NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
564052 |
2lqb   |
18301 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lqb
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 886
_Distance_constraint_stats_list.Viol_count 1325
_Distance_constraint_stats_list.Viol_total 1511.626
_Distance_constraint_stats_list.Viol_max 0.562
_Distance_constraint_stats_list.Viol_rms 0.0244
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.0570
_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 5 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLU 1.961 0.168 8 0 "[ . 1 . 2]"
1 7 ALA 0.966 0.085 12 0 "[ . 1 . 2]"
1 8 VAL 7.368 0.562 8 2 "[ . + 1 . *2]"
1 9 VAL 2.554 0.332 14 0 "[ . 1 . 2]"
1 10 LYS 2.796 0.332 14 0 "[ . 1 . 2]"
1 11 LEU 1.239 0.160 14 0 "[ . 1 . 2]"
1 12 ARG 2.113 0.418 5 0 "[ . 1 . 2]"
1 13 VAL 3.956 0.139 17 0 "[ . 1 . 2]"
1 14 GLU 0.272 0.030 14 0 "[ . 1 . 2]"
1 15 GLY 0.201 0.067 17 0 "[ . 1 . 2]"
1 16 MET 0.985 0.092 7 0 "[ . 1 . 2]"
1 21 CYS 0.976 0.092 7 0 "[ . 1 . 2]"
1 22 VAL 0.482 0.086 20 0 "[ . 1 . 2]"
1 23 SER 0.118 0.059 2 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ILE 1.870 0.465 20 0 "[ . 1 . 2]"
1 26 GLU 0.182 0.059 2 0 "[ . 1 . 2]"
1 27 GLY 0.183 0.046 1 0 "[ . 1 . 2]"
1 28 LYS 1.680 0.132 14 0 "[ . 1 . 2]"
1 29 VAL 3.807 0.216 19 0 "[ . 1 . 2]"
1 30 ARG 1.394 0.176 8 0 "[ . 1 . 2]"
1 31 LYS 2.504 0.322 11 0 "[ . 1 . 2]"
1 32 LEU 0.996 0.116 1 0 "[ . 1 . 2]"
1 33 GLN 0.203 0.038 2 0 "[ . 1 . 2]"
1 34 GLY 1.875 0.148 12 0 "[ . 1 . 2]"
1 35 VAL 3.370 0.177 15 0 "[ . 1 . 2]"
1 36 VAL 4.741 0.208 4 0 "[ . 1 . 2]"
1 37 ARG 2.668 0.119 20 0 "[ . 1 . 2]"
1 38 VAL 1.879 0.216 19 0 "[ . 1 . 2]"
1 39 LYS 2.658 0.335 7 0 "[ . 1 . 2]"
1 40 VAL 2.710 0.335 7 0 "[ . 1 . 2]"
1 41 SER 2.628 0.121 6 0 "[ . 1 . 2]"
1 42 LEU 0.013 0.007 20 0 "[ . 1 . 2]"
1 44 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLN 1.497 0.113 16 0 "[ . 1 . 2]"
1 46 GLU 2.799 0.160 14 0 "[ . 1 . 2]"
1 47 ALA 0.883 0.076 8 0 "[ . 1 . 2]"
1 48 VAL 0.659 0.159 13 0 "[ . 1 . 2]"
1 49 ILE 0.370 0.138 19 0 "[ . 1 . 2]"
1 50 THR 1.884 0.091 8 0 "[ . 1 . 2]"
1 51 TYR 11.284 0.562 8 2 "[ . + 1 . *2]"
1 52 GLN 3.825 0.208 4 0 "[ . 1 . 2]"
