NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
616277 |
5vnt   |
30289 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5vnt
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 545
_Distance_constraint_stats_list.Viol_count 929
_Distance_constraint_stats_list.Viol_total 1359.836
_Distance_constraint_stats_list.Viol_max 0.413
_Distance_constraint_stats_list.Viol_rms 0.0705
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0250
_Distance_constraint_stats_list.Viol_average_violations_only 0.1464
_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 2 PRO 0.054 0.023 7 0 "[ . 1]"
1 3 ALA 0.054 0.023 7 0 "[ . 1]"
1 4 HIS 1.777 0.092 4 0 "[ . 1]"
1 5 PRO 1.498 0.165 4 0 "[ . 1]"
1 6 TYR 10.306 0.413 3 0 "[ . 1]"
1 7 ASP 2.312 0.165 4 0 "[ . 1]"
1 8 ARG 0.000 0.000 . 0 "[ . 1]"
1 9 LEU 1.373 0.090 6 0 "[ . 1]"
1 10 LYS 2.374 0.245 1 0 "[ . 1]"
1 11 THR 2.722 0.227 8 0 "[ . 1]"
1 12 THR 0.000 0.000 . 0 "[ . 1]"
1 13 SER 0.535 0.126 6 0 "[ . 1]"
1 14 THR 0.000 0.000 . 0 "[ . 1]"
1 15 ASP 0.535 0.126 6 0 "[ . 1]"
1 16 PRO 2.573 0.267 3 0 "[ . 1]"
1 17 VAL 4.988 0.267 3 0 "[ . 1]"
1 18 SER 0.337 0.050 6 0 "[ . 1]"
1 19 ASP 0.000 0.000 . 0 "[ . 1]"
1 20 ILE 3.069 0.343 2 0 "[ . 1]"
1 21 ASP 3.293 0.343 6 0 "[ . 1]"
1 22 VAL 5.211 0.333 3 0 "[ . 1]"
1 23 THR 0.000 0.000 . 0 "[ . 1]"
1 24 ARG 6.089 0.343 6 0 "[ . 1]"
1 25 ARG 5.292 0.307 6 0 "[ . 1]"
1 26 GLU 2.594 0.177 2 0 "[ . 1]"
1 27 ALA 2.799 0.261 2 0 "[ . 1]"
1 28 TYR 12.658 0.343 2 0 "[ . 1]"
1 29 LEU 7.630 0.275 1 0 "[ . 1]"
1 30 SER 1.615 0.201 3 0 "[ . 1]"
1 31 SER 0.000 0.000 . 0 "[ . 1]"
1 32 GLU 0.000 0.000 . 0 "[ . 1]"
1 33 GLU 1.833 0.192 3 0 "[ . 1]"
1 34 PHE 17.069 0.275 1 0 "[ . 1]"
1 35 LYS 4.320 0.245 3 0 "[ . 1]"
1 36 GLU 3.736 0.381 8 0 "[ . 1]"
1 37 LYS 11.319 0.381 8 0 "[ . 1]"
1 38 PHE 14.905 0.385 3 0 "[ . 1]"
1 39 GLY 1.398 0.148 3 0 "[ . 1]"
1 40 MET 3.437 0.240 1 0 "[ . 1]"
1 41 THR 0.589 0.115 10 0 "[ . 1]"
1 42 LYS 1.545 0.247 6 0 "[ . 1]"
1 43 GLU 0.399 0.141 9 0 "[ . 1]"
1 44 ALA 0.322 0.061 1 0 "[ . 1]"
1 45 PHE 4.119 0.240 1 0 "[ . 1]"
1 46 TYR 3.140 0.312 8 0 "[ . 1]"
1 47 LYS 0.000 0.000 . 0 "[ . 1]"
1 49 PRO 5.386 0.272 8 0 "[ . 1]"
1 50 LYS 0.000 0.000 . 0 "[ . 1]"
1 51 TRP 7.617 0.289 1 0 "[ . 1]"
1 52 LYS 1.573 0.154 9 0 "[ . 1]"
1 53 GLN 2.406 0.190 4 0 "[ . 1]"
1 54 ASN 4.025 0.289 1 0 "[ . 1]"
1 55 LYS 4.064 0.299 9 0 "[ . 1]"
1 56 PHE 3.210 0.219 5 0 "[ . 1]"
1 57 LYS 9.020 0.388 2 0 "[ . 1]"
1 58 MET 6.934 0.346 5 0 "[ . 1]"
1 59 ALA 1.150 0.077 9 0 "[ . 1]"
1 60 VAL 23.247 0.388 2 0 "[ . 1]"
1 61 GLN 0.031 0.013 4 0 "[ . 1]"
1 62 LEU 19.871 0.413 3 0 "[ . 1]"
1 63 PHE 7.617 0.245 5 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 PRO HA 1 3 ALA H . . 2.940 2.266 2.167 2.479 . 0 0 "[ . 1]" 1
2 1 2 PRO HA 1 3 ALA MB . . 3.880 3.883 3.864 3.903 0.023 7 0 "[ . 1]" 1
3 1 2 PRO HB3 1 3 ALA H . . 4.020 3.711 3.360 3.922 . 0 0 "[ . 1]" 1
4 1 3 ALA H 1 3 ALA MB . . 3.280 2.344 2.200 2.445 . 0 0 "[ . 1]" 1
5 1 3 ALA HA 1 4 HIS H . . 3.250 2.461 2.386 2.558 . 0 0 "[ . 1]" 1
6 1 3 ALA MB 1 4 HIS H . . 3.540 2.405 2.231 2.559 . 0 0 "[ . 1]" 1
7 1 3 ALA MB 1 30 SER H . . 4.090 3.471 3.146 3.745 . 0 0 "[ . 1]" 1
8 1 3 ALA MB 1 30 SER HA . . 4.810 3.266 2.963 3.605 . 0 0 "[ . 1]" 1
9 1 3 ALA MB 1 30 SER QB . . 5.210 3.928 3.772 4.106 . 0 0 "[ . 1]" 1
10 1 4 HIS H 1 4 HIS HD2 . . 5.220 3.728 3.534 4.079 . 0 0 "[ . 1]" 1
11 1 4 HIS H 1 9 LEU QD . . 4.610 3.653 3.334 3.997 . 0 0 "[ . 1]" 1
12 1 4 HIS H 1 28 TYR QB . . 4.300 3.131 2.879 3.606 . 0 0 "[ . 1]" 1
13 1 4 HIS QB 1 9 LEU MD1 . . 4.110 2.070 1.890 2.239 . 0 0 "[ . 1]" 1
14 1 4 HIS QB 1 9 LEU QD . . 3.450 2.053 1.883 2.209 . 0 0 "[ . 1]" 1
15 1 4 HIS QB 1 9 LEU MD2 . . 4.110 3.504 3.331 3.736 . 0 0 "[ . 1]" 1
16 1 4 HIS QB 1 9 LEU HG . . 4.900 3.835 2.706 4.775 . 0 0 "[ . 1]" 1
17 1 4 HIS QB 1 17 VAL QG . . 3.910 3.984 3.948 4.002 0.092 4 0 "[ . 1]" 1
18 1 4 HIS QB 1 28 TYR QB . . 3.760 3.119 3.004 3.287 . 0 0 "[ . 1]" 1
19 1 4 HIS HD2 1 9 LEU MD1 . . 4.510 3.032 2.344 3.802 . 0 0 "[ . 1]" 1
20 1 4 HIS HD2 1 9 LEU QD . . 3.670 2.832 2.326 3.343 . 0 0 "[ . 1]" 1
21 1 4 HIS HD2 1 9 LEU MD2 . . 4.510 3.916 3.639 4.160 . 0 0 "[ . 1]" 1
22 1 4 HIS HD2 1 9 LEU HG . . 5.150 4.881 4.412 5.175 0.025 3 0 "[ . 1]" 1
23 1 4 HIS HD2 1 17 VAL HA . . 3.670 3.706 3.685 3.721 0.051 3 0 "[ . 1]" 1
24 1 4 HIS HD2 1 17 VAL QG . . 4.150 2.352 2.172 2.478 . 0 0 "[ . 1]" 1
25 1 4 HIS HD2 1 28 TYR HA . . 4.540 4.573 4.563 4.584 0.044 1 0 "[ . 1]" 1
26 1 4 HIS HD2 1 28 TYR QB . . 3.470 2.207 2.132 2.269 . 0 0 "[ . 1]" 1
27 1 4 HIS HD2 1 28 TYR HB3 . . 4.180 2.233 2.162 2.294 . 0 0 "[ . 1]" 1
28 1 4 HIS HD2 1 28 TYR HD1 . . 3.630 2.747 2.624 2.862 . 0 0 "[ . 1]" 1
29 1 4 HIS HD2 1 28 TYR HE1 . . 4.660 4.687 4.671 4.719 0.059 4 0 "[ . 1]" 1
30 1 5 PRO HA 1 6 TYR H . . 3.550 2.301 2.267 2.313 . 0 0 "[ . 1]" 1
31 1 5 PRO HA 1 7 ASP H . . 4.740 4.127 4.061 4.155 . 0 0 "[ . 1]" 1
32 1 5 PRO QB 1 7 ASP H . . 3.400 2.509 2.486 2.543 . 0 0 "[ . 1]" 1
33 1 5 PRO QB 1 8 ARG H . . 4.200 3.036 2.998 3.090 . 0 0 "[ . 1]" 1
34 1 5 PRO HB3 1 7 ASP H . . 4.010 4.160 4.149 4.175 0.165 4 0 "[ . 1]" 1
35 1 5 PRO HB3 1 8 ARG H . . 4.940 4.658 4.613 4.713 . 0 0 "[ . 1]" 1
36 1 6 TYR H 1 6 TYR HB2 . . 3.750 2.598 2.585 2.612 . 0 0 "[ . 1]" 1
37 1 6 TYR H 1 6 TYR HD1 . . 4.720 4.614 4.602 4.624 . 0 0 "[ . 1]" 1
