ . 1 . 2]" 1
298 1 29 CYS H 1 30 THR H 3.325 . 4.850 3.823 3.261 4.252 . 0 0 "[ . 1 . 2]" 1
299 1 29 CYS HA 1 30 THR H 2.100 . 2.400 2.222 2.089 2.403 0.003 12 0 "[ . 1 . 2]" 1
300 1 30 THR H 1 30 THR HB 2.795 . 3.790 3.389 3.168 3.622 . 0 0 "[ . 1 . 2]" 1
301 1 30 THR H 1 30 THR MG 3.125 . 4.450 2.412 2.156 2.625 . 0 0 "[ . 1 . 2]" 1
302 1 30 THR H 1 31 ASN H 3.260 . 4.720 4.402 4.348 4.484 . 0 0 "[ . 1 . 2]" 1
303 1 30 THR HA 1 30 THR HB 2.315 . 2.830 2.510 2.455 2.582 . 0 0 "[ . 1 . 2]" 1
304 1 30 THR HA 1 31 ASN H 2.350 . 2.900 2.468 2.311 2.721 . 0 0 "[ . 1 . 2]" 1
305 1 30 THR HB 1 31 ASN H 2.970 . 4.140 3.698 3.559 3.774 . 0 0 "[ . 1 . 2]" 1
306 1 30 THR HB 1 41 TYR QE 4.715 . 7.630 4.210 3.433 4.833 . 0 0 "[ . 1 . 2]" 1
307 1 30 THR MG 1 31 ASN H 2.970 . 4.140 3.232 2.792 3.404 . 0 0 "[ . 1 . 2]" 1
308 1 30 THR MG 1 35 GLY QA 4.600 . 7.400 4.396 3.042 5.328 . 0 0 "[ . 1 . 2]" 1
309 1 30 THR MG 1 41 TYR QD 5.125 . 8.450 2.789 2.142 3.730 . 0 0 "[ . 1 . 2]" 1
310 1 30 THR MG 1 41 TYR QE 4.485 . 7.170 2.342 1.915 3.355 . 0 0 "[ . 1 . 2]" 1
311 1 31 ASN H 1 32 CYS H 3.650 . 5.500 4.443 4.346 4.533 . 0 0 "[ . 1 . 2]" 1
312 1 31 ASN H 1 34 ALA MB 3.050 . 4.300 2.443 1.770 3.349 0.030 10 0 "[ . 1 . 2]" 1
313 1 31 ASN H 1 35 GLY H 3.045 . 4.290 4.046 2.921 4.360 0.070 18 0 "[ . 1 . 2]" 1
314 1 31 ASN HA 1 32 CYS H 2.395 . 2.990 2.321 2.169 2.634 . 0 0 "[ . 1 . 2]" 1
315 1 31 ASN QB 1 31 ASN QD 2.515 . 3.230 2.166 2.120 2.254 . 0 0 "[ . 1 . 2]" 1
316 1 31 ASN HB2 1 31 ASN HD21 2.765 . 3.730 2.529 2.188 3.205 . 0 0 "[ . 1 . 2]" 1
317 1 31 ASN HB2 1 31 ASN HD22 2.765 . 3.730 3.596 3.452 3.844 0.114 12 0 "[ . 1 . 2]" 1
318 1 31 ASN HB3 1 31 ASN HD21 2.765 . 3.730 2.786 2.200 3.225 . 0 0 "[ . 1 . 2]" 1
319 1 31 ASN HB3 1 31 ASN HD22 2.765 . 3.730 3.693 3.453 3.849 0.119 16 0 "[ . 1 . 2]" 1
320 1 31 ASN QD 1 33 CYS H 4.085 . 6.370 3.820 2.772 5.222 . 0 0 "[ . 1 . 2]" 1
321 1 31 ASN QD 1 34 ALA H 4.085 . 6.370 3.097 2.007 4.076 . 0 0 "[ . 1 . 2]" 1
322 1 31 ASN QD 1 34 ALA MB 4.595 . 7.390 2.653 1.993 3.515 . 0 0 "[ . 1 . 2]" 1
323 1 32 CYS H 1 32 CYS HB2 2.365 . 2.930 2.650 2.353 2.902 . 0 0 "[ . 1 . 2]" 1