1 54 TYR 3.027 0.293 12 0 "[ . 1 . 2]"
1 55 LEU 2.487 0.202 12 0 "[ . 1 . 2]"
1 56 ILE 8.242 0.177 15 0 "[ . 1 . 2]"
1 57 GLN 3.082 0.101 9 0 "[ . 1 . 2]"
1 58 PRO 0.520 0.037 5 0 "[ . 1 . 2]"
1 59 GLU 1.638 0.101 9 0 "[ . 1 . 2]"
1 60 ASP 5.046 0.187 8 0 "[ . 1 . 2]"
1 61 LEU 3.034 0.118 19 0 "[ . 1 . 2]"
1 62 ARG 0.832 0.050 18 0 "[ . 1 . 2]"
1 63 ASP 0.909 0.089 16 0 "[ . 1 . 2]"
1 64 HIS 0.356 0.088 16 0 "[ . 1 . 2]"
1 65 VAL 0.318 0.059 11 0 "[ . 1 . 2]"
1 66 ASN 2.759 0.127 7 0 "[ . 1 . 2]"
1 67 ASP 0.011 0.005 12 0 "[ . 1 . 2]"
1 68 MET 3.780 0.174 16 0 "[ . 1 . 2]"
1 69 GLY 1.086 0.113 20 0 "[ . 1 . 2]"
1 70 PHE 1.143 0.139 17 0 "[ . 1 . 2]"
1 71 GLU 7.389 0.468 7 0 "[ . 1 . 2]"
1 72 ALA 5.724 0.468 7 0 "[ . 1 . 2]"
1 73 ALA 1.321 0.247 5 0 "[ . 1 . 2]"
1 74 ILE 0.713 0.205 4 0 "[ . 1 . 2]"
1 75 LYS 1.513 0.551 4 1 "[ +. 1 . 2]"
1 76 SER 0.811 0.551 4 1 "[ +. 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 5 GLN H 1 6 GLU H . . 4.380 2.406 2.179 2.607 . 0 0 "[ . 1 . 2]" 1
2 1 6 GLU H 1 6 GLU QB . . 2.650 2.567 2.396 2.694 0.044 13 0 "[ . 1 . 2]" 1
3 1 6 GLU H 1 6 GLU HG2 . . 3.600 2.566 1.943 3.626 0.026 9 0 "[ . 1 . 2]" 1
4 1 6 GLU H 1 6 GLU QG . . 3.130 2.120 1.914 2.531 . 0 0 "[ . 1 . 2]" 1
5 1 6 GLU H 1 6 GLU HG3 . . 3.600 2.842 1.938 3.682 0.082 15 0 "[ . 1 . 2]" 1
6 1 6 GLU H 1 7 ALA H . . 4.830 4.601 4.522 4.638 . 0 0 "[ . 1 . 2]" 1
7 1 6 GLU HA 1 6 GLU QG . . 3.620 3.162 2.551 3.428 . 0 0 "[ . 1 . 2]" 1
8 1 6 GLU HA 1 7 ALA H . . 2.620 2.212 2.201 2.275 . 0 0 "[ . 1 . 2]" 1
9 1 6 GLU HA 1 51 TYR H . . 5.500 5.566 5.527 5.668 0.168 8 0 "[ . 1 . 2]" 1
10 1 6 GLU QB 1 7 ALA H . . 3.060 2.907 2.701 2.943 . 0 0 "[ . 1 . 2]" 1
11 1 6 GLU QB 1 50 THR MG . . 3.180 3.042 2.251 3.215 0.035 19 0 "[ . 1 . 2]" 1
12 1 6 GLU QB 1 51 TYR H . . 4.880 4.404 4.039 4.591 . 0 0 "[ . 1 . 2]" 1
13 1 6 GLU QB 1 52 GLN H . . 4.870 4.763 4.410 4.926 0.056 13 0 "[ . 1 . 2]" 1
14 1 6 GLU QG 1 7 ALA H . . 4.400 4.123 3.690 4.405 0.005 13 0 "[ . 1 . 2]" 1
15 1 6 GLU QG 1 50 THR MG . . 4.230 3.785 2.520 4.302 0.072 8 0 "[ . 1 . 2]" 1
16 1 7 ALA H 1 7 ALA MB . . 2.790 2.402 2.223 2.552 . 0 0 "[ . 1 . 2]" 1
17 1 7 ALA H 1 8 VAL H . . 4.470 4.469 4.394 4.533 0.063 13 0 "[ . 1 . 2]" 1