38 1 6 TYR H 1 6 TYR HD2 . . 5.160 4.813 4.805 4.823 . 0 0 "[ . 1]" 1
39 1 6 TYR H 1 7 ASP H . . 4.010 2.573 2.568 2.577 . 0 0 "[ . 1]" 1
40 1 6 TYR H 1 29 LEU QD . . 3.600 2.118 2.081 2.198 . 0 0 "[ . 1]" 1
41 1 6 TYR HA 1 6 TYR HD2 . . 3.490 3.164 3.077 3.238 . 0 0 "[ . 1]" 1
42 1 6 TYR HA 1 9 LEU QB . . 3.690 2.345 2.161 2.462 . 0 0 "[ . 1]" 1
43 1 6 TYR HA 1 9 LEU QD . . 3.540 3.224 2.823 3.514 . 0 0 "[ . 1]" 1
44 1 6 TYR HA 1 29 LEU MD1 . . 3.670 2.389 2.232 2.536 . 0 0 "[ . 1]" 1
45 1 6 TYR HA 1 29 LEU QD . . 3.130 2.311 2.184 2.421 . 0 0 "[ . 1]" 1
46 1 6 TYR HA 1 29 LEU MD2 . . 3.670 3.096 3.027 3.125 . 0 0 "[ . 1]" 1
47 1 6 TYR HB2 1 6 TYR HD2 . . 3.180 2.388 2.366 2.414 . 0 0 "[ . 1]" 1
48 1 6 TYR HB2 1 7 ASP H . . 4.160 4.010 4.000 4.021 . 0 0 "[ . 1]" 1
49 1 6 TYR HB2 1 29 LEU MD1 . . 4.050 1.860 1.856 1.865 . 0 0 "[ . 1]" 1
50 1 6 TYR HB2 1 29 LEU QD . . 3.290 1.771 1.763 1.782 . 0 0 "[ . 1]" 1
51 1 6 TYR HB2 1 29 LEU MD2 . . 4.050 2.225 2.169 2.278 . 0 0 "[ . 1]" 1
52 1 6 TYR HD1 1 7 ASP H . . 3.990 3.530 3.524 3.536 . 0 0 "[ . 1]" 1
53 1 6 TYR HD1 1 7 ASP HA . . 3.920 3.028 2.969 3.109 . 0 0 "[ . 1]" 1
54 1 6 TYR HD2 1 9 LEU QD . . 4.130 4.206 4.174 4.220 0.090 6 0 "[ . 1]" 1
55 1 6 TYR HD2 1 29 LEU QD . . 3.250 1.866 1.847 1.873 . 0 0 "[ . 1]" 1
56 1 6 TYR HD2 1 62 LEU MD1 . . 3.540 1.974 1.965 1.988 . 0 0 "[ . 1]" 1
57 1 6 TYR HD2 1 62 LEU QD . . 2.970 1.926 1.915 1.946 . 0 0 "[ . 1]" 1
58 1 6 TYR HD2 1 62 LEU MD2 . . 3.540 2.685 2.639 2.771 . 0 0 "[ . 1]" 1
59 1 6 TYR HD2 1 62 LEU HG . . 3.720 3.005 2.964 3.083 . 0 0 "[ . 1]" 1
60 1 6 TYR HE1 1 7 ASP HA . . 4.450 4.531 4.512 4.542 0.092 1 0 "[ . 1]" 1
61 1 6 TYR HE2 1 29 LEU QD . . 4.370 3.745 3.691 3.769 . 0 0 "[ . 1]" 1
62 1 6 TYR HE2 1 37 LYS HB2 . . 4.250 4.435 4.407 4.461 0.211 1 0 "[ . 1]" 1
63 1 6 TYR HE2 1 60 VAL HB . . 3.900 3.459 3.441 3.486 . 0 0 "[ . 1]" 1
64 1 6 TYR HE2 1 60 VAL MG1 . . 4.380 4.690 4.676 4.706 0.326 2 0 "[ . 1]" 1
65 1 6 TYR HE2 1 60 VAL MG2 . . 3.740 2.147 2.133 2.186 . 0 0 "[ . 1]" 1
66 1 6 TYR HE2 1 62 LEU HA . . 4.330 4.708 4.686 4.743 0.413 3 0 "[ . 1]" 1
67 1 6 TYR HE2 1 62 LEU MD1 . . 3.470 2.794 2.705 2.832 . 0 0 "[ . 1]" 1
68 1 6 TYR HE2 1 62 LEU QD . . 2.970 2.618 2.558 2.643 . 0 0 "[ . 1]" 1
69 1 6 TYR HE2 1 62 LEU MD2 . . 3.470 3.159 3.145 3.172 . 0 0 "[ . 1]" 1
70 1 6 TYR HE2 1 62 LEU HG . . 4.620 1.968 1.963 1.973 . 0 0 "[ . 1]" 1
71 1 7 ASP H 1 8 ARG H . . 4.130 2.648 2.628 2.666 . 0 0 "[ . 1]" 1
72 1 8 ARG H 1 9 LEU H . . 3.240 2.148 2.098 2.213 . 0 0 "[ . 1]" 1
73 1 8 ARG H 1 9 LEU QB . . 4.330 3.916 3.831 4.069 . 0 0 "[ . 1]" 1
74 1 9 LEU H 1 9 LEU QB . . 3.310 2.194 2.142 2.221 . 0 0 "[ . 1]" 1
75 1 9 LEU H 1 9 LEU MD1 . . 4.680 3.495 3.318 3.641 . 0 0 "[ . 1]" 1
76 1 9 LEU H 1 9 LEU QD . . 3.420 3.358 3.216 3.466 0.046 3 0 "[ . 1]" 1
77 1 9 LEU H 1 9 LEU MD2 . . 4.680 4.350 4.318 4.382 . 0 0 "[ . 1]" 1
78 1 9 LEU HA 1 9 LEU MD1 . . 4.160 3.046 2.496 3.782 . 0 0 "[ . 1]" 1
79 1 9 LEU HA 1 9 LEU QD . . 3.060 2.522 2.461 2.595 . 0 0 "[ . 1]" 1
80 1 9 LEU HA 1 9 LEU MD2 . . 4.160 3.273 2.529 3.784 . 0 0 "[ . 1]" 1
81 1 9 LEU QB 1 10 LYS H . . 3.680 3.335 3.117 3.541 . 0 0 "[ . 1]" 1
82 1 9 LEU HB3 1 10 LYS H . . 4.240 3.471 3.201 3.746 . 0 0 "[ . 1]" 1
83 1 9 LEU QD 1 10 LYS H . . 4.330 3.386 3.014 3.680 . 0 0 "[ . 1]" 1
84 1 9 LEU QD 1 17 VAL QG . . 3.250 3.102 2.860 3.287 0.037 6 0 "[ . 1]" 1
85 1 9 LEU QD 1 25 ARG HA . . 4.150 4.137 4.076 4.183 0.033 9 0 "[ . 1]" 1
86 1 9 LEU QD 1 28 TYR H . . 3.660 3.526 3.457 3.607 . 0 0 "[ . 1]" 1
87 1 9 LEU QD 1 28 TYR QB . . 2.970 2.015 1.954 2.083 . 0 0 "[ . 1]" 1
88 1 9 LEU QD 1 28 TYR HD1 . . 3.360 2.600 2.480 2.762 . 0 0 "[ . 1]" 1
89 1 9 LEU QD 1 28 TYR HE1 . . 4.640 4.297 4.191 4.505 . 0 0 "[ . 1]" 1
90 1 9 LEU QD 1 29 LEU H . . 4.640 3.396 3.283 3.486 . 0 0 "[ . 1]" 1
91 1 9 LEU QD 1 29 LEU QD . . 3.270 2.674 2.489 2.835 . 0 0 "[ . 1]" 1
92 1 9 LEU MD1 1 28 TYR HB3 . . 3.860 2.926 2.745 3.001 . 0 0 "[ . 1]" 1
93 1 9 LEU MD1 1 28 TYR HD1 . . 3.860 3.169 2.618 3.872 0.012 6 0 "[ . 1]" 1
94 1 9 LEU MD2 1 28 TYR HB3 . . 3.860 3.462 3.334 3.593 . 0 0 "[ . 1]" 1
95 1 9 LEU MD2 1 28 TYR HD1 . . 3.860 3.124 2.510 3.516 . 0 0 "[ . 1]" 1
96 1 9 LEU HG 1 10 LYS H . . 4.340 3.470 2.716 4.405 0.065 5 0 "[ . 1]" 1
97 1 10 LYS H 1 10 LYS HB3 . . 4.180 3.087 3.045 3.120 . 0 0 "[ . 1]" 1
98 1 10 LYS H 1 11 THR H . . 5.460 4.448 4.435 4.460 . 0 0 "[ . 1]" 1
99 1 10 LYS H 1 62 LEU QD . . 3.750 3.963 3.942 3.995 0.245 1 0 "[ . 1]" 1
100 1 10 LYS HA 1 11 THR H . . 3.450 2.364 2.273 2.510 . 0 0 "[ . 1]" 1
101 1 10 LYS HA 1 12 THR H . . 5.170 4.359 4.239 4.534 . 0 0 "[ . 1]" 1
102 1 10 LYS QB 1 11 THR H . . 3.880 3.087 2.825 3.275 . 0 0 "[ . 1]" 1
103 1 10 LYS QB 1 12 THR H . . 4.650 2.769 2.727 2.820 . 0 0 "[ . 1]" 1
104 1 10 LYS QB 1 13 SER H . . 4.600 2.610 2.562 2.650 . 0 0 "[ . 1]" 1
105 1 10 LYS HB3 1 11 THR H . . 4.510 3.200 2.903 3.417 . 0 0 "[ . 1]" 1
106 1 11 THR H 1 11 THR MG . . 3.450 3.519 3.495 3.548 0.098 3 0 "[ . 1]" 1
107 1 11 THR H 1 12 THR H . . 4.080 2.766 2.604 2.855 . 0 0 "[ . 1]" 1
108 1 11 THR H 1 61 GLN HB3 . . 4.670 2.957 2.869 3.121 . 0 0 "[ . 1]" 1
109 1 11 THR H 1 62 LEU HA . . 5.500 4.292 4.211 4.406 . 0 0 "[ . 1]" 1
110 1 11 THR H 1 62 LEU QD . . 4.040 4.243 4.228 4.267 0.227 8 0 "[ . 1]" 1
111 1 11 THR HA 1 11 THR MG . . 3.060 2.102 2.028 2.163 . 0 0 "[ . 1]" 1
112 1 11 THR MG 1 62 LEU HA . . 3.870 3.399 3.011 3.669 . 0 0 "[ . 1]" 1