324 1 32 CYS H 1 32 CYS HB3 2.285 . 2.770 2.456 2.309 2.781 0.011 15 0 "[ . 1 . 2]" 1
325 1 32 CYS H 1 33 CYS H 2.395 . 2.990 2.775 2.391 3.000 0.010 2 0 "[ . 1 . 2]" 1
326 1 32 CYS HA 1 32 CYS HB2 2.395 . 2.990 2.426 2.358 2.531 . 0 0 "[ . 1 . 2]" 1
327 1 32 CYS HA 1 34 ALA H 0.000 . 5.000 4.411 3.858 4.777 . 0 0 "[ . 1 . 2]" 1
328 1 32 CYS HA 1 35 GLY H 2.985 . 4.170 3.676 3.242 4.230 0.060 7 0 "[ . 1 . 2]" 1
329 1 32 CYS HB3 1 33 CYS H 2.640 . 3.480 2.552 2.099 2.906 . 0 0 "[ . 1 . 2]" 1
330 1 33 CYS H 1 33 CYS HB2 2.270 . 2.740 2.517 2.349 2.766 0.026 3 0 "[ . 1 . 2]" 1
331 1 33 CYS H 1 33 CYS HB3 2.225 . 2.650 2.468 2.194 2.615 . 0 0 "[ . 1 . 2]" 1
332 1 33 CYS H 1 34 ALA H 2.300 . 2.800 2.719 2.505 2.839 0.039 2 0 "[ . 1 . 2]" 1
333 1 33 CYS HB2 1 34 ALA H 3.400 . 5.000 3.837 3.518 4.191 . 0 0 "[ . 1 . 2]" 1
334 1 33 CYS HB3 1 34 ALA H 2.425 . 3.050 2.564 2.140 3.072 0.022 18 0 "[ . 1 . 2]" 1
335 1 34 ALA H 1 34 ALA MB 2.740 . 3.680 2.264 2.221 2.339 . 0 0 "[ . 1 . 2]" 1
336 1 34 ALA H 1 35 GLY H 2.315 . 2.830 2.611 2.065 2.906 0.076 12 0 "[ . 1 . 2]" 1
337 1 35 GLY H 1 35 GLY HA2 2.225 . 2.650 2.669 2.303 2.805 0.155 18 0 "[ . 1 . 2]" 1
338 1 35 GLY H 1 35 GLY QA 2.110 . 2.420 2.195 2.163 2.246 . 0 0 "[ . 1 . 2]" 1
339 1 35 GLY H 1 35 GLY HA3 2.225 . 2.650 2.377 2.270 2.772 0.122 14 0 "[ . 1 . 2]" 1
340 1 35 GLY H 1 41 TYR QE 4.715 . 7.630 4.061 2.102 5.526 . 0 0 "[ . 1 . 2]" 1
341 1 35 GLY QA 1 41 TYR QE 4.115 . 6.430 2.558 1.956 3.312 . 0 0 "[ . 1 . 2]" 1
342 1 35 GLY HA2 1 36 THR H 2.350 . 2.900 2.464 2.131 2.916 0.016 1 0 "[ . 1 . 2]" 1
343 1 35 GLY HA3 1 36 THR H 2.350 . 2.900 2.705 2.103 2.963 0.063 6 0 "[ . 1 . 2]" 1
344 1 36 THR H 1 36 THR HA 2.350 . 2.900 2.941 2.903 2.969 0.069 18 0 "[ . 1 . 2]" 1
345 1 36 THR H 1 36 THR HB 2.455 . 3.110 2.977 2.794 3.131 0.021 1 0 "[ . 1 . 2]" 1
346 1 36 THR H 1 37 LYS H 3.170 . 4.540 4.440 4.285 4.549 0.009 12 0 "[ . 1 . 2]" 1
347 1 36 THR H 1 41 TYR QD 4.720 . 7.640 4.828 3.689 6.279 . 0 0 "[ . 1 . 2]" 1
348 1 36 THR H 1 41 TYR QE 4.065 . 6.330 3.005 1.986 4.631 . 0 0 "[ . 1 . 2]" 1
349 1 36 THR HA 1 37 LYS H 2.250 . 2.700 2.518 2.372 2.750 0.050 13 0 "[ . 1 . 2]" 1
350 1 36 THR HA 1 39 CYS H 3.650 . 5.500 5.430 5.112 5.592 0.092 11 0 "[ . 1 . 2]" 1
