NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
631745 |
6fs5   |
34238 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6fs5
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 548
_Distance_constraint_stats_list.Viol_count 807
_Distance_constraint_stats_list.Viol_total 784.962
_Distance_constraint_stats_list.Viol_max 0.309
_Distance_constraint_stats_list.Viol_rms 0.0178
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.0486
_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 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LYS 0.391 0.120 18 0 "[ . 1 . 2]"
1 4 LEU 0.639 0.162 14 0 "[ . 1 . 2]"
1 5 THR 0.151 0.023 19 0 "[ . 1 . 2]"
1 6 GLU 1.561 0.155 8 0 "[ . 1 . 2]"
1 7 GLU 3.909 0.117 8 0 "[ . 1 . 2]"
1 8 GLU 2.404 0.309 12 0 "[ . 1 . 2]"
1 9 LYS 1.270 0.309 12 0 "[ . 1 . 2]"
1 10 ASN 6.350 0.155 8 0 "[ . 1 . 2]"
1 11 ARG 3.299 0.153 14 0 "[ . 1 . 2]"
1 12 LEU 3.688 0.309 12 0 "[ . 1 . 2]"
1 13 ASN 1.945 0.309 12 0 "[ . 1 . 2]"
1 14 PHE 0.883 0.055 15 0 "[ . 1 . 2]"
1 15 LEU 0.065 0.032 12 0 "[ . 1 . 2]"
1 16 LYS 1.207 0.087 15 0 "[ . 1 . 2]"
1 17 LYS 1.491 0.054 10 0 "[ . 1 . 2]"
1 18 ILE 0.998 0.054 10 0 "[ . 1 . 2]"
1 19 SER 0.649 0.145 15 0 "[ . 1 . 2]"
1 20 GLN 1.493 0.118 15 0 "[ . 1 . 2]"
1 21 ARG 0.786 0.145 15 0 "[ . 1 . 2]"
1 22 TYR 3.709 0.198 18 0 "[ . 1 . 2]"
1 23 GLN 3.328 0.198 18 0 "[ . 1 . 2]"
1 24 LYS 0.373 0.030 12 0 "[ . 1 . 2]"
1 25 PHE 0.410 0.190 8 0 "[ . 1 . 2]"
1 26 ALA 2.789 0.115 16 0 "[ . 1 . 2]"
1 27 LEU 1.191 0.115 16 0 "[ . 1 . 2]"
1 28 PRO 2.196 0.110 13 0 "[ . 1 . 2]"
1 29 GLN 1.224 0.063 11 0 "[ . 1 . 2]"
1 30 TYR 4.341 0.261 16 0 "[ . 1 . 2]"
1 31 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LYS 2.143 0.159 18 0 "[ . 1 . 2]"
1 33 THR 6.542 0.261 16 0 "[ . 1 . 2]"
1 34 VAL 2.719 0.126 7 0 "[ . 1 . 2]"
1 35 TYR 2.480 0.159 18 0 "[ . 1 . 2]"
1 36 GLN 2.225 0.087 7 0 "[ . 1 . 2]"
1 37 HIS 4.517 0.123 7 0 "[ . 1 . 2]"
1 38 GLN 0.649 0.112 12 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 LYS HA 1 1 LYS QD . . 4.340 3.411 2.008 3.919 . 0 0 "[ . 1 . 2]" 1
2 1 1 LYS QB 1 2 THR H . . 4.550 3.238 1.994 4.023 . 0 0 "[ . 1 . 2]" 1
3 1 2 THR H 1 2 THR HB . . 4.170 3.650 3.190 3.939 . 0 0 "[ . 1 . 2]" 1
4 1 2 THR H 1 3 LYS H . . 5.070 4.485 4.366 4.630 . 0 0 "[ . 1 . 2]" 1
5 1 2 THR HA 1 3 LYS H . . 3.110 2.458 2.190 2.674 . 0 0 "[ . 1 . 2]" 1
6 1 2 THR HB 1 3 LYS H . . 3.210 2.574 2.139 3.129 . 0 0 "[ . 1 . 2]" 1
7 1 2 THR MG 1 3 LYS H . . 5.250 2.738 1.954 3.874 . 0 0 "[ . 1 . 2]" 1
8 1 3 LYS H 1 3 LYS HB2 . . 3.790 3.027 2.339 3.738 . 0 0 "[ . 1 . 2]" 1
9 1 3 LYS H 1 3 LYS HB3 . . 3.790 3.438 2.843 3.910 0.120 18 0 "[ . 1 . 2]" 1
10 1 3 LYS H 1 4 LEU H . . 3.580 2.827 2.100 3.601 0.021 14 0 "[ . 1 . 2]" 1
11 1 3 LYS HA 1 4 LEU H . . 3.330 2.784 2.164 2.975 . 0 0 "[ . 1 . 2]" 1
12 1 3 LYS HA 1 6 GLU QG . . 6.380 5.017 2.840 5.731 . 0 0 "[ . 1 . 2]" 1
13 1 4 LEU H 1 4 LEU HB2 . . 3.520 2.306 2.082 2.899 . 0 0 "[ . 1 . 2]" 1
14 1 4 LEU H 1 4 LEU QB . . 3.060 2.248 2.054 2.797 . 0 0 "[ . 1 . 2]" 1
15 1 4 LEU H 1 4 LEU HB3 . . 3.520 3.137 2.917 3.682 0.162 14 0 "[ . 1 . 2]" 1
16 1 4 LEU H 1 4 LEU MD1 . . 5.590 3.941 3.114 4.441 . 0 0 "[ . 1 . 2]" 1
17 1 4 LEU H 1 4 LEU QD . . 4.740 3.306 3.040 3.496 . 0 0 "[ . 1 . 2]" 1
18 1 4 LEU H 1 4 LEU MD2 . . 5.590 3.830 3.345 4.426 . 0 0 "[ . 1 . 2]" 1
19 1 4 LEU H 1 5 THR H . . 3.520 2.423 2.120 3.252 . 0 0 "[ . 1 . 2]" 1
20 1 4 LEU HA 1 4 LEU MD1 . . 4.380 2.416 2.186 2.683 . 0 0 "[ . 1 . 2]" 1
21 1 4 LEU HA 1 4 LEU QD . . 3.750 2.152 1.903 2.532 . 0 0 "[ . 1 . 2]" 1
22 1 4 LEU HA 1 4 LEU MD2 . . 4.380 2.779 2.021 3.775 . 0 0 "[ . 1 . 2]" 1
23 1 4 LEU HA 1 5 THR H . . 3.520 3.344 2.389 3.522 0.002 3 0 "[ . 1 . 2]" 1
24 1 4 LEU HA 1 7 GLU H . . 4.110 3.648 3.253 4.170 0.060 14 0 "[ . 1 . 2]" 1
25 1 4 LEU HA 1 8 GLU H . . 4.170 4.041 3.726 4.218 0.048 9 0 "[ . 1 . 2]" 1
26 1 4 LEU MD1 1 5 THR H . . 5.710 4.305 3.509 4.754 . 0 0 "[ . 1 . 2]" 1
27 1 4 LEU MD1 1 8 GLU H . . 6.520 4.303 3.202 5.404 . 0 0 "[ . 1 . 2]" 1
28 1 4 LEU MD2 1 5 THR H . . 5.710 4.574 3.881 4.708 . 0 0 "[ . 1 . 2]" 1
29 1 4 LEU MD2 1 8 GLU H . . 6.520 5.103 3.988 5.395 . 0 0 "[ . 1 . 2]" 1
30 1 5 THR H 1 5 THR HB . . 3.790 3.217 2.577 3.616 . 0 0 "[ . 1 . 2]" 1
31 1 5 THR H 1 6 GLU H . . 3.950 2.750 1.969 3.077 . 0 0 "[ . 1 . 2]" 1
32 1 5 THR HA 1 6 GLU H . . 3.550 3.535 3.483 3.573 0.023 19 0 "[ . 1 . 2]" 1
33 1 5 THR HA 1 8 GLU HB2 . . 3.640 3.080 2.500 3.316 . 0 0 "[ . 1 . 2]" 1
34 1 5 THR HA 1 8 GLU QB . . 3.010 2.760 2.458 2.845 . 0 0 "[ . 1 . 2]" 1
35 1 5 THR HA 1 8 GLU HB3 . . 3.640 3.202 2.946 3.639 . 0 0 "[ . 1 . 2]" 1
36 1 5 THR HA 1 8 GLU QG . . 6.380 4.312 3.403 4.718 . 0 0 "[ . 1 . 2]" 1
37 1 5 THR MG 1 6 GLU H . . 6.330 3.662 1.933 4.297 . 0 0 "[ . 1 . 2]" 1
38 1 5 THR MG 1 6 GLU HA . . 6.520 4.521 3.517 5.414 . 0 0 "[ . 1 . 2]" 1
39 1 6 GLU H 1 7 GLU H . . 3.420 2.769 2.507 2.940 . 0 0 "[ . 1 . 2]" 1
40 1 6 GLU HA 1 9 LYS QB . . 4.520 3.600 3.202 4.093 . 0 0 "[ . 1 . 2]" 1
41 1 6 GLU HA 1 10 ASN H . . 4.510 4.569 4.367 4.665 0.155 8 0 "[ . 1 . 2]" 1
42 1 6 GLU QG 1 10 ASN H . . 6.380 5.308 4.306 5.648 . 0 0 "[ . 1 . 2]" 1
43 1 7 GLU H 1 7 GLU HB2 . . 3.020 2.110 2.089 2.132 . 0 0 "[ . 1 . 2]" 1
44 1 7 GLU H 1 7 GLU HB3 . . 3.020 3.080 3.036 3.137 0.117 8 0 "[ . 1 . 2]" 1
45 1 7 GLU H 1 7 GLU QG . . 4.330 3.648 3.590 3.691 . 0 0 "[ . 1 . 2]" 1
46 1 7 GLU H 1 8 GLU H . . 3.730 2.727 2.540 2.844 . 0 0 "[ . 1 . 2]" 1
47 1 7 GLU HA 1 7 GLU HG2 . . 3.580 2.356 2.255 2.390 . 0 0 "[ . 1 . 2]" 1
48 1 7 GLU HA 1 7 GLU QG . . 3.050 2.223 2.179 2.237 . 0 0 "[ . 1 . 2]" 1