113 1 11 THR MG 1 63 PHE H . . 4.240 2.829 2.371 3.127 . 0 0 "[ . 1]" 1
114 1 12 THR H 1 12 THR MG . . 3.500 3.041 2.802 3.195 . 0 0 "[ . 1]" 1
115 1 12 THR H 1 13 SER H . . 3.670 2.761 2.740 2.793 . 0 0 "[ . 1]" 1
116 1 12 THR HA 1 12 THR MG . . 3.100 2.265 2.162 2.396 . 0 0 "[ . 1]" 1
117 1 12 THR HB 1 13 SER H . . 4.510 4.416 4.392 4.455 . 0 0 "[ . 1]" 1
118 1 13 SER H 1 13 SER QB . . 3.200 2.146 2.115 2.197 . 0 0 "[ . 1]" 1
119 1 13 SER H 1 13 SER HB3 . . 3.680 2.865 2.146 3.429 . 0 0 "[ . 1]" 1
120 1 13 SER HA 1 15 ASP H . . 3.770 3.824 3.787 3.896 0.126 6 0 "[ . 1]" 1
121 1 13 SER QB 1 15 ASP H . . 4.570 2.865 2.259 3.534 . 0 0 "[ . 1]" 1
122 1 14 THR HA 1 14 THR MG . . 3.020 2.178 1.991 2.370 . 0 0 "[ . 1]" 1
123 1 16 PRO HA 1 17 VAL H . . 3.150 2.303 2.272 2.349 . 0 0 "[ . 1]" 1
124 1 16 PRO HB2 1 17 VAL HA . . 3.910 4.167 4.154 4.177 0.267 3 0 "[ . 1]" 1
125 1 17 VAL H 1 17 VAL HB . . 3.680 3.767 3.759 3.773 0.093 7 0 "[ . 1]" 1
126 1 17 VAL H 1 17 VAL MG1 . . 3.480 3.341 3.308 3.359 . 0 0 "[ . 1]" 1
127 1 17 VAL H 1 17 VAL MG2 . . 3.480 2.212 2.207 2.217 . 0 0 "[ . 1]" 1
128 1 17 VAL HA 1 18 SER H . . 3.140 2.505 2.497 2.516 . 0 0 "[ . 1]" 1
129 1 17 VAL HB 1 18 SER H . . 4.130 2.161 2.139 2.174 . 0 0 "[ . 1]" 1
130 1 17 VAL QG 1 18 SER H . . 3.670 3.013 2.992 3.029 . 0 0 "[ . 1]" 1
131 1 17 VAL QG 1 18 SER HA . . 4.250 4.284 4.268 4.300 0.050 6 0 "[ . 1]" 1
132 1 17 VAL QG 1 20 ILE H . . 4.030 3.370 3.277 3.482 . 0 0 "[ . 1]" 1
133 1 17 VAL MG1 1 18 SER H . . 4.410 3.255 3.223 3.285 . 0 0 "[ . 1]" 1
134 1 17 VAL MG1 1 20 ILE H . . 5.020 4.500 4.422 4.589 . 0 0 "[ . 1]" 1
135 1 17 VAL MG2 1 18 SER H . . 4.410 3.555 3.542 3.569 . 0 0 "[ . 1]" 1
136 1 17 VAL MG2 1 20 ILE H . . 5.020 3.482 3.369 3.623 . 0 0 "[ . 1]" 1
137 1 18 SER H 1 18 SER HB3 . . 4.050 3.283 2.881 3.606 . 0 0 "[ . 1]" 1
138 1 18 SER HA 1 19 ASP H . . 3.450 3.127 3.123 3.132 . 0 0 "[ . 1]" 1
139 1 18 SER QB 1 19 ASP H . . 3.710 3.587 3.579 3.591 . 0 0 "[ . 1]" 1
140 1 18 SER HB3 1 19 ASP H . . 4.370 4.066 3.842 4.332 . 0 0 "[ . 1]" 1
141 1 19 ASP H 1 20 ILE H . . 4.030 3.044 2.938 3.161 . 0 0 "[ . 1]" 1
142 1 19 ASP HA 1 20 ILE H . . 3.560 2.375 2.309 2.452 . 0 0 "[ . 1]" 1
143 1 20 ILE HA 1 21 ASP H . . 3.480 2.702 2.686 2.717 . 0 0 "[ . 1]" 1
144 1 20 ILE HA 1 28 TYR HE2 . . 4.090 4.397 4.371 4.433 0.343 2 0 "[ . 1]" 1
145 1 20 ILE HB 1 21 ASP H . . 3.810 1.973 1.940 2.004 . 0 0 "[ . 1]" 1
146 1 20 ILE HB 1 28 TYR HD2 . . 4.920 3.279 3.232 3.342 . 0 0 "[ . 1]" 1
147 1 20 ILE HB 1 28 TYR HE2 . . 3.660 1.940 1.920 1.965 . 0 0 "[ . 1]" 1
148 1 21 ASP H 1 21 ASP QB . . 3.550 2.556 2.350 2.691 . 0 0 "[ . 1]" 1
149 1 21 ASP H 1 21 ASP HB3 . . 4.150 3.589 3.572 3.599 . 0 0 "[ . 1]" 1
150 1 21 ASP H 1 28 TYR HE2 . . 3.780 2.777 2.707 2.846 . 0 0 "[ . 1]" 1
151 1 21 ASP HA 1 22 VAL HB . . 4.600 4.590 4.581 4.605 0.005 2 0 "[ . 1]" 1
152 1 21 ASP HA 1 22 VAL QG . . 4.090 3.763 3.744 3.775 . 0 0 "[ . 1]" 1
153 1 21 ASP HA 1 23 THR H . . 4.220 3.709 3.513 3.789 . 0 0 "[ . 1]" 1
154 1 21 ASP HA 1 24 ARG H . . 3.720 4.049 4.025 4.063 0.343 6 0 "[ . 1]" 1
155 1 21 ASP HA 1 28 TYR HE2 . . 4.440 4.216 4.131 4.313 . 0 0 "[ . 1]" 1
156 1 21 ASP QB 1 24 ARG H . . 3.400 2.646 2.489 2.745 . 0 0 "[ . 1]" 1
157 1 21 ASP QB 1 28 TYR HE2 . . 3.670 2.777 2.696 2.855 . 0 0 "[ . 1]" 1
158 1 22 VAL H 1 22 VAL MG1 . . 3.430 3.614 2.273 3.763 0.333 3 0 "[ . 1]" 1
159 1 22 VAL H 1 22 VAL QG . . 2.800 2.062 2.014 2.254 . 0 0 "[ . 1]" 1
160 1 22 VAL H 1 22 VAL MG2 . . 3.430 2.219 2.022 3.745 0.315 2 0 "[ . 1]" 1
161 1 22 VAL H 1 23 THR H . . 3.770 2.718 2.660 2.762 . 0 0 "[ . 1]" 1
162 1 22 VAL HA 1 22 VAL QG . . 2.940 2.118 2.098 2.236 . 0 0 "[ . 1]" 1
163 1 22 VAL HA 1 25 ARG QB . . 3.550 3.674 3.659 3.689 0.139 9 0 "[ . 1]" 1
164 1 22 VAL HA 1 25 ARG QD . . 3.720 3.786 3.747 3.812 0.092 5 0 "[ . 1]" 1
165 1 22 VAL QG 1 23 THR H . . 3.940 3.059 1.988 3.198 . 0 0 "[ . 1]" 1
166 1 23 THR H 1 23 THR MG . . 3.470 2.855 2.169 3.396 . 0 0 "[ . 1]" 1
167 1 23 THR H 1 24 ARG H . . 3.190 2.587 2.478 2.606 . 0 0 "[ . 1]" 1
168 1 23 THR HA 1 23 THR MG . . 3.650 2.221 1.967 3.190 . 0 0 "[ . 1]" 1
169 1 24 ARG H 1 24 ARG HB2 . . 3.440 2.638 2.526 2.752 . 0 0 "[ . 1]" 1
170 1 24 ARG H 1 25 ARG H . . 4.160 2.909 2.865 2.931 . 0 0 "[ . 1]" 1
171 1 24 ARG H 1 28 TYR HE2 . . 4.170 4.441 4.409 4.466 0.296 10 0 "[ . 1]" 1
172 1 24 ARG HA 1 25 ARG QB . . 4.440 4.447 4.424 4.481 0.041 3 0 "[ . 1]" 1
173 1 24 ARG HA 1 26 GLU H . . 5.500 3.397 3.343 3.412 . 0 0 "[ . 1]" 1
174 1 24 ARG HA 1 27 ALA MB . . 4.160 3.989 3.943 4.073 . 0 0 "[ . 1]" 1
175 1 24 ARG HB2 1 27 ALA MB . . 4.060 2.999 2.821 3.177 . 0 0 "[ . 1]" 1
176 1 25 ARG H 1 25 ARG QB . . 3.320 2.249 2.245 2.250 . 0 0 "[ . 1]" 1
177 1 25 ARG H 1 25 ARG QD . . 4.180 4.222 4.193 4.266 0.086 3 0 "[ . 1]" 1
178 1 25 ARG H 1 26 GLU H . . 4.490 2.808 2.799 2.813 . 0 0 "[ . 1]" 1
179 1 25 ARG HA 1 25 ARG QD . . 4.480 2.963 2.891 3.059 . 0 0 "[ . 1]" 1
180 1 25 ARG HA 1 28 TYR H . . 4.240 3.510 3.444 3.552 . 0 0 "[ . 1]" 1
181 1 25 ARG HA 1 28 TYR HD1 . . 3.620 3.454 3.432 3.482 . 0 0 "[ . 1]" 1
182 1 25 ARG HA 1 28 TYR HD2 . . 3.880 3.671 3.590 3.700 . 0 0 "[ . 1]" 1
183 1 25 ARG HA 1 28 TYR HE1 . . 4.240 3.175 3.164 3.209 . 0 0 "[ . 1]" 1
184 1 25 ARG HA 1 28 TYR HE2 . . 4.530 3.412 3.371 3.436 . 0 0 "[ . 1]" 1