351 1 36 THR HA 1 54 SER H 2.650 . 3.500 2.064 1.756 3.098 0.044 13 0 "[ . 1 . 2]" 1
352 1 36 THR HB 1 37 LYS H 2.300 . 2.800 2.827 2.493 2.876 0.076 16 0 "[ . 1 . 2]" 1
353 1 36 THR HB 1 54 SER H 3.015 . 4.230 4.337 4.271 4.507 0.277 15 0 "[ . 1 . 2]" 1
354 1 37 LYS H 1 37 LYS QD 4.040 . 6.280 4.017 1.817 4.922 . 0 0 "[ . 1 . 2]" 1
355 1 37 LYS H 1 37 LYS QG 3.470 . 5.140 3.047 1.778 4.046 0.022 17 0 "[ . 1 . 2]" 1
356 1 37 LYS H 1 38 GLY H 3.650 . 5.500 4.563 4.249 4.620 . 0 0 "[ . 1 . 2]" 1
357 1 37 LYS H 1 54 SER H 2.705 . 3.610 2.698 2.095 3.644 0.034 15 0 "[ . 1 . 2]" 1
358 1 37 LYS H 1 54 SER HA 3.295 . 4.790 3.713 1.825 4.845 0.055 6 0 "[ . 1 . 2]" 1
359 1 37 LYS HA 1 37 LYS QD 3.995 . 6.190 3.971 2.374 4.518 . 0 0 "[ . 1 . 2]" 1
360 1 37 LYS HA 1 37 LYS QE 4.090 . 6.380 4.600 3.048 5.558 . 0 0 "[ . 1 . 2]" 1
361 1 37 LYS HA 1 38 GLY H 2.100 . 2.400 2.189 2.094 2.357 . 0 0 "[ . 1 . 2]" 1
362 1 37 LYS HA 1 39 CYS H 3.400 . 5.000 3.513 3.213 4.250 . 0 0 "[ . 1 . 2]" 1
363 1 37 LYS QB 1 38 GLY H 4.055 . 6.310 3.325 2.828 3.600 . 0 0 "[ . 1 . 2]" 1
364 1 37 LYS QB 1 39 CYS H 4.090 . 6.380 4.649 4.341 4.908 . 0 0 "[ . 1 . 2]" 1
365 1 37 LYS QD 1 38 GLY H 4.090 . 6.380 4.454 1.775 5.661 0.025 2 0 "[ . 1 . 2]" 1
366 1 37 LYS QG 1 38 GLY H 4.090 . 6.380 3.383 2.071 4.955 . 0 0 "[ . 1 . 2]" 1
367 1 38 GLY H 1 38 GLY HA2 2.365 . 2.930 2.359 2.304 2.415 . 0 0 "[ . 1 . 2]" 1
368 1 38 GLY H 1 38 GLY HA3 2.365 . 2.930 2.911 2.694 2.973 0.043 8 0 "[ . 1 . 2]" 1
369 1 38 GLY H 1 39 CYS H 2.425 . 3.050 2.933 2.617 3.079 0.029 15 0 "[ . 1 . 2]" 1
370 1 39 CYS H 1 39 CYS HB2 2.270 . 2.740 2.526 2.375 2.659 . 0 0 "[ . 1 . 2]" 1
371 1 39 CYS H 1 39 CYS HB3 2.660 . 3.520 3.565 3.539 3.594 0.074 15 0 "[ . 1 . 2]" 1
372 1 39 CYS HA 1 40 LYS H 2.100 . 2.400 2.328 2.124 2.452 0.052 8 0 "[ . 1 . 2]" 1
373 1 39 CYS HB2 1 40 LYS H 2.720 . 3.640 3.484 3.199 3.729 0.089 7 0 "[ . 1 . 2]" 1
374 1 39 CYS HB2 1 41 TYR QE 4.175 . 6.550 2.553 1.998 3.952 . 0 0 "[ . 1 . 2]" 1
375 1 39 CYS HB3 1 40 LYS H 2.520 . 3.240 2.443 2.077 2.892 . 0 0 "[ . 1 . 2]" 1
376 1 39 CYS HB3 1 41 TYR QD 4.720 . 7.640 3.555 2.469 4.901 . 0 0 "[ . 1 . 2]" 1