49 1 7 GLU HA 1 7 GLU HG3 . . 3.580 2.729 2.675 2.885 . 0 0 "[ . 1 . 2]" 1
50 1 7 GLU HA 1 10 ASN H . . 4.540 3.469 2.963 3.647 . 0 0 "[ . 1 . 2]" 1
51 1 7 GLU HA 1 10 ASN HB2 . . 3.950 2.486 2.264 2.552 . 0 0 "[ . 1 . 2]" 1
52 1 7 GLU HA 1 10 ASN QB . . 3.290 2.463 2.251 2.526 . 0 0 "[ . 1 . 2]" 1
53 1 7 GLU HA 1 10 ASN HB3 . . 3.950 4.018 3.955 4.066 0.116 8 0 "[ . 1 . 2]" 1
54 1 7 GLU HA 1 10 ASN HD21 . . 5.500 2.060 1.926 2.338 . 0 0 "[ . 1 . 2]" 1
55 1 7 GLU HA 1 10 ASN HD22 . . 5.500 3.553 3.454 3.736 . 0 0 "[ . 1 . 2]" 1
56 1 7 GLU HG2 1 10 ASN HD21 . . 5.500 4.116 3.785 4.469 . 0 0 "[ . 1 . 2]" 1
57 1 7 GLU HG2 1 10 ASN HD22 . . 5.500 5.531 5.505 5.565 0.065 8 0 "[ . 1 . 2]" 1
58 1 7 GLU HG3 1 10 ASN HD21 . . 5.500 4.429 3.949 4.871 . 0 0 "[ . 1 . 2]" 1
59 1 7 GLU HG3 1 10 ASN HD22 . . 5.500 5.531 5.506 5.565 0.065 8 0 "[ . 1 . 2]" 1
60 1 8 GLU H 1 8 GLU HB2 . . 3.790 2.347 2.071 2.476 . 0 0 "[ . 1 . 2]" 1
61 1 8 GLU H 1 8 GLU QB . . 3.220 2.207 2.051 2.254 . 0 0 "[ . 1 . 2]" 1
62 1 8 GLU H 1 8 GLU HB3 . . 3.790 2.758 2.593 3.312 . 0 0 "[ . 1 . 2]" 1
63 1 8 GLU H 1 9 LYS H . . 3.520 2.851 2.512 2.955 . 0 0 "[ . 1 . 2]" 1
64 1 8 GLU HA 1 11 ARG QD . . 6.380 4.438 1.974 5.711 . 0 0 "[ . 1 . 2]" 1
65 1 8 GLU HA 1 12 LEU H . . 4.380 4.492 4.432 4.689 0.309 12 0 "[ . 1 . 2]" 1
66 1 8 GLU QB 1 9 LYS H . . 3.260 2.237 2.083 3.135 . 0 0 "[ . 1 . 2]" 1
67 1 8 GLU HB2 1 9 LYS H . . 3.860 3.525 2.973 3.714 . 0 0 "[ . 1 . 2]" 1
68 1 8 GLU HB3 1 9 LYS H . . 3.860 2.282 2.100 3.536 . 0 0 "[ . 1 . 2]" 1
69 1 9 LYS H 1 9 LYS HG2 . . 5.500 3.495 2.167 4.557 . 0 0 "[ . 1 . 2]" 1
70 1 9 LYS H 1 9 LYS HG3 . . 5.500 4.015 2.630 4.418 . 0 0 "[ . 1 . 2]" 1
71 1 9 LYS HA 1 12 LEU H . . 3.980 3.299 3.166 3.502 . 0 0 "[ . 1 . 2]" 1
72 1 9 LYS HA 1 12 LEU QD . . 4.560 2.228 2.014 2.389 . 0 0 "[ . 1 . 2]" 1
73 1 9 LYS HA 1 13 ASN H . . 4.320 4.354 4.136 4.629 0.309 12 0 "[ . 1 . 2]" 1
74 1 9 LYS QB 1 10 ASN H . . 4.580 3.150 2.617 3.567 . 0 0 "[ . 1 . 2]" 1
75 1 9 LYS QB 1 10 ASN HD21 . . 6.380 4.690 3.344 5.738 . 0 0 "[ . 1 . 2]" 1
76 1 9 LYS QB 1 10 ASN HD22 . . 6.380 5.062 4.028 5.781 . 0 0 "[ . 1 . 2]" 1
77 1 9 LYS QD 1 10 ASN H . . 6.380 4.300 3.183 4.820 . 0 0 "[ . 1 . 2]" 1
78 1 9 LYS QD 1 10 ASN QD . . 6.160 4.327 3.679 5.036 . 0 0 "[ . 1 . 2]" 1
79 1 9 LYS QD 1 13 ASN QD . . 6.160 4.032 1.891 4.947 . 0 0 "[ . 1 . 2]" 1
80 1 9 LYS QG 1 10 ASN QD . . 4.760 3.352 2.939 3.692 . 0 0 "[ . 1 . 2]" 1
81 1 9 LYS QG 1 13 ASN QD . . 5.180 2.879 1.855 4.012 . 0 0 "[ . 1 . 2]" 1
82 1 9 LYS HG2 1 10 ASN H . . 5.500 2.915 2.069 4.390 . 0 0 "[ . 1 . 2]" 1
83 1 9 LYS HG3 1 10 ASN H . . 5.500 3.256 2.119 3.881 . 0 0 "[ . 1 . 2]" 1
84 1 10 ASN H 1 10 ASN HB2 . . 3.730 2.347 2.244 2.497 . 0 0 "[ . 1 . 2]" 1
85 1 10 ASN H 1 10 ASN QB . . 3.250 2.316 2.220 2.454 . 0 0 "[ . 1 . 2]" 1
86 1 10 ASN H 1 10 ASN HB3 . . 3.730 3.565 3.530 3.616 . 0 0 "[ . 1 . 2]" 1
87 1 10 ASN H 1 10 ASN HD21 . . 5.500 2.659 1.879 3.214 . 0 0 "[ . 1 . 2]" 1
88 1 10 ASN H 1 10 ASN HD22 . . 5.500 3.792 3.350 4.140 . 0 0 "[ . 1 . 2]" 1
89 1 10 ASN H 1 11 ARG H . . 3.480 2.612 2.391 2.768 . 0 0 "[ . 1 . 2]" 1
90 1 10 ASN HA 1 11 ARG H . . 3.360 3.476 3.428 3.513 0.153 14 0 "[ . 1 . 2]" 1
91 1 10 ASN HA 1 13 ASN H . . 4.510 4.123 3.897 4.463 . 0 0 "[ . 1 . 2]" 1
92 1 10 ASN QB 1 11 ARG H . . 3.380 2.865 2.743 3.029 . 0 0 "[ . 1 . 2]" 1
93 1 10 ASN QB 1 13 ASN QD . . 5.180 3.912 3.395 4.102 . 0 0 "[ . 1 . 2]" 1
94 1 10 ASN HB2 1 11 ARG H . . 4.140 2.974 2.845 3.168 . 0 0 "[ . 1 . 2]" 1
95 1 10 ASN HB3 1 11 ARG H . . 4.140 3.750 3.515 3.962 . 0 0 "[ . 1 . 2]" 1
96 1 10 ASN QD 1 11 ARG H . . 5.340 4.442 4.119 4.656 . 0 0 "[ . 1 . 2]" 1
97 1 11 ARG H 1 11 ARG HG2 . . 5.500 4.274 2.042 4.478 . 0 0 "[ . 1 . 2]" 1
98 1 11 ARG H 1 11 ARG HG3 . . 5.500 4.275 2.555 4.633 . 0 0 "[ . 1 . 2]" 1
99 1 11 ARG H 1 12 LEU H . . 3.480 2.460 2.310 2.611 . 0 0 "[ . 1 . 2]" 1
100 1 11 ARG H 1 12 LEU MD1 . . 6.520 5.057 4.875 5.251 . 0 0 "[ . 1 . 2]" 1
101 1 11 ARG H 1 12 LEU MD2 . . 6.520 4.127 4.069 4.202 . 0 0 "[ . 1 . 2]" 1
102 1 11 ARG HA 1 11 ARG HE . . 5.340 4.399 3.691 5.375 0.035 12 0 "[ . 1 . 2]" 1
103 1 11 ARG HA 1 11 ARG QG . . 3.690 2.332 2.140 3.343 . 0 0 "[ . 1 . 2]" 1
104 1 11 ARG HA 1 14 PHE H . . 3.390 3.414 3.359 3.445 0.055 15 0 "[ . 1 . 2]" 1
105 1 11 ARG HA 1 14 PHE HB2 . . 3.270 2.752 2.280 2.864 . 0 0 "[ . 1 . 2]" 1
106 1 11 ARG HA 1 14 PHE HB3 . . 3.270 3.074 2.575 3.272 0.002 2 0 "[ . 1 . 2]" 1
107 1 11 ARG HA 1 14 PHE QD . . 6.880 4.343 3.729 4.580 . 0 0 "[ . 1 . 2]" 1
108 1 11 ARG HB2 1 11 ARG HE . . 5.500 3.467 2.255 3.921 . 0 0 "[ . 1 . 2]" 1
109 1 11 ARG HB2 1 12 LEU H . . 3.860 3.581 2.485 3.892 0.032 10 0 "[ . 1 . 2]" 1
110 1 11 ARG HB2 1 14 PHE HB2 . . 5.500 5.326 4.190 5.540 0.040 19 0 "[ . 1 . 2]" 1
111 1 11 ARG HB2 1 14 PHE HB3 . . 5.500 5.308 4.272 5.515 0.015 19 0 "[ . 1 . 2]" 1
112 1 11 ARG HB3 1 11 ARG HE . . 5.500 2.224 1.943 4.099 . 0 0 "[ . 1 . 2]" 1
113 1 11 ARG HB3 1 12 LEU H . . 3.860 2.713 2.500 3.883 0.023 12 0 "[ . 1 . 2]" 1
114 1 11 ARG HB3 1 14 PHE HB2 . . 5.500 5.432 4.705 5.532 0.032 3 0 "[ . 1 . 2]" 1
115 1 11 ARG HB3 1 14 PHE HB3 . . 5.500 5.091 4.317 5.430 . 0 0 "[ . 1 . 2]" 1
116 1 11 ARG HE 1 12 LEU MD1 . . 6.520 5.451 5.219 5.487 . 0 0 "[ . 1 . 2]" 1
117 1 11 ARG HE 1 12 LEU MD2 . . 6.520 2.836 2.536 3.353 . 0 0 "[ . 1 . 2]" 1
118 1 11 ARG HG2 1 14 PHE QD . . 7.630 4.406 3.567 6.963 . 0 0 "[ . 1 . 2]" 1
119 1 11 ARG HG3 1 14 PHE QD . . 7.630 5.402 4.079 6.864 . 0 0 "[ . 1 . 2]" 1
120 1 12 LEU H 1 12 LEU HB2 . . 3.670 2.782 2.756 2.824 . 0 0 "[ . 1 . 2]" 1