185 1 25 ARG QB 1 28 TYR HD1 . . 3.990 4.269 4.207 4.297 0.307 6 0 "[ . 1]" 1
186 1 25 ARG QB 1 28 TYR HE1 . . 4.060 3.543 3.495 3.572 . 0 0 "[ . 1]" 1
187 1 26 GLU H 1 26 GLU QB . . 3.160 2.403 2.344 2.629 . 0 0 "[ . 1]" 1
188 1 26 GLU H 1 27 ALA H . . 3.470 2.700 2.696 2.705 . 0 0 "[ . 1]" 1
189 1 26 GLU HA 1 38 PHE HE2 . . 4.460 4.047 4.009 4.089 . 0 0 "[ . 1]" 1
190 1 26 GLU HA 1 38 PHE HZ . . 5.430 4.032 3.975 4.071 . 0 0 "[ . 1]" 1
191 1 26 GLU HA 1 62 LEU QD . . 3.380 2.447 2.413 2.522 . 0 0 "[ . 1]" 1
192 1 26 GLU QB 1 28 TYR H . . 5.340 4.708 4.682 4.732 . 0 0 "[ . 1]" 1
193 1 26 GLU QB 1 38 PHE HZ . . 3.700 1.999 1.935 2.220 . 0 0 "[ . 1]" 1
194 1 26 GLU QB 1 60 VAL MG2 . . 3.670 3.699 3.658 3.847 0.177 2 0 "[ . 1]" 1
195 1 26 GLU QB 1 62 LEU HA . . 4.020 4.115 4.088 4.139 0.119 6 0 "[ . 1]" 1
196 1 26 GLU QB 1 62 LEU QD . . 2.740 2.547 2.474 2.755 0.015 3 0 "[ . 1]" 1
197 1 26 GLU HB3 1 38 PHE HE2 . . 3.820 3.948 3.846 3.984 0.164 9 0 "[ . 1]" 1
198 1 26 GLU HB3 1 62 LEU MD1 . . 4.900 3.686 3.551 3.743 . 0 0 "[ . 1]" 1
199 1 26 GLU HB3 1 62 LEU MD2 . . 4.900 4.092 3.930 4.153 . 0 0 "[ . 1]" 1
200 1 27 ALA H 1 27 ALA MB . . 3.030 2.236 2.224 2.245 . 0 0 "[ . 1]" 1
201 1 27 ALA H 1 28 TYR H . . 3.320 2.560 2.531 2.573 . 0 0 "[ . 1]" 1
202 1 27 ALA H 1 28 TYR HD2 . . 4.240 4.238 4.189 4.254 0.014 6 0 "[ . 1]" 1
203 1 27 ALA HA 1 29 LEU H . . 3.780 3.312 3.304 3.321 . 0 0 "[ . 1]" 1
204 1 27 ALA HA 1 34 PHE HB2 . . 3.680 3.875 3.842 3.941 0.261 2 0 "[ . 1]" 1
205 1 27 ALA HA 1 34 PHE HB3 . . 5.320 4.886 4.829 4.974 . 0 0 "[ . 1]" 1
206 1 27 ALA HA 1 34 PHE HD2 . . 4.120 2.879 2.807 2.974 . 0 0 "[ . 1]" 1
207 1 27 ALA HA 1 34 PHE HE2 . . 4.550 3.405 3.323 3.553 . 0 0 "[ . 1]" 1
208 1 27 ALA MB 1 28 TYR H . . 4.040 3.078 3.059 3.097 . 0 0 "[ . 1]" 1
209 1 27 ALA MB 1 28 TYR HA . . 4.800 3.926 3.912 3.934 . 0 0 "[ . 1]" 1
210 1 27 ALA MB 1 28 TYR HD2 . . 3.670 3.145 3.123 3.175 . 0 0 "[ . 1]" 1
211 1 27 ALA MB 1 28 TYR HE2 . . 3.840 3.919 3.896 3.971 0.131 3 0 "[ . 1]" 1
212 1 28 TYR H 1 28 TYR QB . . 3.450 2.416 2.410 2.423 . 0 0 "[ . 1]" 1
213 1 28 TYR H 1 28 TYR HB3 . . 4.130 3.586 3.585 3.587 . 0 0 "[ . 1]" 1
214 1 28 TYR H 1 28 TYR HD2 . . 3.400 2.623 2.586 2.652 . 0 0 "[ . 1]" 1
215 1 28 TYR H 1 29 LEU H . . 3.820 2.651 2.638 2.668 . 0 0 "[ . 1]" 1
216 1 28 TYR H 1 29 LEU HG . . 5.500 5.648 5.608 5.667 0.167 9 0 "[ . 1]" 1
217 1 28 TYR HA 1 28 TYR HD2 . . 3.480 1.994 1.988 1.999 . 0 0 "[ . 1]" 1
218 1 28 TYR HA 1 29 LEU H . . 3.260 3.376 3.371 3.383 0.123 3 0 "[ . 1]" 1
219 1 28 TYR QB 1 28 TYR HD1 . . 3.020 2.420 2.419 2.421 . 0 0 "[ . 1]" 1
220 1 28 TYR QB 1 29 LEU H . . 4.470 3.149 3.133 3.162 . 0 0 "[ . 1]" 1
221 1 28 TYR HB3 1 28 TYR HD1 . . 3.510 2.776 2.761 2.781 . 0 0 "[ . 1]" 1
222 1 28 TYR HD2 1 29 LEU H . . 4.860 4.528 4.524 4.537 . 0 0 "[ . 1]" 1
223 1 29 LEU H 1 29 LEU QB . . 2.750 2.093 2.091 2.096 . 0 0 "[ . 1]" 1
224 1 29 LEU H 1 29 LEU HB3 . . 3.370 3.291 3.275 3.316 . 0 0 "[ . 1]" 1
225 1 29 LEU H 1 29 LEU QD . . 3.730 3.653 3.634 3.661 . 0 0 "[ . 1]" 1
226 1 29 LEU H 1 29 LEU HG . . 3.610 3.674 3.627 3.704 0.094 6 0 "[ . 1]" 1
227 1 29 LEU H 1 62 LEU QD . . 4.120 4.013 3.988 4.041 . 0 0 "[ . 1]" 1
228 1 29 LEU HA 1 29 LEU QD . . 3.580 2.317 2.300 2.339 . 0 0 "[ . 1]" 1
229 1 29 LEU HA 1 30 SER H . . 3.480 2.373 2.334 2.397 . 0 0 "[ . 1]" 1
230 1 29 LEU QB 1 30 SER H . . 4.290 2.723 2.657 2.813 . 0 0 "[ . 1]" 1
231 1 29 LEU QB 1 33 GLU QB . . 4.360 2.909 2.720 2.964 . 0 0 "[ . 1]" 1
232 1 29 LEU QB 1 34 PHE H . . 4.100 2.485 2.473 2.501 . 0 0 "[ . 1]" 1
233 1 29 LEU QB 1 34 PHE HB3 . . 3.990 3.250 3.204 3.294 . 0 0 "[ . 1]" 1
234 1 29 LEU QB 1 34 PHE HD2 . . 3.160 3.170 3.149 3.190 0.030 2 0 "[ . 1]" 1
235 1 29 LEU HB3 1 34 PHE HB3 . . 4.600 3.359 3.306 3.408 . 0 0 "[ . 1]" 1
236 1 29 LEU HB3 1 34 PHE HD2 . . 3.760 4.010 3.979 4.035 0.275 1 0 "[ . 1]" 1
237 1 29 LEU QD 1 30 SER H . . 3.980 1.872 1.859 1.886 . 0 0 "[ . 1]" 1
238 1 29 LEU QD 1 30 SER HA . . 4.130 4.291 4.267 4.331 0.201 3 0 "[ . 1]" 1
239 1 29 LEU QD 1 30 SER QB . . 4.390 3.221 3.003 3.687 . 0 0 "[ . 1]" 1
240 1 29 LEU QD 1 34 PHE HD2 . . 3.890 3.809 3.760 3.847 . 0 0 "[ . 1]" 1
241 1 29 LEU HG 1 62 LEU QD . . 3.190 3.195 3.160 3.228 0.038 6 0 "[ . 1]" 1
242 1 30 SER H 1 30 SER QB . . 3.550 2.362 2.060 2.890 . 0 0 "[ . 1]" 1
243 1 30 SER H 1 33 GLU H . . 4.750 4.039 3.982 4.091 . 0 0 "[ . 1]" 1
244 1 30 SER H 1 33 GLU QB . . 5.340 2.764 2.695 2.823 . 0 0 "[ . 1]" 1
245 1 30 SER HA 1 31 SER HA . . 4.370 4.296 4.295 4.297 . 0 0 "[ . 1]" 1
246 1 30 SER HA 1 32 GLU H . . 4.820 4.024 4.000 4.058 . 0 0 "[ . 1]" 1
247 1 30 SER QB 1 31 SER H . . 4.030 2.796 2.653 2.982 . 0 0 "[ . 1]" 1
248 1 30 SER QB 1 32 GLU H . . 3.670 2.368 2.264 2.576 . 0 0 "[ . 1]" 1
249 1 30 SER QB 1 32 GLU QG . . 3.590 3.123 2.981 3.277 . 0 0 "[ . 1]" 1
250 1 30 SER QB 1 33 GLU H . . 4.320 2.522 2.332 2.650 . 0 0 "[ . 1]" 1
251 1 30 SER QB 1 34 PHE H . . 3.930 3.775 3.724 3.862 . 0 0 "[ . 1]" 1
252 1 31 SER H 1 32 GLU H . . 4.240 2.757 2.742 2.764 . 0 0 "[ . 1]" 1
253 1 31 SER HA 1 32 GLU QG . . 4.940 4.919 4.887 4.936 . 0 0 "[ . 1]" 1
254 1 32 GLU H 1 32 GLU HB2 . . 3.560 2.625 2.594 2.653 . 0 0 "[ . 1]" 1
255 1 32 GLU H 1 32 GLU HG3 . . 4.300 2.179 2.022 2.637 . 0 0 "[ . 1]" 1
256 1 32 GLU H 1 33 GLU H . . 3.670 2.671 2.660 2.679 . 0 0 "[ . 1]" 1
257 1 32 GLU HA 1 32 GLU QG . . 3.240 2.525 2.500 2.571 . 0 0 "[ . 1]" 1