377 1 39 CYS HB3 1 41 TYR QE 4.485 . 7.170 2.770 2.043 4.767 . 0 0 "[ . 1 . 2]" 1
378 1 40 LYS H 1 40 LYS QE 4.090 . 6.380 4.824 2.060 5.790 . 0 0 "[ . 1 . 2]" 1
379 1 40 LYS H 1 42 PHE QE 4.710 . 7.620 4.909 4.549 5.135 . 0 0 "[ . 1 . 2]" 1
380 1 40 LYS H 1 51 GLU QB 4.090 . 6.380 5.278 4.401 5.609 . 0 0 "[ . 1 . 2]" 1
381 1 40 LYS HA 1 40 LYS QE 4.090 . 6.380 4.282 3.654 5.036 . 0 0 "[ . 1 . 2]" 1
382 1 40 LYS HA 1 41 TYR H 2.100 . 2.400 2.165 2.072 2.291 . 0 0 "[ . 1 . 2]" 1
383 1 40 LYS HA 1 41 TYR QD 4.270 . 6.740 3.680 3.003 4.873 . 0 0 "[ . 1 . 2]" 1
384 1 40 LYS HA 1 42 PHE QD 3.950 . 6.100 5.331 4.880 5.602 . 0 0 "[ . 1 . 2]" 1
385 1 40 LYS HA 1 48 PHE QD 4.710 . 7.620 4.178 2.807 5.041 . 0 0 "[ . 1 . 2]" 1
386 1 40 LYS HA 1 51 GLU HA 2.240 . 2.680 2.119 1.868 2.606 . 0 0 "[ . 1 . 2]" 1
387 1 40 LYS QB 1 42 PHE QE 4.310 . 6.820 2.463 2.178 2.984 . 0 0 "[ . 1 . 2]" 1
388 1 40 LYS QB 1 42 PHE HZ 3.870 . 5.940 3.164 2.568 4.236 . 0 0 "[ . 1 . 2]" 1
389 1 40 LYS QB 1 48 PHE QD 5.150 . 8.500 3.078 2.193 4.104 . 0 0 "[ . 1 . 2]" 1
390 1 41 TYR H 1 41 TYR HB3 2.625 . 3.450 3.533 3.435 3.583 0.133 15 0 "[ . 1 . 2]" 1
391 1 41 TYR H 1 48 PHE QD 4.710 . 7.620 4.242 3.592 4.826 . 0 0 "[ . 1 . 2]" 1
392 1 41 TYR H 1 50 CYS H 2.580 . 3.360 3.431 3.395 3.498 0.138 3 0 "[ . 1 . 2]" 1
393 1 41 TYR H 1 50 CYS O 1.900 . 2.000 1.899 1.833 2.004 0.004 11 0 "[ . 1 . 2]" 1
394 1 41 TYR H 1 51 GLU HA 2.550 . 3.300 2.636 2.426 2.957 . 0 0 "[ . 1 . 2]" 1
395 1 41 TYR H 1 52 GLY H 2.595 . 3.390 3.138 2.589 3.466 0.076 5 0 "[ . 1 . 2]" 1
396 1 41 TYR HA 1 42 PHE H 2.195 . 2.590 2.089 2.008 2.163 . 0 0 "[ . 1 . 2]" 1
397 1 41 TYR HA 1 42 PHE QD 4.710 . 7.620 3.771 3.543 3.919 . 0 0 "[ . 1 . 2]" 1
398 1 41 TYR HB2 1 42 PHE QD 4.445 . 7.090 5.944 5.806 6.065 . 0 0 "[ . 1 . 2]" 1
399 1 41 TYR HB2 1 50 CYS H 2.920 . 4.040 3.043 2.624 3.475 . 0 0 "[ . 1 . 2]" 1
400 1 41 TYR HB3 1 50 CYS H 3.650 . 5.500 3.868 3.001 4.398 . 0 0 "[ . 1 . 2]" 1
401 1 41 TYR QD 1 42 PHE H 4.425 . 7.050 4.238 3.242 4.551 . 0 0 "[ . 1 . 2]" 1
402 1 41 TYR QD 1 50 CYS H 4.720 . 7.640 4.849 4.486 5.312 . 0 0 "[ . 1 . 2]" 1
403 1 41 TYR QD 1 51 GLU HA 4.255 . 6.710 3.557 2.524 4.597 . 0 0 "[ . 1 . 2]" 1