121 1 12 LEU H 1 12 LEU QB . . 3.040 2.689 2.669 2.720 . 0 0 "[ . 1 . 2]" 1
122 1 12 LEU H 1 12 LEU HB3 . . 3.670 3.562 3.551 3.570 . 0 0 "[ . 1 . 2]" 1
123 1 12 LEU H 1 12 LEU MD1 . . 5.220 3.628 3.601 3.655 . 0 0 "[ . 1 . 2]" 1
124 1 12 LEU H 1 12 LEU QD . . 4.550 2.422 2.286 2.577 . 0 0 "[ . 1 . 2]" 1
125 1 12 LEU H 1 12 LEU MD2 . . 5.220 2.461 2.310 2.640 . 0 0 "[ . 1 . 2]" 1
126 1 12 LEU H 1 12 LEU HG . . 3.860 1.965 1.923 2.007 . 0 0 "[ . 1 . 2]" 1
127 1 12 LEU H 1 13 ASN H . . 3.610 3.015 2.934 3.159 . 0 0 "[ . 1 . 2]" 1
128 1 12 LEU HA 1 12 LEU MD1 . . 4.600 3.844 3.802 3.879 . 0 0 "[ . 1 . 2]" 1
129 1 12 LEU HA 1 12 LEU QD . . 4.020 2.161 2.099 2.219 . 0 0 "[ . 1 . 2]" 1
130 1 12 LEU HA 1 12 LEU MD2 . . 4.600 2.173 2.109 2.232 . 0 0 "[ . 1 . 2]" 1
131 1 12 LEU HA 1 12 LEU HG . . 4.170 3.425 3.347 3.488 . 0 0 "[ . 1 . 2]" 1
132 1 12 LEU HA 1 15 LEU H . . 4.110 3.947 3.843 4.123 0.013 13 0 "[ . 1 . 2]" 1
133 1 12 LEU HA 1 16 LYS H . . 4.040 4.076 4.057 4.099 0.059 12 0 "[ . 1 . 2]" 1
134 1 12 LEU HA 1 16 LYS QG . . 6.380 4.098 3.653 5.416 . 0 0 "[ . 1 . 2]" 1
135 1 12 LEU QB 1 13 ASN H . . 3.500 2.143 1.929 2.230 . 0 0 "[ . 1 . 2]" 1
136 1 12 LEU MD1 1 13 ASN H . . 6.520 4.174 3.922 4.313 . 0 0 "[ . 1 . 2]" 1
137 1 12 LEU MD2 1 13 ASN H . . 6.520 4.392 4.348 4.415 . 0 0 "[ . 1 . 2]" 1
138 1 12 LEU HG 1 13 ASN H . . 3.790 3.821 3.739 3.853 0.063 20 0 "[ . 1 . 2]" 1
139 1 12 LEU HG 1 13 ASN QD . . 5.340 4.811 4.573 4.900 . 0 0 "[ . 1 . 2]" 1
140 1 13 ASN H 1 13 ASN HB2 . . 3.730 2.932 2.666 3.592 . 0 0 "[ . 1 . 2]" 1
141 1 13 ASN H 1 13 ASN QB . . 3.180 2.572 2.328 2.719 . 0 0 "[ . 1 . 2]" 1
142 1 13 ASN H 1 13 ASN HB3 . . 3.730 3.286 2.359 3.586 . 0 0 "[ . 1 . 2]" 1
143 1 13 ASN H 1 13 ASN QD . . 4.990 2.580 1.955 2.834 . 0 0 "[ . 1 . 2]" 1
144 1 13 ASN H 1 14 PHE H . . 3.300 2.772 2.650 2.808 . 0 0 "[ . 1 . 2]" 1
145 1 13 ASN H 1 15 LEU H . . 5.220 5.020 4.984 5.082 . 0 0 "[ . 1 . 2]" 1
146 1 13 ASN HA 1 16 LYS H . . 4.200 3.773 3.706 4.081 . 0 0 "[ . 1 . 2]" 1
147 1 13 ASN QB 1 14 PHE H . . 3.700 2.926 2.662 3.448 . 0 0 "[ . 1 . 2]" 1
148 1 13 ASN QB 1 14 PHE QD . . 7.320 5.018 4.332 5.707 . 0 0 "[ . 1 . 2]" 1
149 1 13 ASN QB 1 17 LYS H . . 5.340 4.781 4.684 4.977 . 0 0 "[ . 1 . 2]" 1
150 1 14 PHE H 1 14 PHE HB2 . . 3.520 2.293 2.126 2.392 . 0 0 "[ . 1 . 2]" 1
151 1 14 PHE H 1 14 PHE QB . . 3.070 2.193 2.091 2.251 . 0 0 "[ . 1 . 2]" 1
152 1 14 PHE H 1 14 PHE HB3 . . 3.520 2.808 2.744 3.094 . 0 0 "[ . 1 . 2]" 1
153 1 14 PHE H 1 14 PHE QE . . 7.230 6.107 5.833 6.181 . 0 0 "[ . 1 . 2]" 1
154 1 14 PHE H 1 15 LEU H . . 3.390 2.995 2.824 3.103 . 0 0 "[ . 1 . 2]" 1
155 1 14 PHE HA 1 17 LYS H . . 4.600 3.659 3.547 3.720 . 0 0 "[ . 1 . 2]" 1
156 1 14 PHE HB2 1 15 LEU H . . 3.420 3.328 2.999 3.366 . 0 0 "[ . 1 . 2]" 1
157 1 14 PHE HB3 1 15 LEU H . . 3.420 1.918 1.882 2.005 . 0 0 "[ . 1 . 2]" 1
158 1 14 PHE QD 1 15 LEU H . . 6.950 3.295 3.098 3.818 . 0 0 "[ . 1 . 2]" 1
159 1 14 PHE QD 1 15 LEU HA . . 7.500 3.589 3.219 4.150 . 0 0 "[ . 1 . 2]" 1
160 1 14 PHE QD 1 15 LEU HB2 . . 7.630 4.869 4.652 5.659 . 0 0 "[ . 1 . 2]" 1
161 1 14 PHE QD 1 15 LEU HB3 . . 7.630 5.599 5.335 6.223 . 0 0 "[ . 1 . 2]" 1
162 1 14 PHE QD 1 15 LEU MD1 . . 8.650 4.223 3.729 4.553 . 0 0 "[ . 1 . 2]" 1
163 1 14 PHE QD 1 15 LEU QD . . 7.270 3.618 2.027 4.066 . 0 0 "[ . 1 . 2]" 1
164 1 14 PHE QD 1 15 LEU MD2 . . 8.650 4.149 2.036 4.850 . 0 0 "[ . 1 . 2]" 1
165 1 14 PHE QD 1 17 LYS HB2 . . 7.630 5.521 4.825 6.670 . 0 0 "[ . 1 . 2]" 1
166 1 14 PHE QD 1 17 LYS HB3 . . 7.630 5.834 4.863 6.749 . 0 0 "[ . 1 . 2]" 1
167 1 14 PHE QD 1 17 LYS QG . . 8.510 5.991 3.680 6.830 . 0 0 "[ . 1 . 2]" 1
168 1 14 PHE QD 1 18 ILE H . . 7.630 5.130 4.679 5.368 . 0 0 "[ . 1 . 2]" 1
169 1 14 PHE QD 1 18 ILE HA . . 7.630 5.803 5.385 6.065 . 0 0 "[ . 1 . 2]" 1
170 1 14 PHE QD 1 18 ILE HB . . 7.410 4.420 3.924 5.015 . 0 0 "[ . 1 . 2]" 1
171 1 14 PHE QD 1 18 ILE MD . . 6.850 3.631 2.998 3.892 . 0 0 "[ . 1 . 2]" 1
172 1 14 PHE QD 1 18 ILE QG . . 6.480 2.594 2.033 3.152 . 0 0 "[ . 1 . 2]" 1
173 1 14 PHE QD 1 18 ILE MG . . 7.410 4.415 4.055 4.880 . 0 0 "[ . 1 . 2]" 1
174 1 14 PHE QE 1 15 LEU H . . 7.630 5.478 5.337 5.971 . 0 0 "[ . 1 . 2]" 1
175 1 14 PHE QE 1 15 LEU HA . . 7.630 5.210 4.944 6.119 . 0 0 "[ . 1 . 2]" 1
176 1 14 PHE QE 1 15 LEU MD1 . . 8.650 5.728 4.670 6.090 . 0 0 "[ . 1 . 2]" 1
177 1 14 PHE QE 1 15 LEU MD2 . . 8.650 5.333 3.640 5.910 . 0 0 "[ . 1 . 2]" 1
178 1 14 PHE QE 1 18 ILE H . . 7.630 6.137 5.837 6.454 . 0 0 "[ . 1 . 2]" 1
179 1 14 PHE QE 1 18 ILE MD . . 7.720 2.826 2.270 3.219 . 0 0 "[ . 1 . 2]" 1
180 1 14 PHE QE 1 18 ILE HG12 . . 7.630 3.971 3.556 4.276 . 0 0 "[ . 1 . 2]" 1
181 1 14 PHE QE 1 18 ILE HG13 . . 7.630 3.040 2.645 3.671 . 0 0 "[ . 1 . 2]" 1
182 1 14 PHE QE 1 18 ILE MG . . 7.910 4.264 3.895 4.980 . 0 0 "[ . 1 . 2]" 1
183 1 15 LEU H 1 15 LEU HB2 . . 3.520 2.216 2.196 2.301 . 0 0 "[ . 1 . 2]" 1
184 1 15 LEU H 1 15 LEU QB . . 3.010 2.194 2.174 2.274 . 0 0 "[ . 1 . 2]" 1
185 1 15 LEU H 1 15 LEU HB3 . . 3.520 3.514 3.502 3.552 0.032 12 0 "[ . 1 . 2]" 1
186 1 15 LEU H 1 15 LEU MD1 . . 5.710 3.312 3.064 3.917 . 0 0 "[ . 1 . 2]" 1
187 1 15 LEU H 1 15 LEU QD . . 4.250 2.869 1.929 3.176 . 0 0 "[ . 1 . 2]" 1
188 1 15 LEU H 1 15 LEU MD2 . . 5.710 3.738 1.934 4.214 . 0 0 "[ . 1 . 2]" 1
189 1 15 LEU H 1 15 LEU HG . . 3.860 3.164 2.914 3.867 0.007 12 0 "[ . 1 . 2]" 1
190 1 15 LEU H 1 18 ILE MD . . 6.520 5.510 5.483 5.558 . 0 0 "[ . 1 . 2]" 1
191 1 15 LEU H 1 18 ILE MG . . 6.520 5.451 5.412 5.540 . 0 0 "[ . 1 . 2]" 1