258 1 32 GLU HA 1 32 GLU HG3 . . 3.940 3.357 3.141 3.687 . 0 0 "[ . 1]" 1
259 1 32 GLU HB2 1 33 GLU H . . 3.230 2.178 2.169 2.195 . 0 0 "[ . 1]" 1
260 1 32 GLU HB2 1 34 PHE H . . 4.930 4.874 4.861 4.905 . 0 0 "[ . 1]" 1
261 1 33 GLU H 1 33 GLU QB . . 3.210 2.204 2.138 2.525 . 0 0 "[ . 1]" 1
262 1 33 GLU H 1 34 PHE H . . 3.540 2.797 2.788 2.809 . 0 0 "[ . 1]" 1
263 1 33 GLU HA 1 36 GLU H . . 3.640 3.370 3.363 3.383 . 0 0 "[ . 1]" 1
264 1 33 GLU HA 1 37 LYS H . . 4.070 4.253 4.242 4.262 0.192 3 0 "[ . 1]" 1
265 1 33 GLU QB 1 34 PHE H . . 3.810 2.438 2.276 2.477 . 0 0 "[ . 1]" 1
266 1 34 PHE H 1 34 PHE HB2 . . 3.640 2.718 2.706 2.725 . 0 0 "[ . 1]" 1
267 1 34 PHE H 1 34 PHE HB3 . . 3.570 2.365 2.360 2.375 . 0 0 "[ . 1]" 1
268 1 34 PHE H 1 34 PHE HD1 . . 4.180 4.430 4.421 4.444 0.264 10 0 "[ . 1]" 1
269 1 34 PHE H 1 34 PHE HD2 . . 4.660 4.919 4.910 4.924 0.264 6 0 "[ . 1]" 1
270 1 34 PHE H 1 35 LYS H . . 3.970 2.976 2.972 2.981 . 0 0 "[ . 1]" 1
271 1 34 PHE H 1 62 LEU QD . . 4.760 4.970 4.952 5.003 0.243 3 0 "[ . 1]" 1
272 1 34 PHE HA 1 34 PHE HD2 . . 3.750 3.172 3.153 3.187 . 0 0 "[ . 1]" 1
273 1 34 PHE HA 1 37 LYS H . . 5.500 3.586 3.574 3.591 . 0 0 "[ . 1]" 1
274 1 34 PHE HA 1 38 PHE HD2 . . 3.590 3.265 3.223 3.296 . 0 0 "[ . 1]" 1
275 1 34 PHE HA 1 38 PHE HE2 . . 4.550 3.478 3.433 3.510 . 0 0 "[ . 1]" 1
276 1 34 PHE HA 1 62 LEU QD . . 3.040 3.221 3.201 3.247 0.207 3 0 "[ . 1]" 1
277 1 34 PHE HB2 1 34 PHE HD2 . . 3.430 2.385 2.378 2.393 . 0 0 "[ . 1]" 1
278 1 34 PHE HB2 1 35 LYS H . . 4.030 3.834 3.824 3.843 . 0 0 "[ . 1]" 1
279 1 34 PHE HB3 1 34 PHE HD1 . . 3.410 2.450 2.441 2.457 . 0 0 "[ . 1]" 1
280 1 34 PHE HB3 1 35 LYS H . . 4.910 2.416 2.400 2.430 . 0 0 "[ . 1]" 1
281 1 34 PHE HB3 1 62 LEU QD . . 5.310 5.227 5.209 5.248 . 0 0 "[ . 1]" 1
282 1 34 PHE HD1 1 35 LYS H . . 4.690 2.368 2.360 2.379 . 0 0 "[ . 1]" 1
283 1 34 PHE HD1 1 35 LYS HA . . 3.860 2.861 2.817 2.902 . 0 0 "[ . 1]" 1
284 1 34 PHE HD1 1 35 LYS HB2 . . 3.940 3.748 3.727 3.765 . 0 0 "[ . 1]" 1
285 1 34 PHE HD1 1 36 GLU H . . 5.370 4.681 4.660 4.700 . 0 0 "[ . 1]" 1
286 1 34 PHE HD1 1 38 PHE HD2 . . 4.770 3.842 3.774 3.898 . 0 0 "[ . 1]" 1
287 1 34 PHE HD1 1 42 LYS H . . 4.590 4.092 3.657 4.514 . 0 0 "[ . 1]" 1
288 1 34 PHE HD2 1 38 PHE HD2 . . 4.920 3.199 3.153 3.232 . 0 0 "[ . 1]" 1
289 1 34 PHE HD2 1 38 PHE HE2 . . 4.520 2.189 2.163 2.211 . 0 0 "[ . 1]" 1
290 1 34 PHE HD2 1 62 LEU QD . . 3.390 3.342 3.313 3.363 . 0 0 "[ . 1]" 1
291 1 34 PHE HE1 1 35 LYS HA . . 4.460 3.631 3.619 3.649 . 0 0 "[ . 1]" 1
292 1 34 PHE HE1 1 35 LYS HB2 . . 4.440 4.468 4.448 4.495 0.055 10 0 "[ . 1]" 1
293 1 34 PHE HE1 1 38 PHE HD2 . . 4.910 4.038 3.979 4.082 . 0 0 "[ . 1]" 1
294 1 34 PHE HE1 1 40 MET HB2 . . 3.850 4.006 3.940 4.078 0.228 10 0 "[ . 1]" 1
295 1 34 PHE HE1 1 42 LYS HA . . 4.240 2.677 2.314 2.946 . 0 0 "[ . 1]" 1
296 1 34 PHE HE1 1 45 PHE H . . 4.380 3.710 3.622 3.815 . 0 0 "[ . 1]" 1
297 1 34 PHE HE1 1 45 PHE HB2 . . 3.680 2.487 2.334 2.612 . 0 0 "[ . 1]" 1
298 1 34 PHE HE1 1 45 PHE HB3 . . 3.710 2.773 2.721 2.855 . 0 0 "[ . 1]" 1
299 1 34 PHE HE2 1 38 PHE HD2 . . 5.090 3.429 3.382 3.483 . 0 0 "[ . 1]" 1
300 1 34 PHE HE2 1 38 PHE HE2 . . 4.470 2.807 2.769 2.838 . 0 0 "[ . 1]" 1
301 1 34 PHE HE2 1 62 LEU QD . . 4.410 4.451 4.431 4.475 0.065 1 0 "[ . 1]" 1
302 1 34 PHE HZ 1 42 LYS HA . . 4.400 3.739 3.507 3.950 . 0 0 "[ . 1]" 1
303 1 34 PHE HZ 1 45 PHE H . . 4.540 4.665 4.630 4.711 0.171 1 0 "[ . 1]" 1
304 1 34 PHE HZ 1 45 PHE HB2 . . 4.060 2.914 2.840 3.005 . 0 0 "[ . 1]" 1
305 1 34 PHE HZ 1 45 PHE HB3 . . 3.960 2.294 2.253 2.392 . 0 0 "[ . 1]" 1
306 1 34 PHE HZ 1 46 TYR H . . 5.500 4.376 4.170 4.762 . 0 0 "[ . 1]" 1
307 1 35 LYS H 1 35 LYS HB2 . . 3.290 3.530 3.526 3.535 0.245 3 0 "[ . 1]" 1
308 1 35 LYS H 1 36 GLU H . . 3.560 2.567 2.562 2.571 . 0 0 "[ . 1]" 1
309 1 35 LYS HA 1 38 PHE H . . 4.890 3.247 3.243 3.254 . 0 0 "[ . 1]" 1
310 1 35 LYS HA 1 38 PHE HD2 . . 4.910 3.692 3.674 3.723 . 0 0 "[ . 1]" 1
311 1 35 LYS HA 1 39 GLY H . . 4.080 3.257 3.077 3.425 . 0 0 "[ . 1]" 1
312 1 35 LYS HA 1 40 MET H . . 3.460 2.774 2.631 2.938 . 0 0 "[ . 1]" 1
313 1 35 LYS HB2 1 38 PHE H . . 5.140 5.304 5.297 5.317 0.177 4 0 "[ . 1]" 1
314 1 35 LYS HB2 1 39 GLY H . . 5.170 4.593 4.422 4.737 . 0 0 "[ . 1]" 1
315 1 35 LYS HB2 1 40 MET H . . 3.960 3.710 3.554 3.860 . 0 0 "[ . 1]" 1
316 1 35 LYS HB2 1 41 THR H . . 4.550 3.397 3.022 3.536 . 0 0 "[ . 1]" 1
317 1 36 GLU H 1 36 GLU QB . . 2.940 2.193 2.147 2.239 . 0 0 "[ . 1]" 1
318 1 36 GLU H 1 36 GLU QG . . 4.060 3.485 2.995 3.977 . 0 0 "[ . 1]" 1
319 1 36 GLU H 1 37 LYS H . . 3.770 2.439 2.434 2.445 . 0 0 "[ . 1]" 1
320 1 36 GLU H 1 37 LYS HB2 . . 3.950 4.324 4.316 4.331 0.381 8 0 "[ . 1]" 1
321 1 36 GLU HA 1 36 GLU QG . . 3.500 2.515 2.180 3.123 . 0 0 "[ . 1]" 1
322 1 36 GLU QB 1 37 LYS H . . 3.400 2.945 2.926 2.963 . 0 0 "[ . 1]" 1
323 1 36 GLU QB 1 38 PHE H . . 4.880 4.788 4.748 4.829 . 0 0 "[ . 1]" 1
324 1 36 GLU QG 1 37 LYS H . . 4.980 4.122 3.737 4.501 . 0 0 "[ . 1]" 1
325 1 37 LYS H 1 37 LYS HB2 . . 3.220 2.194 2.188 2.199 . 0 0 "[ . 1]" 1
326 1 37 LYS H 1 38 PHE H . . 3.610 2.221 2.210 2.233 . 0 0 "[ . 1]" 1
327 1 37 LYS H 1 38 PHE HB2 . . 5.500 4.461 4.442 4.486 . 0 0 "[ . 1]" 1
328 1 37 LYS H 1 38 PHE HD2 . . 4.700 4.342 4.318 4.351 . 0 0 "[ . 1]" 1
329 1 37 LYS HA 1 60 VAL MG1 . . 4.430 3.880 3.858 3.906 . 0 0 "[ . 1]" 1