18 1 7 ALA H 1 8 VAL HA . . 5.500 4.940 4.860 5.128 . 0 0 "[ . 1 . 2]" 1
19 1 7 ALA H 1 51 TYR H . . 3.990 3.929 3.704 4.055 0.065 19 0 "[ . 1 . 2]" 1
20 1 7 ALA H 1 52 GLN H . . 4.850 4.802 4.706 4.911 0.061 13 0 "[ . 1 . 2]" 1
21 1 7 ALA H 1 52 GLN HA . . 3.580 2.625 2.570 2.715 . 0 0 "[ . 1 . 2]" 1
22 1 7 ALA H 1 52 GLN QB . . 4.640 4.630 4.441 4.725 0.085 12 0 "[ . 1 . 2]" 1
23 1 7 ALA HA 1 8 VAL H . . 2.400 2.253 2.192 2.343 . 0 0 "[ . 1 . 2]" 1
24 1 7 ALA MB 1 8 VAL H . . 2.920 2.783 2.563 2.919 . 0 0 "[ . 1 . 2]" 1
25 1 7 ALA MB 1 51 TYR QE . . 3.500 2.430 2.137 2.932 . 0 0 "[ . 1 . 2]" 1
26 1 8 VAL H 1 8 VAL HB . . 3.220 2.831 2.751 3.286 0.066 19 0 "[ . 1 . 2]" 1
27 1 8 VAL H 1 8 VAL QG . . 2.750 2.582 2.116 2.672 . 0 0 "[ . 1 . 2]" 1
28 1 8 VAL H 1 9 VAL H . . 4.470 4.438 4.412 4.472 0.002 14 0 "[ . 1 . 2]" 1
29 1 8 VAL H 1 50 THR MG . . 4.910 4.501 4.148 4.657 . 0 0 "[ . 1 . 2]" 1
30 1 8 VAL H 1 51 TYR QE . . 5.090 4.542 4.159 5.098 0.008 19 0 "[ . 1 . 2]" 1
31 1 8 VAL HA 1 9 VAL H . . 2.560 2.218 2.185 2.281 . 0 0 "[ . 1 . 2]" 1
32 1 8 VAL HA 1 9 VAL HA . . 4.430 4.409 4.402 4.418 . 0 0 "[ . 1 . 2]" 1
33 1 8 VAL HA 1 9 VAL QG . . 3.710 3.426 3.167 3.635 . 0 0 "[ . 1 . 2]" 1
34 1 8 VAL HA 1 50 THR HA . . 3.200 2.149 2.051 2.385 . 0 0 "[ . 1 . 2]" 1
35 1 8 VAL HA 1 51 TYR H . . 3.730 2.700 2.637 2.747 . 0 0 "[ . 1 . 2]" 1
36 1 8 VAL HA 1 51 TYR HA . . 5.500 5.598 5.538 5.632 0.132 2 0 "[ . 1 . 2]" 1
37 1 8 VAL HA 1 51 TYR QD . . 3.510 2.927 2.683 3.062 . 0 0 "[ . 1 . 2]" 1
38 1 8 VAL HA 1 51 TYR QE . . 4.500 4.050 3.680 4.243 . 0 0 "[ . 1 . 2]" 1
39 1 8 VAL HB 1 9 VAL H . . 4.250 3.848 3.533 3.949 . 0 0 "[ . 1 . 2]" 1
40 1 8 VAL HB 1 50 THR HA . . 4.250 3.942 1.910 4.331 0.081 13 0 "[ . 1 . 2]" 1
41 1 8 VAL HB 1 51 TYR H . . 5.280 5.200 3.240 5.488 0.208 14 0 "[ . 1 . 2]" 1
42 1 8 VAL QG 1 9 VAL H . . 3.250 2.249 1.895 2.436 . 0 0 "[ . 1 . 2]" 1
43 1 8 VAL QG 1 49 ILE H . . 3.780 2.942 2.587 3.136 . 0 0 "[ . 1 . 2]" 1
44 1 8 VAL QG 1 50 THR H . . 3.170 3.116 3.053 3.207 0.037 13 0 "[ . 1 . 2]" 1
45 1 8 VAL QG 1 51 TYR H . . 3.090 3.118 2.961 3.652 0.562 8 2 "[ . + 1 . -2]" 1
46 1 8 VAL MG1 1 9 VAL H . . 4.230 2.441 1.898 3.990 . 0 0 "[ . 1 . 2]" 1