192 1 15 LEU HA 1 15 LEU HG . . 3.730 2.650 2.333 3.698 . 0 0 "[ . 1 . 2]" 1
193 1 15 LEU HA 1 18 ILE H . . 4.290 3.252 3.173 3.359 . 0 0 "[ . 1 . 2]" 1
194 1 15 LEU HA 1 18 ILE HB . . 3.300 1.986 1.973 2.074 . 0 0 "[ . 1 . 2]" 1
195 1 15 LEU HA 1 18 ILE MD . . 6.180 4.281 4.240 4.403 . 0 0 "[ . 1 . 2]" 1
196 1 15 LEU HA 1 18 ILE QG . . 4.080 2.700 2.650 2.824 . 0 0 "[ . 1 . 2]" 1
197 1 15 LEU HA 1 18 ILE MG . . 5.280 3.323 3.291 3.458 . 0 0 "[ . 1 . 2]" 1
198 1 15 LEU HA 1 19 SER H . . 4.320 3.755 3.580 4.271 . 0 0 "[ . 1 . 2]" 1
199 1 16 LYS H 1 16 LYS HB2 . . 4.010 2.271 2.093 3.558 . 0 0 "[ . 1 . 2]" 1
200 1 16 LYS H 1 16 LYS HB3 . . 4.010 3.433 2.324 3.569 . 0 0 "[ . 1 . 2]" 1
201 1 16 LYS H 1 16 LYS QE . . 6.380 4.933 4.306 5.450 . 0 0 "[ . 1 . 2]" 1
202 1 16 LYS H 1 17 LYS H . . 3.300 2.793 2.727 2.860 . 0 0 "[ . 1 . 2]" 1
203 1 16 LYS HA 1 16 LYS QD . . 5.080 3.093 2.066 3.961 . 0 0 "[ . 1 . 2]" 1
204 1 16 LYS HA 1 19 SER H . . 4.880 4.000 3.659 4.192 . 0 0 "[ . 1 . 2]" 1
205 1 16 LYS HA 1 20 GLN H . . 4.790 4.815 4.794 4.877 0.087 15 0 "[ . 1 . 2]" 1
206 1 17 LYS H 1 17 LYS HB2 . . 3.730 2.423 2.098 3.620 . 0 0 "[ . 1 . 2]" 1
207 1 17 LYS H 1 17 LYS QB . . 3.030 2.231 2.075 2.575 . 0 0 "[ . 1 . 2]" 1
208 1 17 LYS H 1 17 LYS HB3 . . 3.730 3.191 2.615 3.611 . 0 0 "[ . 1 . 2]" 1
209 1 17 LYS H 1 18 ILE H . . 3.050 2.429 2.369 2.534 . 0 0 "[ . 1 . 2]" 1
210 1 17 LYS H 1 18 ILE MD . . 6.520 5.393 5.176 5.488 . 0 0 "[ . 1 . 2]" 1
211 1 17 LYS H 1 18 ILE HG12 . . 5.500 4.202 4.021 4.272 . 0 0 "[ . 1 . 2]" 1
212 1 17 LYS H 1 18 ILE HG13 . . 5.500 5.512 5.321 5.533 0.033 20 0 "[ . 1 . 2]" 1
213 1 17 LYS HA 1 17 LYS QD . . 4.710 3.647 2.113 4.237 . 0 0 "[ . 1 . 2]" 1
214 1 17 LYS HA 1 18 ILE H . . 3.390 3.410 3.281 3.444 0.054 10 0 "[ . 1 . 2]" 1
215 1 17 LYS HA 1 20 GLN H . . 3.450 3.446 3.158 3.498 0.048 8 0 "[ . 1 . 2]" 1
216 1 17 LYS HA 1 21 ARG H . . 3.890 3.571 3.066 3.721 . 0 0 "[ . 1 . 2]" 1
217 1 18 ILE H 1 18 ILE HB . . 3.140 2.347 2.326 2.380 . 0 0 "[ . 1 . 2]" 1
218 1 18 ILE H 1 18 ILE MD . . 5.590 3.808 3.635 3.986 . 0 0 "[ . 1 . 2]" 1
219 1 18 ILE H 1 18 ILE HG12 . . 5.100 2.591 2.501 2.908 . 0 0 "[ . 1 . 2]" 1
220 1 18 ILE H 1 18 ILE QG . . 4.240 2.546 2.464 2.841 . 0 0 "[ . 1 . 2]" 1
221 1 18 ILE H 1 18 ILE HG13 . . 5.100 3.746 3.688 3.990 . 0 0 "[ . 1 . 2]" 1
222 1 18 ILE H 1 19 SER H . . 3.550 2.622 2.179 2.802 . 0 0 "[ . 1 . 2]" 1
223 1 18 ILE HA 1 18 ILE MD . . 4.720 2.023 1.964 2.118 . 0 0 "[ . 1 . 2]" 1
224 1 18 ILE HA 1 20 GLN H . . 4.230 3.915 3.839 4.213 . 0 0 "[ . 1 . 2]" 1
225 1 18 ILE HA 1 21 ARG H . . 4.450 3.595 3.387 3.960 . 0 0 "[ . 1 . 2]" 1
226 1 18 ILE HA 1 21 ARG QB . . 4.520 3.266 2.630 3.987 . 0 0 "[ . 1 . 2]" 1
227 1 18 ILE HA 1 21 ARG QD . . 6.380 4.492 2.247 5.712 . 0 0 "[ . 1 . 2]" 1
228 1 18 ILE HA 1 21 ARG QG . . 6.380 4.487 2.104 5.712 . 0 0 "[ . 1 . 2]" 1
229 1 18 ILE HA 1 22 TYR H . . 4.170 3.459 3.207 3.753 . 0 0 "[ . 1 . 2]" 1
230 1 18 ILE HA 1 22 TYR QD . . 7.630 5.595 5.258 5.791 . 0 0 "[ . 1 . 2]" 1
231 1 18 ILE HB 1 19 SER H . . 3.610 2.524 2.321 3.006 . 0 0 "[ . 1 . 2]" 1
232 1 18 ILE MD 1 19 SER H . . 6.520 4.659 4.575 4.836 . 0 0 "[ . 1 . 2]" 1
233 1 18 ILE MD 1 21 ARG H . . 6.520 5.094 4.915 5.342 . 0 0 "[ . 1 . 2]" 1
234 1 18 ILE MD 1 22 TYR QD . . 8.650 4.863 4.415 5.327 . 0 0 "[ . 1 . 2]" 1
235 1 18 ILE MD 1 22 TYR QE . . 8.650 6.319 6.070 6.536 . 0 0 "[ . 1 . 2]" 1
236 1 18 ILE HG12 1 19 SER H . . 5.500 4.456 4.400 4.607 . 0 0 "[ . 1 . 2]" 1
237 1 18 ILE HG13 1 19 SER H . . 5.500 4.851 4.681 5.256 . 0 0 "[ . 1 . 2]" 1
238 1 18 ILE MG 1 19 SER H . . 5.250 2.956 2.707 3.539 . 0 0 "[ . 1 . 2]" 1
239 1 18 ILE MG 1 20 GLN H . . 6.520 4.438 4.296 4.831 . 0 0 "[ . 1 . 2]" 1
240 1 18 ILE MG 1 21 ARG H . . 6.520 4.894 4.745 5.357 . 0 0 "[ . 1 . 2]" 1
241 1 18 ILE MG 1 22 TYR HB2 . . 6.520 2.844 2.609 3.273 . 0 0 "[ . 1 . 2]" 1
242 1 18 ILE MG 1 22 TYR QB . . 5.720 2.726 2.543 3.128 . 0 0 "[ . 1 . 2]" 1
243 1 18 ILE MG 1 22 TYR HB3 . . 6.520 3.513 3.294 3.987 . 0 0 "[ . 1 . 2]" 1
244 1 18 ILE MG 1 22 TYR QD . . 8.370 3.974 3.602 4.304 . 0 0 "[ . 1 . 2]" 1
245 1 18 ILE MG 1 22 TYR QE . . 8.650 5.307 5.113 5.450 . 0 0 "[ . 1 . 2]" 1
246 1 19 SER H 1 19 SER HB2 . . 3.890 2.465 2.079 3.568 . 0 0 "[ . 1 . 2]" 1
247 1 19 SER H 1 19 SER HB3 . . 3.890 3.020 2.202 3.682 . 0 0 "[ . 1 . 2]" 1
248 1 19 SER H 1 20 GLN H . . 3.550 2.522 2.175 2.600 . 0 0 "[ . 1 . 2]" 1
249 1 19 SER HA 1 21 ARG H . . 4.720 4.739 4.655 4.865 0.145 15 0 "[ . 1 . 2]" 1
250 1 19 SER HA 1 22 TYR HB2 . . 4.110 4.097 3.913 4.142 0.032 15 0 "[ . 1 . 2]" 1
251 1 19 SER HA 1 22 TYR QB . . 3.600 2.881 2.722 3.090 . 0 0 "[ . 1 . 2]" 1
252 1 19 SER HA 1 22 TYR HB3 . . 4.110 2.946 2.776 3.194 . 0 0 "[ . 1 . 2]" 1
253 1 19 SER HA 1 22 TYR QD . . 7.630 4.074 3.554 4.693 . 0 0 "[ . 1 . 2]" 1
254 1 19 SER HA 1 23 GLN H . . 4.320 3.764 3.442 4.087 . 0 0 "[ . 1 . 2]" 1
255 1 20 GLN H 1 20 GLN HB2 . . 4.170 2.383 2.188 3.539 . 0 0 "[ . 1 . 2]" 1
256 1 20 GLN H 1 20 GLN QB . . 3.540 2.282 2.163 2.893 . 0 0 "[ . 1 . 2]" 1
257 1 20 GLN H 1 20 GLN HB3 . . 4.170 3.445 2.223 3.640 . 0 0 "[ . 1 . 2]" 1
258 1 20 GLN H 1 20 GLN QG . . 3.770 3.055 1.836 3.754 . 0 0 "[ . 1 . 2]" 1
259 1 20 GLN H 1 21 ARG H . . 3.640 2.292 2.041 2.428 . 0 0 "[ . 1 . 2]" 1
260 1 20 GLN HA 1 20 GLN HG2 . . 3.860 2.579 2.095 3.797 . 0 0 "[ . 1 . 2]" 1
261 1 20 GLN HA 1 20 GLN QG . . 3.330 2.443 2.077 3.283 . 0 0 "[ . 1 . 2]" 1
262 1 20 GLN HA 1 20 GLN HG3 . . 3.860 3.391 2.692 3.702 . 0 0 "[ . 1 . 2]" 1
263 1 20 GLN HA 1 23 GLN HB2 . . 4.140 4.112 3.847 4.166 0.026 12 0 "[ . 1 . 2]" 1