404 1 41 TYR QD 1 52 GLY H 4.300 . 6.800 2.598 1.888 3.972 . 0 0 "[ . 1 . 2]" 1
405 1 41 TYR QD 1 52 GLY HA2 4.720 . 7.640 3.399 2.286 4.579 . 0 0 "[ . 1 . 2]" 1
406 1 41 TYR QD 1 52 GLY HA3 4.720 . 7.640 3.666 2.789 5.582 . 0 0 "[ . 1 . 2]" 1
407 1 41 TYR QE 1 52 GLY H 4.145 . 6.490 3.927 2.909 5.077 . 0 0 "[ . 1 . 2]" 1
408 1 41 TYR QE 1 52 GLY QA 4.350 . 6.900 2.851 2.052 4.126 . 0 0 "[ . 1 . 2]" 1
409 1 41 TYR N 1 50 CYS O 2.400 . 3.000 2.756 2.658 2.843 . 0 0 "[ . 1 . 2]" 1
410 1 41 TYR O 1 49 VAL H 1.900 . 2.000 2.023 1.925 2.078 0.078 4 0 "[ . 1 . 2]" 1
411 1 41 TYR O 1 49 VAL N 2.400 . 3.000 2.886 2.798 2.943 . 0 0 "[ . 1 . 2]" 1
412 1 41 TYR O 1 50 CYS H 1.900 . 2.000 2.027 1.887 2.102 0.102 7 0 "[ . 1 . 2]" 1
413 1 41 TYR O 1 50 CYS N 2.400 . 3.000 2.955 2.844 3.030 0.030 7 0 "[ . 1 . 2]" 1
414 1 42 PHE H 1 42 PHE HB2 2.650 . 3.500 3.358 3.208 3.473 . 0 0 "[ . 1 . 2]" 1
415 1 42 PHE H 1 42 PHE HB3 2.650 . 3.500 3.611 3.567 3.661 0.161 5 0 "[ . 1 . 2]" 1
416 1 42 PHE HA 1 43 SER H 2.240 . 2.680 2.198 2.154 2.279 . 0 0 "[ . 1 . 2]" 1
417 1 42 PHE HA 1 48 PHE HA 2.470 . 3.140 2.294 2.048 2.579 . 0 0 "[ . 1 . 2]" 1
418 1 42 PHE HA 1 48 PHE QD 4.710 . 7.620 3.856 2.739 4.912 . 0 0 "[ . 1 . 2]" 1
419 1 42 PHE HA 1 49 VAL H 2.285 . 2.770 1.992 1.812 2.088 . 0 0 "[ . 1 . 2]" 1
420 1 42 PHE HB2 1 43 SER H 2.660 . 3.520 2.890 2.607 3.187 . 0 0 "[ . 1 . 2]" 1
421 1 42 PHE HB3 1 43 SER H 2.565 . 3.330 3.031 2.703 3.274 . 0 0 "[ . 1 . 2]" 1
422 1 42 PHE HB3 1 48 PHE HA 3.060 . 4.320 2.010 1.922 2.108 . 0 0 "[ . 1 . 2]" 1
423 1 42 PHE QD 1 48 PHE H 4.370 . 6.940 4.391 3.079 5.321 . 0 0 "[ . 1 . 2]" 1
424 1 42 PHE QD 1 48 PHE HA 3.610 . 5.420 2.901 2.265 3.520 . 0 0 "[ . 1 . 2]" 1
425 1 42 PHE QD 1 48 PHE HB2 4.710 . 7.620 2.928 2.428 3.386 . 0 0 "[ . 1 . 2]" 1
426 1 42 PHE QD 1 49 VAL H 4.325 . 6.850 4.240 3.952 4.509 . 0 0 "[ . 1 . 2]" 1
427 1 42 PHE QD 1 51 GLU HA 4.710 . 7.620 6.815 6.537 6.957 . 0 0 "[ . 1 . 2]" 1
428 1 42 PHE QE 1 48 PHE HA 4.620 . 7.440 5.116 4.455 5.721 . 0 0 "[ . 1 . 2]" 1
429 1 42 PHE QE 1 48 PHE QD 5.370 . 8.940 3.662 3.109 4.085 . 0 0 "[ . 1 . 2]" 1