47 1 8 VAL MG1 1 51 TYR H . . 4.060 3.902 3.775 4.564 0.504 8 1 "[ . + 1 . 2]" 1
48 1 8 VAL MG2 1 9 VAL H . . 4.230 3.866 2.038 4.099 . 0 0 "[ . 1 . 2]" 1
49 1 8 VAL MG2 1 51 TYR H . . 4.060 3.282 3.071 3.843 . 0 0 "[ . 1 . 2]" 1
50 1 9 VAL H 1 9 VAL MG1 . . 4.040 3.070 1.994 3.906 . 0 0 "[ . 1 . 2]" 1
51 1 9 VAL H 1 9 VAL QG . . 2.880 2.362 1.987 2.785 . 0 0 "[ . 1 . 2]" 1
52 1 9 VAL H 1 9 VAL MG2 . . 4.040 3.041 2.229 3.899 . 0 0 "[ . 1 . 2]" 1
53 1 9 VAL H 1 10 LYS H . . 4.610 4.180 2.262 4.475 . 0 0 "[ . 1 . 2]" 1
54 1 9 VAL H 1 48 VAL HA . . 5.080 4.945 4.784 5.113 0.033 13 0 "[ . 1 . 2]" 1
55 1 9 VAL H 1 49 ILE H . . 3.440 3.268 3.072 3.578 0.138 19 0 "[ . 1 . 2]" 1
56 1 9 VAL H 1 49 ILE HB . . 4.130 3.595 3.317 4.118 . 0 0 "[ . 1 . 2]" 1
57 1 9 VAL H 1 49 ILE MG . . 4.750 4.259 3.939 4.704 . 0 0 "[ . 1 . 2]" 1
58 1 9 VAL H 1 50 THR HA . . 4.180 3.419 3.290 3.803 . 0 0 "[ . 1 . 2]" 1
59 1 9 VAL H 1 50 THR MG . . 5.260 5.059 4.927 5.274 0.014 13 0 "[ . 1 . 2]" 1
60 1 9 VAL H 1 51 TYR H . . 4.500 4.265 4.152 4.454 . 0 0 "[ . 1 . 2]" 1
61 1 9 VAL H 1 51 TYR QD . . 4.030 3.801 3.609 3.948 . 0 0 "[ . 1 . 2]" 1
62 1 9 VAL HA 1 9 VAL QG . . 2.850 2.195 2.035 2.399 . 0 0 "[ . 1 . 2]" 1
63 1 9 VAL HA 1 10 LYS H . . 2.730 2.270 2.167 3.062 0.332 14 0 "[ . 1 . 2]" 1
64 1 9 VAL HA 1 10 LYS HB3 . . 4.780 4.682 4.466 5.104 0.324 13 0 "[ . 1 . 2]" 1
65 1 9 VAL QG 1 10 LYS H . . 2.820 2.459 2.088 3.103 0.283 13 0 "[ . 1 . 2]" 1
66 1 9 VAL QG 1 10 LYS QG . . 5.220 3.812 3.247 5.186 . 0 0 "[ . 1 . 2]" 1
67 1 9 VAL QG 1 49 ILE H . . 5.440 3.708 2.914 4.342 . 0 0 "[ . 1 . 2]" 1
68 1 9 VAL QG 1 51 TYR H . . 5.130 4.490 4.154 4.890 . 0 0 "[ . 1 . 2]" 1
69 1 9 VAL QG 1 51 TYR QD . . 3.460 3.224 2.774 3.492 0.032 17 0 "[ . 1 . 2]" 1
70 1 9 VAL QG 1 51 TYR QE . . 4.030 2.933 2.321 3.911 . 0 0 "[ . 1 . 2]" 1
71 1 9 VAL QG 1 61 LEU QD . . 2.670 2.253 1.590 2.692 0.022 19 0 "[ . 1 . 2]" 1
72 1 9 VAL MG1 1 10 LYS H . . 4.160 3.147 2.095 4.223 0.063 13 0 "[ . 1 . 2]" 1
73 1 9 VAL MG1 1 51 TYR QE . . 5.320 4.248 2.331 5.223 . 0 0 "[ . 1 . 2]" 1
74 1 9 VAL MG2 1 10 LYS H . . 4.160 3.348 2.110 4.088 . 0 0 "[ . 1 . 2]" 1