264 1 20 GLN HA 1 23 GLN HB3 . . 4.140 3.993 3.460 4.162 0.022 8 0 "[ . 1 . 2]" 1
265 1 20 GLN QB 1 21 ARG H . . 3.230 2.617 2.536 3.144 . 0 0 "[ . 1 . 2]" 1
266 1 20 GLN HB2 1 20 GLN HE22 . . 5.500 4.846 3.737 5.353 . 0 0 "[ . 1 . 2]" 1
267 1 20 GLN HB2 1 21 ARG H . . 3.890 2.808 2.619 3.965 0.075 10 0 "[ . 1 . 2]" 1
268 1 20 GLN HB3 1 20 GLN HE22 . . 5.500 4.306 3.313 4.951 . 0 0 "[ . 1 . 2]" 1
269 1 20 GLN HB3 1 21 ARG H . . 3.890 3.288 2.635 4.008 0.118 15 0 "[ . 1 . 2]" 1
270 1 21 ARG H 1 22 TYR H . . 3.110 2.504 2.363 2.645 . 0 0 "[ . 1 . 2]" 1
271 1 21 ARG HA 1 24 LYS HB2 . . 3.550 2.256 2.088 2.344 . 0 0 "[ . 1 . 2]" 1
272 1 21 ARG HA 1 24 LYS QB . . 3.020 2.231 2.069 2.314 . 0 0 "[ . 1 . 2]" 1
273 1 21 ARG HA 1 24 LYS HB3 . . 3.550 3.535 3.356 3.580 0.030 12 0 "[ . 1 . 2]" 1
274 1 21 ARG QB 1 22 TYR QD . . 8.510 5.557 5.243 6.109 . 0 0 "[ . 1 . 2]" 1
275 1 21 ARG QG 1 22 TYR H . . 6.380 3.518 2.047 4.346 . 0 0 "[ . 1 . 2]" 1
276 1 21 ARG QG 1 22 TYR QD . . 8.510 5.551 4.311 6.941 . 0 0 "[ . 1 . 2]" 1
277 1 22 TYR H 1 22 TYR HB2 . . 3.550 2.523 2.437 2.608 . 0 0 "[ . 1 . 2]" 1
278 1 22 TYR H 1 22 TYR QB . . 3.100 2.255 2.244 2.263 . 0 0 "[ . 1 . 2]" 1
279 1 22 TYR H 1 22 TYR HB3 . . 3.550 2.545 2.477 2.625 . 0 0 "[ . 1 . 2]" 1
280 1 22 TYR H 1 23 GLN H . . 3.700 2.777 2.649 2.872 . 0 0 "[ . 1 . 2]" 1
281 1 22 TYR HA 1 25 PHE H . . 3.920 3.723 3.397 3.991 0.071 5 0 "[ . 1 . 2]" 1
282 1 22 TYR HA 1 25 PHE QD . . 7.130 5.636 3.543 6.579 . 0 0 "[ . 1 . 2]" 1
283 1 22 TYR HA 1 26 ALA H . . 4.140 4.002 3.434 4.189 0.049 9 0 "[ . 1 . 2]" 1
284 1 22 TYR HA 1 26 ALA MB . . 5.310 3.300 3.052 3.469 . 0 0 "[ . 1 . 2]" 1
285 1 22 TYR QB 1 26 ALA MB . . 5.370 4.024 3.969 4.073 . 0 0 "[ . 1 . 2]" 1
286 1 22 TYR HB2 1 23 GLN H . . 3.640 3.779 3.719 3.838 0.198 18 0 "[ . 1 . 2]" 1
287 1 22 TYR HB3 1 23 GLN H . . 3.640 2.413 2.329 2.524 . 0 0 "[ . 1 . 2]" 1
288 1 22 TYR QD 1 23 GLN HA . . 7.630 3.526 2.904 4.335 . 0 0 "[ . 1 . 2]" 1
289 1 22 TYR QD 1 25 PHE H . . 7.630 5.330 4.873 5.785 . 0 0 "[ . 1 . 2]" 1
290 1 22 TYR QD 1 26 ALA MB . . 7.780 3.034 2.644 3.283 . 0 0 "[ . 1 . 2]" 1
291 1 22 TYR QE 1 23 GLN H . . 7.630 5.471 5.300 5.730 . 0 0 "[ . 1 . 2]" 1
292 1 22 TYR QE 1 23 GLN QB . . 7.310 5.366 5.191 5.651 . 0 0 "[ . 1 . 2]" 1
293 1 22 TYR QE 1 23 GLN HG2 . . 7.630 5.788 5.331 6.598 . 0 0 "[ . 1 . 2]" 1
294 1 22 TYR QE 1 23 GLN HG3 . . 7.630 4.926 4.157 5.895 . 0 0 "[ . 1 . 2]" 1
295 1 22 TYR QE 1 24 LYS H . . 7.630 6.610 6.314 6.739 . 0 0 "[ . 1 . 2]" 1
296 1 22 TYR QE 1 26 ALA HA . . 7.630 5.235 4.496 5.837 . 0 0 "[ . 1 . 2]" 1
297 1 22 TYR QE 1 26 ALA MB . . 8.650 2.901 2.520 3.276 . 0 0 "[ . 1 . 2]" 1
298 1 22 TYR QE 1 27 LEU MD1 . . 8.650 5.710 5.118 6.292 . 0 0 "[ . 1 . 2]" 1
299 1 22 TYR QE 1 27 LEU MD2 . . 8.650 6.249 6.005 6.509 . 0 0 "[ . 1 . 2]" 1
300 1 23 GLN H 1 23 GLN HB2 . . 3.550 2.187 2.105 2.264 . 0 0 "[ . 1 . 2]" 1
301 1 23 GLN H 1 23 GLN QB . . 3.100 2.137 2.078 2.180 . 0 0 "[ . 1 . 2]" 1
302 1 23 GLN H 1 23 GLN HB3 . . 3.550 3.021 2.847 3.194 . 0 0 "[ . 1 . 2]" 1
303 1 23 GLN H 1 23 GLN HG2 . . 5.160 4.403 4.211 4.512 . 0 0 "[ . 1 . 2]" 1
304 1 23 GLN H 1 23 GLN QG . . 4.300 3.745 3.549 3.856 . 0 0 "[ . 1 . 2]" 1
305 1 23 GLN H 1 23 GLN HG3 . . 5.160 4.063 3.760 4.297 . 0 0 "[ . 1 . 2]" 1
306 1 23 GLN H 1 24 LYS H . . 3.390 2.683 2.568 3.105 . 0 0 "[ . 1 . 2]" 1
307 1 23 GLN H 1 24 LYS HG2 . . 5.500 5.371 4.853 5.525 0.025 8 0 "[ . 1 . 2]" 1
308 1 23 GLN H 1 24 LYS HG3 . . 5.500 5.459 5.221 5.524 0.024 8 0 "[ . 1 . 2]" 1
309 1 23 GLN HA 1 23 GLN HG2 . . 4.070 2.335 2.089 2.633 . 0 0 "[ . 1 . 2]" 1
310 1 23 GLN HA 1 23 GLN QG . . 3.520 2.199 2.065 2.271 . 0 0 "[ . 1 . 2]" 1
311 1 23 GLN HA 1 23 GLN HG3 . . 4.070 2.772 2.368 3.226 . 0 0 "[ . 1 . 2]" 1
312 1 23 GLN HA 1 24 LYS H . . 3.480 3.199 2.826 3.306 . 0 0 "[ . 1 . 2]" 1
313 1 23 GLN HA 1 26 ALA MB . . 5.310 3.173 2.836 3.399 . 0 0 "[ . 1 . 2]" 1
314 1 23 GLN QB 1 27 LEU QD . . 5.720 3.501 3.322 3.717 . 0 0 "[ . 1 . 2]" 1
315 1 23 GLN HB2 1 23 GLN HE22 . . 5.500 4.427 3.737 5.227 . 0 0 "[ . 1 . 2]" 1
316 1 23 GLN HB3 1 23 GLN HE22 . . 5.500 3.894 3.380 4.506 . 0 0 "[ . 1 . 2]" 1
317 1 23 GLN QG 1 24 LYS H . . 5.340 4.590 4.504 4.665 . 0 0 "[ . 1 . 2]" 1
318 1 23 GLN QG 1 26 ALA MB . . 6.170 4.349 4.126 4.461 . 0 0 "[ . 1 . 2]" 1
319 1 23 GLN QG 1 27 LEU QD . . 5.720 2.444 2.035 2.851 . 0 0 "[ . 1 . 2]" 1
320 1 24 LYS H 1 24 LYS HB2 . . 3.700 2.298 2.098 2.577 . 0 0 "[ . 1 . 2]" 1
321 1 24 LYS H 1 24 LYS QB . . 3.150 2.265 2.078 2.522 . 0 0 "[ . 1 . 2]" 1
322 1 24 LYS H 1 24 LYS HB3 . . 3.700 3.459 3.342 3.581 . 0 0 "[ . 1 . 2]" 1
323 1 24 LYS H 1 24 LYS QG . . 4.010 3.456 3.292 3.683 . 0 0 "[ . 1 . 2]" 1
324 1 24 LYS H 1 25 PHE H . . 3.050 2.142 1.844 2.492 . 0 0 "[ . 1 . 2]" 1
325 1 24 LYS HA 1 24 LYS QE . . 5.700 3.867 2.078 4.537 . 0 0 "[ . 1 . 2]" 1
326 1 24 LYS HA 1 24 LYS HG2 . . 3.830 2.162 2.081 2.399 . 0 0 "[ . 1 . 2]" 1
327 1 24 LYS HA 1 24 LYS QG . . 3.350 2.141 2.064 2.366 . 0 0 "[ . 1 . 2]" 1
328 1 24 LYS HA 1 24 LYS HG3 . . 3.830 3.476 3.415 3.602 . 0 0 "[ . 1 . 2]" 1
329 1 24 LYS HA 1 25 PHE QD . . 7.630 5.080 4.382 5.642 . 0 0 "[ . 1 . 2]" 1
330 1 24 LYS QB 1 25 PHE H . . 3.610 3.046 2.696 3.345 . 0 0 "[ . 1 . 2]" 1
331 1 24 LYS QB 1 25 PHE QD . . 6.400 3.070 2.367 3.761 . 0 0 "[ . 1 . 2]" 1
332 1 24 LYS HB2 1 25 PHE H . . 4.230 3.315 2.973 3.613 . 0 0 "[ . 1 . 2]" 1
333 1 24 LYS HB3 1 25 PHE H . . 4.230 3.557 3.048 3.945 . 0 0 "[ . 1 . 2]" 1
334 1 24 LYS QD 1 25 PHE QD . . 8.510 4.466 3.422 5.357 . 0 0 "[ . 1 . 2]" 1