330 1 37 LYS HB2 1 38 PHE H . . 4.020 3.095 3.089 3.103 . 0 0 "[ . 1]" 1
331 1 37 LYS HB2 1 38 PHE HD2 . . 3.980 4.162 4.137 4.175 0.195 10 0 "[ . 1]" 1
332 1 37 LYS HB2 1 39 GLY H . . 4.850 4.956 4.930 4.998 0.148 3 0 "[ . 1]" 1
333 1 37 LYS HB2 1 60 VAL MG1 . . 3.890 3.992 3.964 4.023 0.133 7 0 "[ . 1]" 1
334 1 38 PHE H 1 38 PHE HB2 . . 3.700 2.466 2.452 2.480 . 0 0 "[ . 1]" 1
335 1 38 PHE H 1 38 PHE HB3 . . 3.640 3.662 3.656 3.668 0.028 8 0 "[ . 1]" 1
336 1 38 PHE H 1 38 PHE HD2 . . 3.740 3.137 3.119 3.149 . 0 0 "[ . 1]" 1
337 1 38 PHE H 1 39 GLY H . . 3.430 2.133 2.112 2.152 . 0 0 "[ . 1]" 1
338 1 38 PHE H 1 40 MET H . . 3.940 3.701 3.600 3.802 . 0 0 "[ . 1]" 1
339 1 38 PHE HA 1 38 PHE HD1 . . 3.580 2.468 2.461 2.481 . 0 0 "[ . 1]" 1
340 1 38 PHE HB2 1 38 PHE HD2 . . 3.330 2.292 2.291 2.293 . 0 0 "[ . 1]" 1
341 1 38 PHE HB2 1 39 GLY H . . 4.480 3.206 3.054 3.327 . 0 0 "[ . 1]" 1
342 1 38 PHE HB2 1 40 MET H . . 3.580 2.644 2.629 2.661 . 0 0 "[ . 1]" 1
343 1 38 PHE HB3 1 38 PHE HD1 . . 3.480 2.647 2.638 2.650 . 0 0 "[ . 1]" 1
344 1 38 PHE HB3 1 39 GLY H . . 5.250 4.061 3.949 4.146 . 0 0 "[ . 1]" 1
345 1 38 PHE HB3 1 40 MET H . . 4.020 3.216 3.116 3.350 . 0 0 "[ . 1]" 1
346 1 38 PHE HB3 1 56 PHE HB3 . . 3.720 3.918 3.900 3.939 0.219 5 0 "[ . 1]" 1
347 1 38 PHE HD1 1 56 PHE HB3 . . 3.420 2.555 2.480 2.600 . 0 0 "[ . 1]" 1
348 1 38 PHE HD1 1 56 PHE HD1 . . 4.260 2.672 2.645 2.708 . 0 0 "[ . 1]" 1
349 1 38 PHE HD1 1 57 LYS HA . . 4.830 4.053 4.033 4.074 . 0 0 "[ . 1]" 1
350 1 38 PHE HD1 1 60 VAL H . . 3.880 4.254 4.242 4.265 0.385 3 0 "[ . 1]" 1
351 1 38 PHE HD1 1 60 VAL MG1 . . 4.450 2.187 2.178 2.196 . 0 0 "[ . 1]" 1
352 1 38 PHE HD1 1 60 VAL MG2 . . 4.340 3.475 3.464 3.481 . 0 0 "[ . 1]" 1
353 1 38 PHE HD2 1 39 GLY H . . 4.810 4.818 4.696 4.909 0.099 1 0 "[ . 1]" 1
354 1 38 PHE HD2 1 60 VAL MG2 . . 4.910 4.052 4.015 4.087 . 0 0 "[ . 1]" 1
355 1 38 PHE HD2 1 62 LEU QD . . 3.650 3.826 3.808 3.848 0.198 1 0 "[ . 1]" 1
356 1 38 PHE HE1 1 56 PHE HB3 . . 3.320 3.288 3.245 3.328 0.008 9 0 "[ . 1]" 1
357 1 38 PHE HE1 1 56 PHE HD1 . . 5.280 3.925 3.902 3.973 . 0 0 "[ . 1]" 1
358 1 38 PHE HE1 1 57 LYS H . . 5.470 3.623 3.596 3.646 . 0 0 "[ . 1]" 1
359 1 38 PHE HE1 1 57 LYS HA . . 3.850 1.872 1.859 1.882 . 0 0 "[ . 1]" 1
360 1 38 PHE HE1 1 60 VAL H . . 3.670 3.005 2.973 3.065 . 0 0 "[ . 1]" 1
361 1 38 PHE HE1 1 60 VAL MG2 . . 3.790 2.375 2.347 2.395 . 0 0 "[ . 1]" 1
362 1 38 PHE HE1 1 62 LEU HB2 . . 5.370 3.326 3.307 3.338 . 0 0 "[ . 1]" 1
363 1 38 PHE HE2 1 62 LEU HB2 . . 5.500 3.813 3.775 3.853 . 0 0 "[ . 1]" 1
364 1 38 PHE HE2 1 62 LEU QD . . 3.100 2.215 2.196 2.231 . 0 0 "[ . 1]" 1
365 1 38 PHE HZ 1 57 LYS HA . . 4.220 2.452 2.414 2.531 . 0 0 "[ . 1]" 1
366 1 38 PHE HZ 1 57 LYS QB . . 4.370 4.198 4.161 4.299 . 0 0 "[ . 1]" 1
367 1 38 PHE HZ 1 60 VAL H . . 4.490 4.699 4.680 4.740 0.250 3 0 "[ . 1]" 1
368 1 38 PHE HZ 1 60 VAL MG2 . . 3.960 2.474 2.465 2.486 . 0 0 "[ . 1]" 1
369 1 38 PHE HZ 1 62 LEU HB2 . . 4.890 1.963 1.939 1.982 . 0 0 "[ . 1]" 1
370 1 38 PHE HZ 1 62 LEU QD . . 3.310 2.424 2.386 2.449 . 0 0 "[ . 1]" 1
371 1 39 GLY H 1 40 MET H . . 3.520 2.627 2.582 2.641 . 0 0 "[ . 1]" 1
372 1 40 MET H 1 40 MET HB2 . . 3.970 2.896 2.757 3.000 . 0 0 "[ . 1]" 1
373 1 40 MET H 1 41 THR H . . 5.350 4.397 4.357 4.453 . 0 0 "[ . 1]" 1
374 1 40 MET H 1 45 PHE HB2 . . 3.980 4.168 4.123 4.220 0.240 1 0 "[ . 1]" 1
375 1 40 MET HA 1 41 THR H . . 3.150 2.209 2.202 2.215 . 0 0 "[ . 1]" 1
376 1 40 MET HA 1 44 ALA MB . . 3.940 3.100 2.944 3.370 . 0 0 "[ . 1]" 1
377 1 40 MET HB2 1 41 THR H . . 3.920 3.797 3.721 3.884 . 0 0 "[ . 1]" 1
378 1 40 MET HB2 1 45 PHE HB2 . . 4.420 2.094 1.991 2.306 . 0 0 "[ . 1]" 1
379 1 41 THR H 1 44 ALA H . . 4.650 3.952 3.789 4.181 . 0 0 "[ . 1]" 1
380 1 41 THR H 1 44 ALA MB . . 3.280 2.052 1.972 2.275 . 0 0 "[ . 1]" 1
381 1 41 THR H 1 45 PHE HB2 . . 4.450 4.509 4.490 4.565 0.115 10 0 "[ . 1]" 1
382 1 42 LYS H 1 42 LYS HB3 . . 3.330 3.246 2.689 3.577 0.247 6 0 "[ . 1]" 1
383 1 42 LYS H 1 43 GLU H . . 3.990 2.820 2.729 2.907 . 0 0 "[ . 1]" 1
384 1 42 LYS HA 1 45 PHE H . . 4.120 3.966 3.771 4.110 . 0 0 "[ . 1]" 1
385 1 42 LYS HA 1 46 TYR H . . 4.690 4.097 3.545 4.699 0.009 5 0 "[ . 1]" 1
386 1 42 LYS HA 1 46 TYR HE2 . . 4.770 4.118 3.555 4.657 . 0 0 "[ . 1]" 1
387 1 42 LYS QB 1 46 TYR HE2 . . 3.510 3.107 2.892 3.280 . 0 0 "[ . 1]" 1
388 1 42 LYS HB3 1 43 GLU H . . 3.720 3.388 2.677 3.861 0.141 9 0 "[ . 1]" 1
389 1 42 LYS HB3 1 46 TYR HE2 . . 4.190 3.527 2.944 4.214 0.024 4 0 "[ . 1]" 1
390 1 43 GLU H 1 44 ALA H . . 3.390 2.545 2.478 2.825 . 0 0 "[ . 1]" 1
391 1 43 GLU HA 1 46 TYR H . . 4.230 3.761 3.404 4.029 . 0 0 "[ . 1]" 1
392 1 43 GLU HA 1 46 TYR HD2 . . 3.740 2.756 1.978 3.379 . 0 0 "[ . 1]" 1
393 1 44 ALA H 1 44 ALA MB . . 2.860 2.225 2.194 2.252 . 0 0 "[ . 1]" 1
394 1 44 ALA H 1 45 PHE H . . 3.530 2.723 2.586 2.901 . 0 0 "[ . 1]" 1
395 1 44 ALA H 1 46 TYR H . . 4.430 4.315 4.218 4.467 0.037 10 0 "[ . 1]" 1
396 1 44 ALA MB 1 45 PHE H . . 3.510 2.407 2.272 2.555 . 0 0 "[ . 1]" 1
397 1 44 ALA MB 1 46 TYR H . . 4.610 4.636 4.597 4.671 0.061 1 0 "[ . 1]" 1
398 1 45 PHE H 1 45 PHE HB2 . . 3.100 2.456 2.375 2.521 . 0 0 "[ . 1]" 1
399 1 45 PHE H 1 45 PHE HB3 . . 3.880 2.613 2.543 2.698 . 0 0 "[ . 1]" 1
400 1 45 PHE H 1 46 TYR H . . 3.950 2.765 2.695 2.852 . 0 0 "[ . 1]" 1
401 1 45 PHE HB2 1 46 TYR H . . 3.710 3.694 3.591 3.828 0.118 5 0 "[ . 1]" 1