75 1 9 VAL MG2 1 51 TYR QE . . 5.320 3.700 2.421 5.246 . 0 0 "[ . 1 . 2]" 1
76 1 10 LYS H 1 10 LYS HB2 . . 3.710 3.660 3.537 3.719 0.009 2 0 "[ . 1 . 2]" 1
77 1 10 LYS H 1 10 LYS HB3 . . 3.300 3.014 2.255 3.219 . 0 0 "[ . 1 . 2]" 1
78 1 10 LYS H 1 10 LYS QD . . 3.620 2.449 1.986 3.625 0.005 15 0 "[ . 1 . 2]" 1
79 1 10 LYS H 1 11 LEU H . . 4.500 4.450 4.422 4.536 0.036 14 0 "[ . 1 . 2]" 1
80 1 10 LYS HA 1 10 LYS HB2 . . 2.970 2.505 2.328 2.577 . 0 0 "[ . 1 . 2]" 1
81 1 10 LYS HA 1 10 LYS HB3 . . 2.890 2.401 2.339 2.592 . 0 0 "[ . 1 . 2]" 1
82 1 10 LYS HA 1 10 LYS QD . . 4.180 3.709 3.523 4.163 . 0 0 "[ . 1 . 2]" 1
83 1 10 LYS HA 1 10 LYS QG . . 3.550 3.410 3.344 3.439 . 0 0 "[ . 1 . 2]" 1
84 1 10 LYS HA 1 11 LEU H . . 2.540 2.167 2.159 2.187 . 0 0 "[ . 1 . 2]" 1
85 1 10 LYS HA 1 11 LEU QD . . 4.630 3.291 2.850 4.120 . 0 0 "[ . 1 . 2]" 1
86 1 10 LYS HA 1 48 VAL HA . . 2.750 2.122 1.931 2.308 . 0 0 "[ . 1 . 2]" 1
87 1 10 LYS HA 1 48 VAL MG2 . . 3.340 3.149 2.576 3.499 0.159 13 0 "[ . 1 . 2]" 1
88 1 10 LYS HA 1 49 ILE H . . 3.260 3.066 2.307 3.295 0.035 19 0 "[ . 1 . 2]" 1
89 1 10 LYS HA 1 49 ILE MD . . 5.500 3.632 3.132 4.580 . 0 0 "[ . 1 . 2]" 1
90 1 10 LYS HB2 1 11 LEU H . . 3.580 3.209 3.103 3.266 . 0 0 "[ . 1 . 2]" 1
91 1 10 LYS HB3 1 11 LEU H . . 4.330 4.096 3.960 4.322 . 0 0 "[ . 1 . 2]" 1
92 1 10 LYS HB3 1 48 VAL HA . . 3.500 3.282 2.622 3.545 0.045 19 0 "[ . 1 . 2]" 1
93 1 10 LYS QG 1 11 LEU H . . 4.640 4.204 3.715 4.461 . 0 0 "[ . 1 . 2]" 1
94 1 11 LEU H 1 11 LEU HB2 . . 3.170 2.667 2.550 2.808 . 0 0 "[ . 1 . 2]" 1
95 1 11 LEU H 1 11 LEU HB3 . . 3.940 3.780 3.721 3.823 . 0 0 "[ . 1 . 2]" 1
96 1 11 LEU H 1 11 LEU MD1 . . 4.670 2.776 2.344 3.807 . 0 0 "[ . 1 . 2]" 1
97 1 11 LEU H 1 11 LEU QD . . 3.830 2.678 2.335 3.401 . 0 0 "[ . 1 . 2]" 1
98 1 11 LEU H 1 11 LEU MD2 . . 4.670 4.289 3.767 4.519 . 0 0 "[ . 1 . 2]" 1
99 1 11 LEU H 1 46 GLU HA . . 5.500 5.383 5.207 5.660 0.160 14 0 "[ . 1 . 2]" 1
100 1 11 LEU H 1 47 ALA HA . . 5.070 4.855 4.695 5.089 0.019 14 0 "[ . 1 . 2]" 1
101 1 11 LEU H 1 47 ALA MB . . 3.580 3.503 3.156 3.656 0.076 8 0 "[ . 1 . 2]" 1
102 1 11 LEU H 1 48 VAL HA . . 3.650 3.336 3.133 3.587 . 0 0 "[ . 1 . 2]" 1
103 1 11 LEU H 1 48 VAL MG2 . . 4.310 4.047 3.679 4.282 . 0 0 "[ . 1 . 2]" 1