335 1 24 LYS HG2 1 25 PHE QD . . 7.630 5.910 5.088 6.611 . 0 0 "[ . 1 . 2]" 1
336 1 24 LYS HG3 1 25 PHE QD . . 7.630 5.632 5.002 6.297 . 0 0 "[ . 1 . 2]" 1
337 1 25 PHE H 1 25 PHE HB2 . . 3.580 2.593 2.378 3.770 0.190 8 0 "[ . 1 . 2]" 1
338 1 25 PHE H 1 25 PHE QB . . 3.050 2.488 2.342 2.757 . 0 0 "[ . 1 . 2]" 1
339 1 25 PHE H 1 25 PHE HB3 . . 3.580 3.464 2.834 3.577 . 0 0 "[ . 1 . 2]" 1
340 1 25 PHE H 1 26 ALA H . . 3.450 1.867 1.837 1.957 . 0 0 "[ . 1 . 2]" 1
341 1 25 PHE H 1 26 ALA MB . . 5.650 3.574 3.479 3.782 . 0 0 "[ . 1 . 2]" 1
342 1 25 PHE QB 1 26 ALA H . . 3.700 3.270 2.767 3.502 . 0 0 "[ . 1 . 2]" 1
343 1 25 PHE HB2 1 26 ALA H . . 4.480 3.601 3.002 4.006 . 0 0 "[ . 1 . 2]" 1
344 1 25 PHE HB3 1 26 ALA H . . 4.480 3.761 3.202 3.938 . 0 0 "[ . 1 . 2]" 1
345 1 25 PHE QD 1 26 ALA H . . 7.260 4.759 3.168 4.975 . 0 0 "[ . 1 . 2]" 1
346 1 26 ALA H 1 27 LEU H . . 5.220 3.376 2.787 4.323 . 0 0 "[ . 1 . 2]" 1
347 1 26 ALA H 1 28 PRO HD2 . . 5.500 5.504 5.285 5.610 0.110 13 0 "[ . 1 . 2]" 1
348 1 26 ALA H 1 28 PRO HD3 . . 5.500 4.864 4.669 5.121 . 0 0 "[ . 1 . 2]" 1
349 1 26 ALA HA 1 27 LEU H . . 3.450 2.990 2.150 3.565 0.115 16 0 "[ . 1 . 2]" 1
350 1 26 ALA MB 1 27 LEU H . . 5.590 2.488 1.869 3.397 . 0 0 "[ . 1 . 2]" 1
351 1 26 ALA MB 1 28 PRO HD2 . . 6.520 3.220 3.148 3.277 . 0 0 "[ . 1 . 2]" 1
352 1 26 ALA MB 1 28 PRO HD3 . . 6.520 2.245 1.956 2.630 . 0 0 "[ . 1 . 2]" 1
353 1 26 ALA MB 1 29 GLN H . . 6.490 5.343 5.277 5.437 . 0 0 "[ . 1 . 2]" 1
354 1 26 ALA MB 1 30 TYR QD . . 8.650 6.519 6.070 6.683 . 0 0 "[ . 1 . 2]" 1
355 1 27 LEU H 1 27 LEU HG . . 4.660 4.374 4.334 4.432 . 0 0 "[ . 1 . 2]" 1
356 1 27 LEU H 1 28 PRO QD . . 4.330 2.442 2.348 2.616 . 0 0 "[ . 1 . 2]" 1
357 1 27 LEU HA 1 29 GLN H . . 5.410 3.481 3.468 3.495 . 0 0 "[ . 1 . 2]" 1
358 1 27 LEU HA 1 30 TYR H . . 3.550 2.961 2.920 3.023 . 0 0 "[ . 1 . 2]" 1
359 1 27 LEU HA 1 30 TYR HB2 . . 4.910 2.900 2.182 3.322 . 0 0 "[ . 1 . 2]" 1
360 1 27 LEU HA 1 30 TYR QB . . 4.240 2.258 2.151 2.374 . 0 0 "[ . 1 . 2]" 1
361 1 27 LEU HA 1 30 TYR HB3 . . 4.910 2.583 2.291 3.268 . 0 0 "[ . 1 . 2]" 1
362 1 27 LEU HA 1 30 TYR QD . . 6.640 4.012 3.635 4.197 . 0 0 "[ . 1 . 2]" 1
363 1 27 LEU HA 1 30 TYR QE . . 7.630 5.942 5.680 6.121 . 0 0 "[ . 1 . 2]" 1
364 1 27 LEU HA 1 31 LEU H . . 4.850 4.010 3.750 4.488 . 0 0 "[ . 1 . 2]" 1
365 1 27 LEU QB 1 28 PRO QD . . 5.180 3.784 3.782 3.785 . 0 0 "[ . 1 . 2]" 1
366 1 27 LEU QB 1 29 GLN H . . 4.970 4.477 4.445 4.521 . 0 0 "[ . 1 . 2]" 1
367 1 27 LEU QB 1 30 TYR QD . . 7.320 2.565 1.975 3.749 . 0 0 "[ . 1 . 2]" 1
368 1 27 LEU QD 1 28 PRO QD . . 5.130 3.277 3.251 3.299 . 0 0 "[ . 1 . 2]" 1
369 1 27 LEU QD 1 30 TYR H . . 6.420 3.711 3.651 3.794 . 0 0 "[ . 1 . 2]" 1
370 1 27 LEU QD 1 30 TYR QB . . 4.920 1.925 1.893 1.976 . 0 0 "[ . 1 . 2]" 1
371 1 27 LEU QD 1 30 TYR QD . . 7.560 2.682 2.289 2.883 . 0 0 "[ . 1 . 2]" 1
372 1 27 LEU QD 1 31 LEU H . . 6.420 3.956 3.737 4.334 . 0 0 "[ . 1 . 2]" 1
373 1 27 LEU MD1 1 28 PRO HD2 . . 6.520 3.649 3.611 3.714 . 0 0 "[ . 1 . 2]" 1
374 1 27 LEU MD1 1 28 PRO HD3 . . 6.520 4.302 4.197 4.398 . 0 0 "[ . 1 . 2]" 1
375 1 27 LEU MD1 1 30 TYR HB2 . . 6.520 2.316 1.950 2.546 . 0 0 "[ . 1 . 2]" 1
376 1 27 LEU MD1 1 30 TYR HB3 . . 6.520 2.205 1.956 2.764 . 0 0 "[ . 1 . 2]" 1
377 1 27 LEU MD1 1 30 TYR QE . . 8.650 3.699 3.432 3.913 . 0 0 "[ . 1 . 2]" 1
378 1 27 LEU MD2 1 28 PRO HD2 . . 6.520 4.676 4.578 4.754 . 0 0 "[ . 1 . 2]" 1
379 1 27 LEU MD2 1 28 PRO HD3 . . 6.520 4.455 4.346 4.533 . 0 0 "[ . 1 . 2]" 1
380 1 27 LEU MD2 1 30 TYR HB2 . . 6.520 4.958 4.460 5.210 . 0 0 "[ . 1 . 2]" 1
381 1 27 LEU MD2 1 30 TYR HB3 . . 6.520 4.346 4.258 4.519 . 0 0 "[ . 1 . 2]" 1
382 1 27 LEU MD2 1 30 TYR QE . . 8.650 5.033 4.628 5.625 . 0 0 "[ . 1 . 2]" 1
383 1 28 PRO HA 1 31 LEU MD1 . . 6.330 4.052 3.555 5.142 . 0 0 "[ . 1 . 2]" 1
384 1 28 PRO HA 1 31 LEU QD . . 5.030 3.581 3.380 3.847 . 0 0 "[ . 1 . 2]" 1
385 1 28 PRO HA 1 31 LEU MD2 . . 6.330 4.500 3.431 4.973 . 0 0 "[ . 1 . 2]" 1
386 1 28 PRO HB2 1 29 GLN H . . 3.360 3.255 3.238 3.269 . 0 0 "[ . 1 . 2]" 1
387 1 28 PRO HB3 1 29 GLN H . . 4.040 4.095 4.085 4.103 0.063 11 0 "[ . 1 . 2]" 1
388 1 28 PRO QD 1 29 GLN H . . 4.070 2.605 2.604 2.606 . 0 0 "[ . 1 . 2]" 1
389 1 28 PRO HD2 1 29 GLN H . . 4.850 2.650 2.649 2.652 . 0 0 "[ . 1 . 2]" 1
390 1 28 PRO HD3 1 29 GLN H . . 4.850 3.837 3.836 3.837 . 0 0 "[ . 1 . 2]" 1
391 1 29 GLN H 1 29 GLN HG2 . . 5.500 3.673 2.073 4.796 . 0 0 "[ . 1 . 2]" 1
392 1 29 GLN H 1 29 GLN QG . . 4.790 3.041 2.063 3.903 . 0 0 "[ . 1 . 2]" 1
393 1 29 GLN H 1 29 GLN HG3 . . 5.500 3.786 3.677 4.146 . 0 0 "[ . 1 . 2]" 1
394 1 29 GLN H 1 30 TYR H . . 3.140 1.843 1.793 1.869 . 0 0 "[ . 1 . 2]" 1
395 1 29 GLN H 1 30 TYR QB . . 4.250 3.626 3.576 3.663 . 0 0 "[ . 1 . 2]" 1
396 1 29 GLN H 1 30 TYR QD . . 7.630 5.501 5.171 5.653 . 0 0 "[ . 1 . 2]" 1
397 1 29 GLN H 1 31 LEU H . . 4.820 4.300 4.133 4.571 . 0 0 "[ . 1 . 2]" 1
398 1 29 GLN H 1 32 LYS H . . 5.000 4.695 4.610 4.902 . 0 0 "[ . 1 . 2]" 1
399 1 29 GLN H 1 32 LYS HB2 . . 5.380 4.813 4.706 4.943 . 0 0 "[ . 1 . 2]" 1
400 1 29 GLN H 1 32 LYS QB . . 4.550 4.302 4.234 4.402 . 0 0 "[ . 1 . 2]" 1
401 1 29 GLN H 1 32 LYS HB3 . . 5.380 4.847 4.795 4.938 . 0 0 "[ . 1 . 2]" 1
402 1 29 GLN HA 1 32 LYS H . . 3.450 3.240 3.219 3.288 . 0 0 "[ . 1 . 2]" 1
403 1 29 GLN QB 1 30 TYR H . . 5.290 3.373 3.079 3.785 . 0 0 "[ . 1 . 2]" 1
404 1 29 GLN QB 1 30 TYR QD . . 8.510 5.871 5.175 6.420 . 0 0 "[ . 1 . 2]" 1
405 1 29 GLN QB 1 33 THR H . . 4.770 3.937 3.482 4.141 . 0 0 "[ . 1 . 2]" 1
406 1 29 GLN HG2 1 30 TYR H . . 5.500 4.229 2.273 5.546 0.046 13 0 "[ . 1 . 2]" 1