430 1 42 PHE HZ 1 48 PHE QD 4.710 . 7.620 5.572 5.266 5.796 . 0 0 "[ . 1 . 2]" 1
431 1 43 SER H 1 43 SER HB2 2.535 . 3.270 2.405 2.184 2.781 . 0 0 "[ . 1 . 2]" 1
432 1 43 SER H 1 43 SER HB3 2.535 . 3.270 3.424 2.502 3.496 0.226 10 0 "[ . 1 . 2]" 1
433 1 43 SER H 1 47 THR H 2.795 . 3.790 3.143 2.693 3.805 0.015 10 0 "[ . 1 . 2]" 1
434 1 43 SER H 1 47 THR O 1.900 . 2.000 2.006 1.975 2.028 0.028 2 0 "[ . 1 . 2]" 1
435 1 43 SER H 1 49 VAL H 2.660 . 3.520 3.608 3.564 3.672 0.152 2 0 "[ . 1 . 2]" 1
436 1 43 SER H 1 49 VAL MG2 2.875 . 3.950 2.205 1.930 2.544 . 0 0 "[ . 1 . 2]" 1
437 1 43 SER HA 1 44 ASP H 2.115 . 2.430 2.456 2.388 2.486 0.056 18 0 "[ . 1 . 2]" 1
438 1 43 SER HA 1 45 ASP H 0.000 . 5.000 4.277 3.980 4.543 . 0 0 "[ . 1 . 2]" 1
439 1 43 SER QB 1 49 VAL MG2 4.600 . 7.400 3.079 1.999 3.347 . 0 0 "[ . 1 . 2]" 1
440 1 43 SER HB2 1 44 ASP H 2.470 . 3.140 3.192 3.158 3.339 0.199 3 0 "[ . 1 . 2]" 1
441 1 43 SER HB3 1 44 ASP H 2.470 . 3.140 2.092 1.873 3.184 0.044 3 0 "[ . 1 . 2]" 1
442 1 43 SER N 1 47 THR O 2.400 . 3.000 2.949 2.850 2.997 . 0 0 "[ . 1 . 2]" 1
443 1 44 ASP H 1 44 ASP HB2 2.470 . 3.140 2.272 1.977 2.427 . 0 0 "[ . 1 . 2]" 1
444 1 44 ASP H 1 44 ASP HB3 2.470 . 3.140 3.077 3.028 3.255 0.115 11 0 "[ . 1 . 2]" 1
445 1 44 ASP H 1 45 ASP H 2.610 . 3.420 2.287 2.157 2.530 . 0 0 "[ . 1 . 2]" 1
446 1 44 ASP QB 1 45 ASP H 3.005 . 4.210 2.893 2.470 3.509 . 0 0 "[ . 1 . 2]" 1
447 1 45 ASP H 1 45 ASP QB 2.820 . 3.840 2.420 2.198 2.958 . 0 0 "[ . 1 . 2]" 1
448 1 45 ASP H 1 46 GLY H 2.410 . 3.020 2.605 1.760 2.764 0.040 10 0 "[ . 1 . 2]" 1
449 1 45 ASP HA 1 45 ASP HB2 2.350 . 2.900 2.492 2.426 2.994 0.094 3 0 "[ . 1 . 2]" 1
450 1 46 GLY H 1 46 GLY QA 2.060 . 2.320 2.191 2.183 2.199 . 0 0 "[ . 1 . 2]" 1
451 1 46 GLY H 1 47 THR H 2.195 . 2.590 2.609 2.539 2.634 0.044 10 0 "[ . 1 . 2]" 1
452 1 47 THR H 1 47 THR HA 2.240 . 2.680 2.824 2.288 2.856 0.176 12 0 "[ . 1 . 2]" 1
453 1 47 THR H 1 47 THR HB 2.285 . 2.770 2.840 2.819 2.982 0.212 13 0 "[ . 1 . 2]" 1
454 1 47 THR H 1 47 THR MG 3.340 . 4.880 3.875 2.586 3.985 . 0 0 "[ . 1 . 2]" 1
455 1 47 THR H 1 48 PHE H 3.295 . 4.790 3.948 3.737 4.626 . 0 0 "[ . 1 . 2]" 1
456 1 47 THR HA 1 48 PHE H 2.250 . 2.700 2.132 2.040 2.701 0.001 10 0 "[ . 1 . 2]" 1