104 1 11 LEU H 1 49 ILE MD . . 3.990 3.424 3.053 3.989 . 0 0 "[ . 1 . 2]" 1
105 1 11 LEU HA 1 11 LEU HB3 . . 2.760 2.442 2.356 2.535 . 0 0 "[ . 1 . 2]" 1
106 1 11 LEU HA 1 11 LEU QD . . 3.770 2.912 2.316 3.138 . 0 0 "[ . 1 . 2]" 1
107 1 11 LEU HA 1 11 LEU HG . . 3.120 2.634 2.366 3.156 0.036 14 0 "[ . 1 . 2]" 1
108 1 11 LEU HA 1 12 ARG H . . 2.750 2.318 2.207 2.638 . 0 0 "[ . 1 . 2]" 1
109 1 11 LEU HA 1 74 ILE HA . . 3.580 3.137 2.809 3.585 0.005 16 0 "[ . 1 . 2]" 1
110 1 11 LEU HA 1 74 ILE MG . . 4.630 4.504 4.287 4.672 0.042 3 0 "[ . 1 . 2]" 1
111 1 11 LEU HA 1 75 LYS H . . 3.180 2.672 2.451 3.074 . 0 0 "[ . 1 . 2]" 1
112 1 11 LEU HA 1 75 LYS HA . . 4.340 4.169 3.717 4.362 0.022 4 0 "[ . 1 . 2]" 1
113 1 11 LEU HB2 1 11 LEU QD . . 2.780 2.040 1.922 2.218 . 0 0 "[ . 1 . 2]" 1
114 1 11 LEU HB2 1 12 ARG H . . 3.900 3.743 2.911 3.944 0.044 5 0 "[ . 1 . 2]" 1
115 1 11 LEU HB3 1 11 LEU QD . . 2.570 2.059 1.929 2.178 . 0 0 "[ . 1 . 2]" 1
116 1 11 LEU HB3 1 12 ARG H . . 2.980 2.684 2.005 2.990 0.010 3 0 "[ . 1 . 2]" 1
117 1 11 LEU HB3 1 72 ALA HA . . 4.850 3.806 3.495 4.237 . 0 0 "[ . 1 . 2]" 1
118 1 11 LEU HB3 1 73 ALA H . . 3.620 2.620 2.373 3.117 . 0 0 "[ . 1 . 2]" 1
119 1 11 LEU HB3 1 74 ILE HA . . 3.670 3.583 3.060 3.719 0.049 20 0 "[ . 1 . 2]" 1
120 1 11 LEU QD 1 12 ARG H . . 4.900 3.870 3.420 4.180 . 0 0 "[ . 1 . 2]" 1
121 1 11 LEU QD 1 72 ALA MB . . 3.330 2.307 1.914 2.696 . 0 0 "[ . 1 . 2]" 1
122 1 11 LEU QD 1 73 ALA H . . 4.110 3.456 2.976 3.975 . 0 0 "[ . 1 . 2]" 1
123 1 11 LEU QD 1 73 ALA HA . . 3.730 2.980 2.373 3.640 . 0 0 "[ . 1 . 2]" 1
124 1 11 LEU QD 1 74 ILE HA . . 2.870 2.326 1.881 2.755 . 0 0 "[ . 1 . 2]" 1
125 1 11 LEU QD 1 75 LYS H . . 4.120 3.616 2.787 4.119 . 0 0 "[ . 1 . 2]" 1
126 1 12 ARG H 1 12 ARG HB2 . . 3.160 2.398 2.104 3.578 0.418 5 0 "[ . 1 . 2]" 1
127 1 12 ARG H 1 12 ARG QB . . 2.750 2.267 2.074 2.767 0.017 5 0 "[ . 1 . 2]" 1
128 1 12 ARG H 1 12 ARG HB3 . . 3.160 2.930 2.753 3.303 0.143 18 0 "[ . 1 . 2]" 1
129 1 12 ARG H 1 13 VAL H . . 4.560 4.450 4.366 4.580 0.020 4 0 "[ . 1 . 2]" 1
130 1 12 ARG H 1 72 ALA HA . . 4.930 4.440 4.092 4.864 . 0 0 "[ . 1 . 2]" 1
131 1 12 ARG H 1 73 ALA H . . 3.160 2.813 2.450 3.168 0.008 4 0 "[ . 1 . 2]" 1