402 1 45 PHE HB3 1 46 TYR H . . 4.510 2.346 2.228 2.536 . 0 0 "[ . 1]" 1
403 1 46 TYR H 1 46 TYR HE2 . . 4.920 5.153 5.084 5.232 0.312 8 0 "[ . 1]" 1
404 1 46 TYR H 1 47 LYS H . . 3.420 2.730 2.689 2.768 . 0 0 "[ . 1]" 1
405 1 46 TYR HD1 1 53 GLN QE . . 4.030 2.809 2.075 4.028 . 0 0 "[ . 1]" 1
406 1 49 PRO HA 1 51 TRP HD1 . . 4.350 4.607 4.598 4.622 0.272 8 0 "[ . 1]" 1
407 1 49 PRO HB2 1 51 TRP H . . 4.260 2.748 2.520 2.810 . 0 0 "[ . 1]" 1
408 1 49 PRO HB2 1 51 TRP HD1 . . 4.100 1.951 1.943 1.958 . 0 0 "[ . 1]" 1
409 1 49 PRO HB2 1 51 TRP HZ2 . . 5.500 5.573 5.563 5.618 0.118 7 0 "[ . 1]" 1
410 1 49 PRO HB2 1 52 LYS H . . 3.880 2.917 2.869 2.944 . 0 0 "[ . 1]" 1
411 1 49 PRO HB2 1 53 GLN H . . 4.320 4.398 4.366 4.421 0.101 10 0 "[ . 1]" 1
412 1 49 PRO HG2 1 51 TRP HD1 . . 4.710 3.249 3.223 3.268 . 0 0 "[ . 1]" 1
413 1 49 PRO HG2 1 51 TRP HE1 . . 5.100 2.741 2.703 2.834 . 0 0 "[ . 1]" 1
414 1 49 PRO HG2 1 51 TRP HZ2 . . 4.730 4.132 4.112 4.165 . 0 0 "[ . 1]" 1
415 1 49 PRO HG2 1 52 LYS H . . 4.000 2.216 2.126 2.256 . 0 0 "[ . 1]" 1
416 1 49 PRO HG2 1 52 LYS HA . . 3.900 4.031 3.966 4.054 0.154 9 0 "[ . 1]" 1
417 1 49 PRO HG2 1 53 GLN H . . 4.910 3.656 3.583 3.699 . 0 0 "[ . 1]" 1
418 1 50 LYS HA 1 53 GLN H . . 4.030 3.325 3.296 3.437 . 0 0 "[ . 1]" 1
419 1 50 LYS HA 1 53 GLN QB . . 3.000 2.187 2.131 2.280 . 0 0 "[ . 1]" 1
420 1 50 LYS HA 1 53 GLN QE . . 4.650 4.042 3.319 4.601 . 0 0 "[ . 1]" 1
421 1 50 LYS HA 1 54 ASN H . . 4.230 3.965 3.905 4.049 . 0 0 "[ . 1]" 1
422 1 51 TRP H 1 51 TRP QB . . 3.260 2.290 2.279 2.319 . 0 0 "[ . 1]" 1
423 1 51 TRP H 1 51 TRP HB3 . . 3.770 2.319 2.307 2.349 . 0 0 "[ . 1]" 1
424 1 51 TRP H 1 51 TRP HD1 . . 3.570 2.588 2.556 2.644 . 0 0 "[ . 1]" 1
425 1 51 TRP H 1 52 LYS H . . 3.800 2.751 2.627 2.784 . 0 0 "[ . 1]" 1
426 1 51 TRP H 1 53 GLN QB . . 4.480 4.643 4.624 4.670 0.190 4 0 "[ . 1]" 1
427 1 51 TRP HA 1 51 TRP HD1 . . 4.610 4.545 4.526 4.596 . 0 0 "[ . 1]" 1
428 1 51 TRP HA 1 54 ASN H . . 4.480 3.830 3.799 3.913 . 0 0 "[ . 1]" 1
429 1 51 TRP HA 1 54 ASN HB3 . . 4.180 4.449 4.426 4.469 0.289 1 0 "[ . 1]" 1
430 1 51 TRP HA 1 55 LYS H . . 4.830 4.598 4.576 4.637 . 0 0 "[ . 1]" 1
431 1 51 TRP QB 1 51 TRP HD1 . . 3.290 2.615 2.588 2.624 . 0 0 "[ . 1]" 1
432 1 51 TRP HB3 1 51 TRP HD1 . . 3.770 2.663 2.634 2.673 . 0 0 "[ . 1]" 1
433 1 51 TRP HD1 1 52 LYS H . . 4.860 3.189 3.160 3.313 . 0 0 "[ . 1]" 1
434 1 52 LYS H 1 52 LYS HB3 . . 3.680 2.578 2.540 2.612 . 0 0 "[ . 1]" 1
435 1 52 LYS H 1 53 GLN H . . 3.380 2.447 2.435 2.455 . 0 0 "[ . 1]" 1
436 1 52 LYS H 1 53 GLN QB . . 4.210 4.181 4.166 4.201 . 0 0 "[ . 1]" 1
437 1 52 LYS H 1 54 ASN H . . 4.840 4.130 4.084 4.210 . 0 0 "[ . 1]" 1
438 1 52 LYS HA 1 55 LYS H . . 3.800 3.243 3.163 3.283 . 0 0 "[ . 1]" 1
439 1 52 LYS HA 1 55 LYS QB . . 3.410 2.385 2.207 2.435 . 0 0 "[ . 1]" 1
440 1 52 LYS HA 1 55 LYS HB3 . . 3.960 3.970 3.796 4.013 0.053 9 0 "[ . 1]" 1
441 1 52 LYS HA 1 56 PHE H . . 4.390 3.907 3.736 3.967 . 0 0 "[ . 1]" 1
442 1 52 LYS QB 1 53 GLN H . . 3.590 2.707 2.622 2.764 . 0 0 "[ . 1]" 1
443 1 52 LYS HB3 1 53 GLN H . . 4.100 2.761 2.667 2.826 . 0 0 "[ . 1]" 1
444 1 53 GLN H 1 53 GLN QB . . 3.190 2.160 2.109 2.249 . 0 0 "[ . 1]" 1
445 1 53 GLN H 1 54 ASN H . . 3.730 2.674 2.628 2.751 . 0 0 "[ . 1]" 1
446 1 53 GLN HA 1 55 LYS H . . 4.800 4.206 4.173 4.255 . 0 0 "[ . 1]" 1
447 1 53 GLN QB 1 53 GLN QE . . 3.910 2.924 1.963 3.447 . 0 0 "[ . 1]" 1
448 1 53 GLN QB 1 54 ASN H . . 3.360 2.687 2.596 2.739 . 0 0 "[ . 1]" 1
449 1 54 ASN H 1 54 ASN HB3 . . 3.610 3.300 3.155 3.353 . 0 0 "[ . 1]" 1
450 1 54 ASN H 1 55 LYS H . . 3.670 2.454 2.441 2.491 . 0 0 "[ . 1]" 1
451 1 54 ASN H 1 55 LYS HG2 . . 4.320 4.373 4.366 4.390 0.070 9 0 "[ . 1]" 1
452 1 54 ASN HA 1 57 LYS H . . 4.360 3.648 3.595 3.691 . 0 0 "[ . 1]" 1
453 1 54 ASN HA 1 58 MET H . . 5.010 4.470 4.340 4.681 . 0 0 "[ . 1]" 1
454 1 54 ASN HA 1 63 PHE HD2 . . 4.810 3.636 3.522 3.890 . 0 0 "[ . 1]" 1
455 1 54 ASN HB3 1 54 ASN QD . . 3.350 2.540 2.142 3.336 . 0 0 "[ . 1]" 1
456 1 54 ASN HB3 1 54 ASN HD22 . . 3.820 3.660 3.454 4.089 0.269 4 0 "[ . 1]" 1
457 1 54 ASN HB3 1 55 LYS H . . 3.900 3.323 3.175 3.386 . 0 0 "[ . 1]" 1
458 1 54 ASN HB3 1 63 PHE HE2 . . 4.570 3.435 3.200 3.721 . 0 0 "[ . 1]" 1
459 1 54 ASN QD 1 63 PHE HD2 . . 5.340 4.605 4.367 4.888 . 0 0 "[ . 1]" 1
460 1 54 ASN QD 1 63 PHE HE2 . . 3.200 2.638 2.389 2.860 . 0 0 "[ . 1]" 1
461 1 54 ASN HD21 1 63 PHE HE2 . . 4.000 3.279 2.929 3.555 . 0 0 "[ . 1]" 1
462 1 54 ASN HD22 1 63 PHE HE2 . . 4.000 2.783 2.532 3.015 . 0 0 "[ . 1]" 1
463 1 55 LYS H 1 55 LYS HB3 . . 3.280 3.577 3.575 3.579 0.299 9 0 "[ . 1]" 1
464 1 55 LYS H 1 55 LYS HG2 . . 3.920 2.549 2.538 2.562 . 0 0 "[ . 1]" 1
465 1 55 LYS H 1 56 PHE H . . 3.870 2.672 2.656 2.687 . 0 0 "[ . 1]" 1
466 1 55 LYS H 1 56 PHE HB2 . . 5.050 4.459 4.434 4.482 . 0 0 "[ . 1]" 1
467 1 55 LYS HA 1 58 MET H . . 4.620 4.015 3.917 4.044 . 0 0 "[ . 1]" 1
468 1 55 LYS QB 1 56 PHE H . . 3.300 2.340 2.334 2.348 . 0 0 "[ . 1]" 1
469 1 55 LYS HB3 1 56 PHE H . . 4.000 3.290 3.266 3.316 . 0 0 "[ . 1]" 1
470 1 55 LYS HG2 1 56 PHE H . . 4.410 4.439 4.428 4.447 0.037 5 0 "[ . 1]" 1
471 1 56 PHE H 1 56 PHE HB2 . . 3.270 2.067 2.065 2.068 . 0 0 "[ . 1]" 1
472 1 56 PHE H 1 56 PHE HD1 . . 5.340 4.673 4.645 4.705 . 0 0 "[ . 1]" 1
473 1 56 PHE H 1 56 PHE HD2 . . 4.200 3.940 3.890 3.981 . 0 0 "[ . 1]" 1
474 1 56 PHE H 1 57 LYS H . . 3.650 2.706 2.676 2.774 . 0 0 "[ . 1]" 1