457 1 47 THR MG 1 48 PHE H 3.250 . 4.700 3.042 2.478 3.498 . 0 0 "[ . 1 . 2]" 1
458 1 48 PHE H 1 48 PHE HA 2.335 . 2.870 2.810 2.644 2.888 0.018 13 0 "[ . 1 . 2]" 1
459 1 48 PHE H 1 48 PHE HB2 2.285 . 2.770 2.571 2.429 2.775 0.005 5 0 "[ . 1 . 2]" 1
460 1 48 PHE H 1 48 PHE HB3 2.255 . 2.710 2.443 2.268 2.552 . 0 0 "[ . 1 . 2]" 1
461 1 48 PHE H 1 49 VAL H 3.650 . 5.500 4.555 4.366 4.675 . 0 0 "[ . 1 . 2]" 1
462 1 48 PHE HA 1 48 PHE HB2 2.410 . 3.020 2.429 2.375 2.471 . 0 0 "[ . 1 . 2]" 1
463 1 48 PHE HA 1 49 VAL H 2.100 . 2.400 2.121 2.034 2.253 . 0 0 "[ . 1 . 2]" 1
464 1 48 PHE HA 1 49 VAL MG2 4.165 . 6.530 3.480 3.326 3.632 . 0 0 "[ . 1 . 2]" 1
465 1 48 PHE HA 1 50 CYS H 3.400 . 5.000 4.420 3.814 4.955 . 0 0 "[ . 1 . 2]" 1
466 1 48 PHE HB2 1 49 VAL H 3.125 . 4.450 4.126 4.012 4.259 . 0 0 "[ . 1 . 2]" 1
467 1 48 PHE QD 1 49 VAL H 4.200 . 6.600 3.190 2.419 3.776 . 0 0 "[ . 1 . 2]" 1
468 1 48 PHE QD 1 50 CYS H 4.710 . 7.620 4.031 3.553 4.588 . 0 0 "[ . 1 . 2]" 1
469 1 48 PHE QD 1 50 CYS HA 4.710 . 7.620 4.395 3.934 4.770 . 0 0 "[ . 1 . 2]" 1
470 1 48 PHE QE 1 50 CYS HA 3.935 . 6.070 3.010 2.355 3.462 . 0 0 "[ . 1 . 2]" 1
471 1 48 PHE QE 1 51 GLU H 4.060 . 6.320 3.892 3.575 4.200 . 0 0 "[ . 1 . 2]" 1
472 1 48 PHE QE 1 51 GLU QB 5.150 . 8.500 3.274 2.200 4.343 . 0 0 "[ . 1 . 2]" 1
473 1 48 PHE QE 1 51 GLU QG 5.150 . 8.500 3.981 2.554 5.550 . 0 0 "[ . 1 . 2]" 1
474 1 48 PHE HZ 1 50 CYS H 3.650 . 5.500 4.237 3.881 4.691 . 0 0 "[ . 1 . 2]" 1
475 1 48 PHE HZ 1 50 CYS HA 2.395 . 2.990 2.957 2.254 3.050 0.060 2 0 "[ . 1 . 2]" 1
476 1 48 PHE HZ 1 51 GLU HA 3.325 . 4.850 3.292 2.583 4.622 . 0 0 "[ . 1 . 2]" 1
477 1 48 PHE HZ 1 51 GLU QB 3.560 . 5.320 2.720 1.951 3.807 . 0 0 "[ . 1 . 2]" 1
478 1 48 PHE HZ 1 51 GLU QG 3.610 . 5.420 3.500 1.890 4.884 . 0 0 "[ . 1 . 2]" 1
479 1 49 VAL H 1 49 VAL HB 2.240 . 2.680 2.589 2.467 2.649 . 0 0 "[ . 1 . 2]" 1
480 1 49 VAL H 1 49 VAL MG2 3.000 . 4.200 2.444 2.350 2.571 . 0 0 "[ . 1 . 2]" 1
481 1 49 VAL H 1 50 CYS H 2.315 . 2.830 2.524 2.200 2.821 . 0 0 "[ . 1 . 2]" 1
482 1 49 VAL HB 1 50 CYS H 2.160 . 2.520 2.293 1.950 2.549 0.029 2 0 "[ . 1 . 2]" 1