407 1 29 GLN HG2 1 33 THR H . . 5.500 5.101 3.655 5.514 0.014 11 0 "[ . 1 . 2]" 1
408 1 29 GLN HG3 1 30 TYR H . . 5.500 4.514 3.744 5.218 . 0 0 "[ . 1 . 2]" 1
409 1 29 GLN HG3 1 33 THR H . . 5.500 5.366 4.638 5.521 0.021 13 0 "[ . 1 . 2]" 1
410 1 30 TYR H 1 30 TYR HB2 . . 3.730 2.547 2.191 2.790 . 0 0 "[ . 1 . 2]" 1
411 1 30 TYR H 1 30 TYR QB . . 3.110 2.203 2.136 2.256 . 0 0 "[ . 1 . 2]" 1
412 1 30 TYR H 1 30 TYR HB3 . . 3.730 2.540 2.293 2.955 . 0 0 "[ . 1 . 2]" 1
413 1 30 TYR H 1 31 LEU H . . 3.420 2.927 2.850 3.062 . 0 0 "[ . 1 . 2]" 1
414 1 30 TYR H 1 32 LYS H . . 4.040 3.715 3.653 3.837 . 0 0 "[ . 1 . 2]" 1
415 1 30 TYR H 1 33 THR H . . 4.570 4.720 4.621 4.831 0.261 16 0 "[ . 1 . 2]" 1
416 1 30 TYR HA 1 33 THR H . . 4.230 3.920 3.655 4.142 . 0 0 "[ . 1 . 2]" 1
417 1 30 TYR HA 1 34 VAL H . . 3.830 3.885 3.733 3.956 0.126 7 0 "[ . 1 . 2]" 1
418 1 30 TYR HA 1 34 VAL MG1 . . 6.520 5.283 4.958 5.473 . 0 0 "[ . 1 . 2]" 1
419 1 30 TYR HA 1 34 VAL MG2 . . 6.520 2.906 2.555 3.083 . 0 0 "[ . 1 . 2]" 1
420 1 30 TYR QB 1 31 LEU H . . 3.610 2.275 2.091 2.416 . 0 0 "[ . 1 . 2]" 1
421 1 30 TYR HB2 1 31 LEU H . . 4.230 3.680 3.359 3.848 . 0 0 "[ . 1 . 2]" 1
422 1 30 TYR HB3 1 31 LEU H . . 4.230 2.297 2.111 2.442 . 0 0 "[ . 1 . 2]" 1
423 1 30 TYR QD 1 31 LEU H . . 7.230 3.004 2.382 3.851 . 0 0 "[ . 1 . 2]" 1
424 1 30 TYR QD 1 31 LEU HA . . 7.630 3.646 3.187 4.618 . 0 0 "[ . 1 . 2]" 1
425 1 30 TYR QD 1 31 LEU QB . . 6.480 3.022 2.259 3.994 . 0 0 "[ . 1 . 2]" 1
426 1 30 TYR QD 1 31 LEU MD1 . . 8.550 4.082 2.972 4.958 . 0 0 "[ . 1 . 2]" 1
427 1 30 TYR QD 1 31 LEU QD . . 7.120 3.487 2.950 4.122 . 0 0 "[ . 1 . 2]" 1
428 1 30 TYR QD 1 31 LEU MD2 . . 8.550 4.115 3.431 4.989 . 0 0 "[ . 1 . 2]" 1
429 1 30 TYR QD 1 31 LEU HG . . 7.630 4.134 2.642 5.823 . 0 0 "[ . 1 . 2]" 1
430 1 30 TYR QD 1 32 LYS H . . 7.600 4.923 4.579 5.369 . 0 0 "[ . 1 . 2]" 1
431 1 30 TYR QD 1 33 THR H . . 7.630 5.771 5.482 6.089 . 0 0 "[ . 1 . 2]" 1
432 1 30 TYR QD 1 33 THR MG . . 8.650 4.602 4.044 5.522 . 0 0 "[ . 1 . 2]" 1
433 1 30 TYR QD 1 34 VAL H . . 7.630 5.251 4.893 5.469 . 0 0 "[ . 1 . 2]" 1
434 1 30 TYR QD 1 34 VAL MG1 . . 8.650 4.673 4.082 4.794 . 0 0 "[ . 1 . 2]" 1
435 1 30 TYR QD 1 34 VAL QG . . 7.540 3.089 2.774 3.434 . 0 0 "[ . 1 . 2]" 1
436 1 30 TYR QD 1 34 VAL MG2 . . 8.650 3.141 2.796 3.579 . 0 0 "[ . 1 . 2]" 1
437 1 30 TYR QE 1 31 LEU H . . 7.630 5.122 4.537 5.884 . 0 0 "[ . 1 . 2]" 1
438 1 30 TYR QE 1 31 LEU QD . . 8.440 4.718 4.013 5.380 . 0 0 "[ . 1 . 2]" 1
439 1 30 TYR QE 1 32 LYS H . . 7.630 6.619 6.232 7.141 . 0 0 "[ . 1 . 2]" 1
440 1 30 TYR QE 1 33 THR MG . . 8.650 5.682 5.238 6.273 . 0 0 "[ . 1 . 2]" 1
441 1 30 TYR QE 1 34 VAL HA . . 7.630 6.642 6.024 7.051 . 0 0 "[ . 1 . 2]" 1
442 1 30 TYR QE 1 34 VAL MG1 . . 8.650 4.065 3.569 4.446 . 0 0 "[ . 1 . 2]" 1
443 1 30 TYR QE 1 34 VAL QG . . 7.270 3.161 2.617 3.499 . 0 0 "[ . 1 . 2]" 1
444 1 30 TYR QE 1 34 VAL MG2 . . 8.650 3.320 2.663 3.809 . 0 0 "[ . 1 . 2]" 1
445 1 31 LEU H 1 31 LEU HB2 . . 3.920 3.564 3.530 3.585 . 0 0 "[ . 1 . 2]" 1
446 1 31 LEU H 1 31 LEU QB . . 3.420 2.719 2.215 2.820 . 0 0 "[ . 1 . 2]" 1
447 1 31 LEU H 1 31 LEU HB3 . . 3.920 2.832 2.238 2.954 . 0 0 "[ . 1 . 2]" 1
448 1 31 LEU H 1 32 LYS H . . 3.270 2.589 2.539 2.689 . 0 0 "[ . 1 . 2]" 1
449 1 31 LEU H 1 33 THR H . . 4.660 4.430 4.293 4.615 . 0 0 "[ . 1 . 2]" 1
450 1 31 LEU H 1 34 VAL QG . . 6.420 4.616 4.568 4.651 . 0 0 "[ . 1 . 2]" 1
451 1 31 LEU HA 1 34 VAL H . . 4.200 3.800 3.723 3.997 . 0 0 "[ . 1 . 2]" 1
452 1 31 LEU HA 1 34 VAL HB . . 3.330 2.981 2.847 3.245 . 0 0 "[ . 1 . 2]" 1
453 1 31 LEU HA 1 34 VAL MG1 . . 6.520 4.230 3.984 4.563 . 0 0 "[ . 1 . 2]" 1
454 1 31 LEU HA 1 34 VAL QG . . 5.390 3.649 3.526 3.860 . 0 0 "[ . 1 . 2]" 1
455 1 31 LEU HA 1 34 VAL MG2 . . 6.520 3.992 3.842 4.169 . 0 0 "[ . 1 . 2]" 1
456 1 31 LEU HA 1 35 TYR H . . 4.260 3.426 3.195 3.784 . 0 0 "[ . 1 . 2]" 1
457 1 31 LEU MD1 1 35 TYR QD . . 8.650 5.099 4.513 5.446 . 0 0 "[ . 1 . 2]" 1
458 1 31 LEU MD1 1 35 TYR QE . . 8.650 6.055 4.859 6.500 . 0 0 "[ . 1 . 2]" 1
459 1 31 LEU MD2 1 35 TYR QD . . 8.650 5.225 4.440 5.846 . 0 0 "[ . 1 . 2]" 1
460 1 31 LEU MD2 1 35 TYR QE . . 8.650 6.077 5.592 6.481 . 0 0 "[ . 1 . 2]" 1
461 1 32 LYS H 1 32 LYS HB2 . . 3.360 2.672 2.644 2.715 . 0 0 "[ . 1 . 2]" 1
462 1 32 LYS H 1 32 LYS HB3 . . 3.360 2.719 2.675 2.735 . 0 0 "[ . 1 . 2]" 1
463 1 32 LYS H 1 32 LYS QE . . 6.380 5.095 4.246 5.729 . 0 0 "[ . 1 . 2]" 1
464 1 32 LYS H 1 33 THR H . . 3.330 2.114 2.058 2.146 . 0 0 "[ . 1 . 2]" 1
465 1 32 LYS H 1 33 THR MG . . 6.270 3.642 3.387 5.346 . 0 0 "[ . 1 . 2]" 1
466 1 32 LYS H 1 34 VAL H . . 4.170 3.384 3.288 3.520 . 0 0 "[ . 1 . 2]" 1
467 1 32 LYS HA 1 35 TYR H . . 4.290 4.118 3.983 4.223 . 0 0 "[ . 1 . 2]" 1
468 1 32 LYS HA 1 35 TYR HB2 . . 3.790 3.763 3.478 3.829 0.039 17 0 "[ . 1 . 2]" 1
469 1 32 LYS HA 1 35 TYR HB3 . . 3.790 3.878 3.819 3.949 0.159 18 0 "[ . 1 . 2]" 1
470 1 32 LYS HA 1 35 TYR QD . . 7.630 5.216 5.015 5.326 . 0 0 "[ . 1 . 2]" 1
471 1 32 LYS HA 1 35 TYR QE . . 7.630 7.015 6.813 7.094 . 0 0 "[ . 1 . 2]" 1
472 1 32 LYS QB 1 33 THR H . . 3.650 2.644 2.508 2.833 . 0 0 "[ . 1 . 2]" 1
473 1 32 LYS HB2 1 33 THR H . . 4.420 3.763 3.685 3.884 . 0 0 "[ . 1 . 2]" 1
474 1 32 LYS HB3 1 33 THR H . . 4.420 2.701 2.553 2.911 . 0 0 "[ . 1 . 2]" 1
475 1 32 LYS QG 1 33 THR H . . 6.380 4.044 3.911 4.221 . 0 0 "[ . 1 . 2]" 1
476 1 32 LYS QG 1 35 TYR H . . 6.380 5.623 5.405 5.741 . 0 0 "[ . 1 . 2]" 1
477 1 33 THR H 1 33 THR HB . . 3.210 2.731 2.348 2.828 . 0 0 "[ . 1 . 2]" 1