475 1 56 PHE HA 1 56 PHE HD1 . . 4.070 2.238 2.210 2.287 . 0 0 "[ . 1]" 1
476 1 56 PHE HA 1 59 ALA H . . 4.410 3.242 3.235 3.254 . 0 0 "[ . 1]" 1
477 1 56 PHE HA 1 59 ALA MB . . 3.560 2.005 1.999 2.011 . 0 0 "[ . 1]" 1
478 1 56 PHE HB2 1 56 PHE HD2 . . 3.690 2.305 2.300 2.310 . 0 0 "[ . 1]" 1
479 1 56 PHE HB2 1 57 LYS H . . 4.300 3.190 3.170 3.240 . 0 0 "[ . 1]" 1
480 1 56 PHE HB3 1 57 LYS H . . 4.540 2.979 2.935 3.047 . 0 0 "[ . 1]" 1
481 1 56 PHE HD1 1 59 ALA HA . . 5.190 5.234 5.207 5.250 0.060 9 0 "[ . 1]" 1
482 1 56 PHE HD1 1 59 ALA MB . . 3.900 2.196 2.173 2.210 . 0 0 "[ . 1]" 1
483 1 56 PHE HD1 1 60 VAL H . . 3.990 4.037 4.032 4.046 0.056 5 0 "[ . 1]" 1
484 1 56 PHE HD1 1 60 VAL MG1 . . 3.360 2.674 2.655 2.687 . 0 0 "[ . 1]" 1
485 1 57 LYS H 1 57 LYS QB . . 3.450 2.163 2.120 2.219 . 0 0 "[ . 1]" 1
486 1 57 LYS H 1 57 LYS HB3 . . 4.050 3.489 3.452 3.529 . 0 0 "[ . 1]" 1
487 1 57 LYS H 1 58 MET H . . 4.660 3.085 3.080 3.089 . 0 0 "[ . 1]" 1
488 1 57 LYS H 1 60 VAL H . . 4.730 5.113 5.109 5.118 0.388 2 0 "[ . 1]" 1
489 1 57 LYS HA 1 60 VAL H . . 3.850 4.042 4.031 4.052 0.202 3 0 "[ . 1]" 1
490 1 57 LYS HA 1 60 VAL MG1 . . 3.600 3.902 3.893 3.912 0.312 5 0 "[ . 1]" 1
491 1 57 LYS HA 1 60 VAL MG2 . . 3.300 3.325 3.310 3.335 0.035 3 0 "[ . 1]" 1
492 1 57 LYS QB 1 58 MET H . . 3.920 2.337 2.315 2.345 . 0 0 "[ . 1]" 1
493 1 57 LYS QB 1 63 PHE HD2 . . 3.470 1.928 1.897 1.942 . 0 0 "[ . 1]" 1
494 1 57 LYS HB3 1 63 PHE HD2 . . 4.140 1.985 1.979 1.993 . 0 0 "[ . 1]" 1
495 1 58 MET H 1 58 MET HG2 . . 3.360 1.927 1.905 1.938 . 0 0 "[ . 1]" 1
496 1 58 MET H 1 59 ALA H . . 3.620 2.552 2.542 2.564 . 0 0 "[ . 1]" 1
497 1 58 MET H 1 59 ALA MB . . 5.450 4.204 4.198 4.217 . 0 0 "[ . 1]" 1
498 1 58 MET H 1 63 PHE HB2 . . 4.570 3.444 3.417 3.469 . 0 0 "[ . 1]" 1
499 1 58 MET H 1 63 PHE HB3 . . 5.030 5.109 5.101 5.119 0.089 9 0 "[ . 1]" 1
500 1 58 MET HA 1 58 MET HG2 . . 3.370 3.692 3.683 3.716 0.346 5 0 "[ . 1]" 1
501 1 58 MET HA 1 60 VAL H . . 5.110 4.099 4.089 4.107 . 0 0 "[ . 1]" 1
502 1 58 MET HA 1 61 GLN H . . 4.220 3.258 3.225 3.284 . 0 0 "[ . 1]" 1
503 1 58 MET HA 1 62 LEU H . . 4.590 2.783 2.725 2.845 . 0 0 "[ . 1]" 1
504 1 58 MET HA 1 63 PHE H . . 4.150 4.390 4.381 4.395 0.245 5 0 "[ . 1]" 1
505 1 58 MET HA 1 63 PHE HB2 . . 3.720 2.624 2.601 2.648 . 0 0 "[ . 1]" 1
506 1 58 MET HA 1 63 PHE HB3 . . 3.810 3.767 3.715 3.814 0.004 2 0 "[ . 1]" 1
507 1 58 MET HA 1 63 PHE HD2 . . 4.310 4.360 4.348 4.371 0.061 8 0 "[ . 1]" 1
508 1 58 MET HG2 1 63 PHE HD2 . . 4.430 4.362 4.094 4.438 0.008 4 0 "[ . 1]" 1
509 1 59 ALA H 1 59 ALA MB . . 3.120 2.179 2.173 2.184 . 0 0 "[ . 1]" 1
510 1 59 ALA H 1 60 VAL H . . 3.610 2.798 2.796 2.799 . 0 0 "[ . 1]" 1
511 1 59 ALA HA 1 61 GLN H . . 4.810 3.796 3.782 3.814 . 0 0 "[ . 1]" 1
512 1 59 ALA MB 1 60 VAL H . . 3.460 2.532 2.526 2.538 . 0 0 "[ . 1]" 1
513 1 59 ALA MB 1 60 VAL MG2 . . 4.060 4.131 4.126 4.137 0.077 9 0 "[ . 1]" 1
514 1 59 ALA MB 1 61 GLN H . . 4.520 4.189 4.185 4.193 . 0 0 "[ . 1]" 1
515 1 60 VAL H 1 60 VAL MG1 . . 3.490 2.062 2.051 2.075 . 0 0 "[ . 1]" 1
516 1 60 VAL H 1 60 VAL MG2 . . 3.260 2.412 2.406 2.418 . 0 0 "[ . 1]" 1
517 1 60 VAL H 1 61 GLN H . . 3.450 2.551 2.530 2.571 . 0 0 "[ . 1]" 1
518 1 60 VAL H 1 62 LEU H . . 5.140 3.257 3.221 3.290 . 0 0 "[ . 1]" 1
519 1 60 VAL H 1 62 LEU HB2 . . 3.900 4.175 4.163 4.210 0.310 3 0 "[ . 1]" 1
520 1 60 VAL HA 1 60 VAL MG1 . . 3.520 2.563 2.559 2.568 . 0 0 "[ . 1]" 1
521 1 60 VAL MG1 1 61 GLN H . . 4.730 4.046 4.041 4.052 . 0 0 "[ . 1]" 1
522 1 60 VAL MG1 1 62 LEU QD . . 4.260 3.922 3.901 3.942 . 0 0 "[ . 1]" 1
523 1 60 VAL MG2 1 61 GLN H . . 4.050 3.273 3.266 3.285 . 0 0 "[ . 1]" 1
524 1 60 VAL MG2 1 62 LEU H . . 4.190 2.420 2.373 2.471 . 0 0 "[ . 1]" 1
525 1 60 VAL MG2 1 62 LEU HB2 . . 4.520 1.867 1.862 1.876 . 0 0 "[ . 1]" 1
526 1 60 VAL MG2 1 62 LEU QD . . 3.240 2.163 2.130 2.187 . 0 0 "[ . 1]" 1
527 1 60 VAL MG2 1 62 LEU HG . . 4.180 1.940 1.928 1.947 . 0 0 "[ . 1]" 1
528 1 61 GLN H 1 61 GLN QE . . 4.720 4.166 2.306 4.733 0.013 4 0 "[ . 1]" 1
529 1 61 GLN H 1 62 LEU H . . 3.720 2.539 2.523 2.555 . 0 0 "[ . 1]" 1
530 1 62 LEU H 1 62 LEU MD1 . . 5.320 4.318 4.286 4.337 . 0 0 "[ . 1]" 1
531 1 62 LEU H 1 62 LEU QD . . 3.970 3.656 3.646 3.667 . 0 0 "[ . 1]" 1
532 1 62 LEU H 1 62 LEU MD2 . . 5.320 3.947 3.939 3.960 . 0 0 "[ . 1]" 1
533 1 62 LEU H 1 62 LEU HG . . 4.530 3.465 3.416 3.487 . 0 0 "[ . 1]" 1
534 1 62 LEU H 1 63 PHE H . . 3.690 3.892 3.882 3.904 0.214 1 0 "[ . 1]" 1
535 1 62 LEU HA 1 62 LEU QD . . 3.560 1.938 1.915 1.964 . 0 0 "[ . 1]" 1
536 1 63 PHE H 1 63 PHE HB2 . . 3.880 3.240 3.222 3.257 . 0 0 "[ . 1]" 1
537 1 63 PHE H 1 63 PHE HB3 . . 3.640 2.958 2.901 3.004 . 0 0 "[ . 1]" 1
538 1 63 PHE H 1 63 PHE HD1 . . 5.500 4.857 4.798 4.901 . 0 0 "[ . 1]" 1
539 1 63 PHE H 1 63 PHE HD2 . . 5.500 5.158 5.153 5.166 . 0 0 "[ . 1]" 1
540 1 63 PHE HA 1 63 PHE HD2 . . 3.710 2.857 2.841 2.866 . 0 0 "[ . 1]" 1
541 1 63 PHE HA 1 63 PHE HE2 . . 4.700 4.817 4.805 4.835 0.135 2 0 "[ . 1]" 1
542 1 63 PHE HB2 1 63 PHE HD2 . . 3.610 2.470 2.466 2.476 . 0 0 "[ . 1]" 1
543 1 63 PHE HB2 1 63 PHE HE2 . . 4.620 4.690 4.689 4.694 0.074 1 0 "[ . 1]" 1
544 1 63 PHE HB3 1 63 PHE HD1 . . 3.600 2.370 2.366 2.373 . 0 0 "[ . 1]" 1
545 1 63 PHE HB3 1 63 PHE HE1 . . 5.140 4.640 4.637 4.641 . 0 0 "[ . 1]" 1
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