483 1 49 VAL MG1 1 50 CYS H 3.340 . 4.880 3.224 2.757 3.565 . 0 0 "[ . 1 . 2]" 1
484 1 49 VAL MG2 1 50 CYS H 3.495 . 5.190 3.739 3.614 3.890 . 0 0 "[ . 1 . 2]" 1
485 1 50 CYS H 1 51 GLU H 3.325 . 4.850 4.376 4.253 4.458 . 0 0 "[ . 1 . 2]" 1
486 1 50 CYS HA 1 50 CYS HB2 2.270 . 2.740 2.414 2.273 2.870 0.130 2 0 "[ . 1 . 2]" 1
487 1 50 CYS HA 1 50 CYS HB3 2.270 . 2.740 2.724 2.424 2.863 0.123 3 0 "[ . 1 . 2]" 1
488 1 50 CYS HA 1 51 GLU H 2.145 . 2.490 2.438 2.250 2.540 0.050 12 0 "[ . 1 . 2]" 1
489 1 50 CYS QB 1 51 GLU H 2.615 . 3.430 2.563 2.105 2.904 . 0 0 "[ . 1 . 2]" 1
490 1 51 GLU H 1 51 GLU HB2 2.650 . 3.500 3.261 2.920 3.546 0.046 5 0 "[ . 1 . 2]" 1
491 1 51 GLU H 1 51 GLU HB3 2.650 . 3.500 2.869 2.198 3.647 0.147 12 0 "[ . 1 . 2]" 1
492 1 51 GLU H 1 51 GLU HG2 3.650 . 5.500 3.567 1.900 4.784 . 0 0 "[ . 1 . 2]" 1
493 1 51 GLU H 1 51 GLU HG3 3.650 . 5.500 3.620 1.924 4.905 . 0 0 "[ . 1 . 2]" 1
494 1 51 GLU HA 1 52 GLY H 2.145 . 2.490 2.328 2.047 2.524 0.034 8 0 "[ . 1 . 2]" 1
495 1 51 GLU HB2 1 52 GLY H 3.540 . 5.280 4.264 3.685 4.630 . 0 0 "[ . 1 . 2]" 1
496 1 51 GLU HB3 1 52 GLY H 3.540 . 5.280 4.401 3.376 4.583 . 0 0 "[ . 1 . 2]" 1
497 1 51 GLU QG 1 52 GLY H 4.090 . 6.380 3.895 2.564 4.656 . 0 0 "[ . 1 . 2]" 1
498 1 52 GLY H 1 52 GLY HA2 2.300 . 2.800 2.472 2.287 2.838 0.038 14 0 "[ . 1 . 2]" 1
499 1 52 GLY H 1 52 GLY QA 2.185 . 2.570 2.219 2.164 2.248 . 0 0 "[ . 1 . 2]" 1
500 1 52 GLY H 1 52 GLY HA3 2.300 . 2.800 2.648 2.325 2.869 0.069 5 0 "[ . 1 . 2]" 1
501 1 52 GLY H 1 53 GLU H 3.260 . 4.720 4.611 4.426 4.704 . 0 0 "[ . 1 . 2]" 1
502 1 52 GLY QA 1 53 GLU H 2.290 . 2.780 2.198 1.994 2.336 . 0 0 "[ . 1 . 2]" 1
503 1 52 GLY HA2 1 53 GLU H 2.455 . 3.110 2.798 2.307 3.150 0.040 13 0 "[ . 1 . 2]" 1
504 1 52 GLY HA3 1 53 GLU H 2.455 . 3.110 2.405 2.017 2.809 . 0 0 "[ . 1 . 2]" 1
505 1 53 GLU H 1 53 GLU QB 2.815 . 3.830 3.106 2.616 3.494 . 0 0 "[ . 1 . 2]" 1
506 1 53 GLU H 1 53 GLU QG 3.825 . 5.850 3.667 2.119 4.655 . 0 0 "[ . 1 . 2]" 1
507 1 53 GLU H 1 54 SER H 2.130 . 2.460 2.307 1.797 2.588 0.128 14 0 "[ . 1 . 2]" 1
508 1 54 SER H 1 54 SER QB 2.850 . 3.900 2.801 2.324 3.524 . 0 0 "[ . 1 . 2]" 1
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