478 1 33 THR H 1 34 VAL H . . 3.240 2.213 2.193 2.262 . 0 0 "[ . 1 . 2]" 1
479 1 33 THR H 1 34 VAL MG1 . . 6.520 5.538 5.509 5.567 . 0 0 "[ . 1 . 2]" 1
480 1 33 THR H 1 34 VAL MG2 . . 6.520 3.763 3.480 3.962 . 0 0 "[ . 1 . 2]" 1
481 1 33 THR H 1 35 TYR H . . 4.140 3.679 3.588 3.925 . 0 0 "[ . 1 . 2]" 1
482 1 33 THR H 1 37 HIS HD2 . . 5.500 5.515 5.482 5.605 0.105 11 0 "[ . 1 . 2]" 1
483 1 33 THR HA 1 33 THR MG . . 3.700 3.129 2.514 3.199 . 0 0 "[ . 1 . 2]" 1
484 1 33 THR HA 1 36 GLN H . . 3.830 3.541 3.446 3.678 . 0 0 "[ . 1 . 2]" 1
485 1 33 THR HA 1 36 GLN HB2 . . 3.520 3.568 3.536 3.607 0.087 7 0 "[ . 1 . 2]" 1
486 1 33 THR HA 1 36 GLN HB3 . . 3.520 3.568 3.536 3.605 0.085 7 0 "[ . 1 . 2]" 1
487 1 33 THR HA 1 37 HIS H . . 3.830 3.889 3.869 3.953 0.123 7 0 "[ . 1 . 2]" 1
488 1 33 THR HB 1 34 VAL H . . 4.290 3.806 2.770 3.954 . 0 0 "[ . 1 . 2]" 1
489 1 33 THR MG 1 34 VAL H . . 5.990 2.026 1.880 3.193 . 0 0 "[ . 1 . 2]" 1
490 1 33 THR MG 1 36 GLN H . . 6.270 4.808 4.446 4.874 . 0 0 "[ . 1 . 2]" 1
491 1 33 THR MG 1 37 HIS HD2 . . 5.090 3.922 2.034 4.235 . 0 0 "[ . 1 . 2]" 1
492 1 34 VAL H 1 34 VAL HB . . 3.170 2.499 2.431 2.634 . 0 0 "[ . 1 . 2]" 1
493 1 34 VAL H 1 34 VAL QG . . 3.940 2.193 1.928 2.348 . 0 0 "[ . 1 . 2]" 1
494 1 34 VAL H 1 35 TYR H . . 3.360 2.520 2.502 2.589 . 0 0 "[ . 1 . 2]" 1
495 1 34 VAL HA 1 35 TYR H . . 3.480 3.494 3.458 3.544 0.064 7 0 "[ . 1 . 2]" 1
496 1 34 VAL HA 1 36 GLN H . . 3.950 3.913 3.791 3.973 0.023 11 0 "[ . 1 . 2]" 1
497 1 34 VAL HA 1 37 HIS H . . 3.480 3.304 3.145 3.353 . 0 0 "[ . 1 . 2]" 1
498 1 34 VAL HA 1 37 HIS HB2 . . 4.010 2.674 2.653 2.718 . 0 0 "[ . 1 . 2]" 1
499 1 34 VAL HA 1 37 HIS QB . . 3.450 2.640 2.620 2.680 . 0 0 "[ . 1 . 2]" 1
500 1 34 VAL HA 1 37 HIS HB3 . . 4.010 4.063 4.053 4.075 0.065 20 0 "[ . 1 . 2]" 1
501 1 34 VAL HA 1 37 HIS HD2 . . 5.500 4.674 4.653 4.747 . 0 0 "[ . 1 . 2]" 1
502 1 34 VAL HA 1 38 GLN H . . 3.240 2.590 2.255 2.692 . 0 0 "[ . 1 . 2]" 1
503 1 34 VAL QG 1 35 TYR H . . 4.400 3.323 3.163 3.386 . 0 0 "[ . 1 . 2]" 1
504 1 34 VAL QG 1 35 TYR HA . . 5.500 3.484 3.369 3.701 . 0 0 "[ . 1 . 2]" 1
505 1 34 VAL QG 1 37 HIS QB . . 5.610 3.650 3.634 3.681 . 0 0 "[ . 1 . 2]" 1
506 1 34 VAL QG 1 38 GLN QB . . 5.610 1.914 1.834 1.988 . 0 0 "[ . 1 . 2]" 1
507 1 34 VAL QG 1 38 GLN QE . . 6.180 3.117 2.249 3.279 . 0 0 "[ . 1 . 2]" 1
508 1 34 VAL MG1 1 35 TYR H . . 5.500 3.604 3.345 3.799 . 0 0 "[ . 1 . 2]" 1
509 1 34 VAL MG1 1 35 TYR HA . . 6.460 3.529 3.402 3.771 . 0 0 "[ . 1 . 2]" 1
510 1 34 VAL MG1 1 35 TYR QD . . 8.650 4.480 4.051 5.154 . 0 0 "[ . 1 . 2]" 1
511 1 34 VAL MG1 1 37 HIS H . . 6.520 4.705 4.455 4.771 . 0 0 "[ . 1 . 2]" 1
512 1 34 VAL MG1 1 38 GLN H . . 6.520 3.218 2.967 3.321 . 0 0 "[ . 1 . 2]" 1
513 1 34 VAL MG1 1 38 GLN HG2 . . 6.520 3.564 2.372 3.798 . 0 0 "[ . 1 . 2]" 1
514 1 34 VAL MG1 1 38 GLN HG3 . . 6.520 2.820 2.407 4.201 . 0 0 "[ . 1 . 2]" 1
515 1 34 VAL MG2 1 35 TYR H . . 5.500 3.915 3.759 4.032 . 0 0 "[ . 1 . 2]" 1
516 1 34 VAL MG2 1 35 TYR HA . . 6.460 5.411 5.373 5.445 . 0 0 "[ . 1 . 2]" 1
517 1 34 VAL MG2 1 35 TYR QD . . 8.650 5.915 5.687 6.144 . 0 0 "[ . 1 . 2]" 1
518 1 34 VAL MG2 1 37 HIS H . . 6.520 5.034 4.911 5.072 . 0 0 "[ . 1 . 2]" 1
519 1 34 VAL MG2 1 38 GLN H . . 6.520 4.366 3.889 4.491 . 0 0 "[ . 1 . 2]" 1
520 1 34 VAL MG2 1 38 GLN HG2 . . 6.520 5.225 4.079 5.333 . 0 0 "[ . 1 . 2]" 1
521 1 34 VAL MG2 1 38 GLN HG3 . . 6.520 4.585 4.346 5.328 . 0 0 "[ . 1 . 2]" 1
522 1 35 TYR H 1 35 TYR HB2 . . 3.420 2.208 2.163 2.244 . 0 0 "[ . 1 . 2]" 1
523 1 35 TYR H 1 35 TYR HB3 . . 3.420 2.956 2.898 3.026 . 0 0 "[ . 1 . 2]" 1
524 1 35 TYR H 1 36 GLN H . . 3.270 2.502 2.413 2.668 . 0 0 "[ . 1 . 2]" 1
525 1 35 TYR HA 1 38 GLN H . . 5.500 4.843 4.727 5.282 . 0 0 "[ . 1 . 2]" 1
526 1 35 TYR QE 1 36 GLN HA . . 7.630 6.351 6.058 6.637 . 0 0 "[ . 1 . 2]" 1
527 1 36 GLN H 1 36 GLN HB2 . . 3.520 2.436 2.376 2.463 . 0 0 "[ . 1 . 2]" 1
528 1 36 GLN H 1 36 GLN HB3 . . 3.520 2.927 2.916 2.943 . 0 0 "[ . 1 . 2]" 1
529 1 36 GLN H 1 37 HIS H . . 3.210 2.179 2.149 2.263 . 0 0 "[ . 1 . 2]" 1
530 1 36 GLN H 1 37 HIS HD2 . . 5.500 4.178 4.135 4.298 . 0 0 "[ . 1 . 2]" 1
531 1 36 GLN HA 1 36 GLN QE . . 5.340 3.763 2.236 4.696 . 0 0 "[ . 1 . 2]" 1
532 1 36 GLN HA 1 37 HIS HD2 . . 5.500 5.508 5.425 5.521 0.021 16 0 "[ . 1 . 2]" 1
533 1 36 GLN QB 1 37 HIS H . . 3.260 2.655 2.611 2.709 . 0 0 "[ . 1 . 2]" 1
534 1 36 GLN QG 1 37 HIS H . . 5.190 4.265 4.194 4.447 . 0 0 "[ . 1 . 2]" 1
535 1 37 HIS H 1 37 HIS HB2 . . 3.450 2.241 2.229 2.281 . 0 0 "[ . 1 . 2]" 1
536 1 37 HIS H 1 37 HIS HB3 . . 3.450 3.532 3.524 3.558 0.108 7 0 "[ . 1 . 2]" 1
537 1 37 HIS H 1 37 HIS HD2 . . 4.760 2.888 2.843 2.967 . 0 0 "[ . 1 . 2]" 1
538 1 37 HIS H 1 38 GLN H . . 3.860 2.787 2.739 2.902 . 0 0 "[ . 1 . 2]" 1
539 1 37 HIS HA 1 37 HIS HD2 . . 3.830 3.753 3.708 3.860 0.030 7 0 "[ . 1 . 2]" 1
540 1 37 HIS QB 1 38 GLN H . . 3.200 2.193 2.059 2.236 . 0 0 "[ . 1 . 2]" 1
541 1 37 HIS HB2 1 38 GLN H . . 3.920 2.298 2.150 2.340 . 0 0 "[ . 1 . 2]" 1
542 1 37 HIS HB3 1 38 GLN H . . 3.920 2.777 2.578 2.838 . 0 0 "[ . 1 . 2]" 1
543 1 37 HIS HD2 1 38 GLN H . . 5.500 4.924 4.830 4.956 . 0 0 "[ . 1 . 2]" 1
544 1 38 GLN H 1 38 GLN HB2 . . 3.170 2.110 2.063 2.924 . 0 0 "[ . 1 . 2]" 1
545 1 38 GLN H 1 38 GLN HB3 . . 3.170 3.158 2.288 3.282 0.112 12 0 "[ . 1 . 2]" 1
546 1 38 GLN H 1 38 GLN HG2 . . 4.910 3.918 3.735 4.568 . 0 0 "[ . 1 . 2]" 1
547 1 38 GLN H 1 38 GLN QG . . 4.070 3.531 3.473 3.858 . 0 0 "[ . 1 . 2]" 1
548 1 38 GLN H 1 38 GLN HG3 . . 4.910 4.091 3.749 4.387 . 0 0 "[ . 1 . 2]" 1
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