132 1 12 ARG H 1 74 ILE HA . . 4.620 4.234 3.877 4.540 . 0 0 "[ . 1 . 2]" 1
133 1 12 ARG H 1 75 LYS H . . 3.880 3.890 3.598 3.970 0.090 17 0 "[ . 1 . 2]" 1
134 1 12 ARG H 1 75 LYS HA . . 4.550 3.906 3.585 4.147 . 0 0 "[ . 1 . 2]" 1
135 1 12 ARG HA 1 12 ARG QG . . 3.230 2.276 2.090 3.322 0.092 5 0 "[ . 1 . 2]" 1
136 1 12 ARG HA 1 13 VAL H . . 2.660 2.146 2.140 2.181 . 0 0 "[ . 1 . 2]" 1
137 1 12 ARG HA 1 46 GLU HA . . 3.160 2.772 2.433 3.069 . 0 0 "[ . 1 . 2]" 1
138 1 12 ARG HA 1 47 ALA H . . 3.980 3.470 3.300 3.764 . 0 0 "[ . 1 . 2]" 1
139 1 12 ARG QB 1 12 ARG QG . . 2.250 2.062 1.998 2.085 . 0 0 "[ . 1 . 2]" 1
140 1 12 ARG QB 1 72 ALA HA . . 5.330 4.611 4.524 4.823 . 0 0 "[ . 1 . 2]" 1
141 1 12 ARG QB 1 73 ALA H . . 3.740 3.525 3.219 3.987 0.247 5 0 "[ . 1 . 2]" 1
142 1 12 ARG HB2 1 73 ALA H . . 4.540 4.358 3.675 4.519 . 0 0 "[ . 1 . 2]" 1
143 1 12 ARG HB3 1 73 ALA H . . 4.540 3.752 3.330 4.648 0.108 5 0 "[ . 1 . 2]" 1
144 1 12 ARG QD 1 13 VAL H . . 5.240 4.776 2.426 5.203 . 0 0 "[ . 1 . 2]" 1
145 1 12 ARG QD 1 75 LYS HA . . 4.530 4.253 3.316 4.599 0.069 18 0 "[ . 1 . 2]" 1
146 1 13 VAL H 1 13 VAL HB . . 3.030 2.704 2.463 2.868 . 0 0 "[ . 1 . 2]" 1
147 1 13 VAL H 1 13 VAL MG1 . . 3.970 3.807 3.773 3.845 . 0 0 "[ . 1 . 2]" 1
148 1 13 VAL H 1 13 VAL QG . . 3.200 2.271 2.134 2.669 . 0 0 "[ . 1 . 2]" 1
149 1 13 VAL H 1 13 VAL MG2 . . 3.970 2.291 2.145 2.729 . 0 0 "[ . 1 . 2]" 1
150 1 13 VAL H 1 45 GLN HA . . 5.500 5.235 5.084 5.479 . 0 0 "[ . 1 . 2]" 1
151 1 13 VAL H 1 45 GLN QB . . 4.720 4.473 4.272 4.742 0.022 15 0 "[ . 1 . 2]" 1
152 1 13 VAL H 1 46 GLU H . . 5.130 4.877 4.619 5.196 0.066 18 0 "[ . 1 . 2]" 1
153 1 13 VAL H 1 46 GLU HA . . 3.400 2.335 1.919 3.066 . 0 0 "[ . 1 . 2]" 1
154 1 13 VAL H 1 47 ALA H . . 3.750 3.585 3.101 3.775 0.025 17 0 "[ . 1 . 2]" 1
155 1 13 VAL H 1 72 ALA HA . . 5.500 4.477 3.902 4.943 . 0 0 "[ . 1 . 2]" 1
156 1 13 VAL H 1 73 ALA H . . 5.500 4.924 4.516 5.095 . 0 0 "[ . 1 . 2]" 1
157 1 13 VAL HA 1 13 VAL MG1 . . 3.050 2.256 2.162 2.399 . 0 0 "[ . 1 . 2]" 1
158 1 13 VAL HA 1 13 VAL MG2 . . 3.050 2.472 2.282 2.602 . 0 0 "[ . 1 . 2]" 1
159 1 13 VAL HA 1 14 GLU H . . 2.430 2.176 2.141 2.240 . 0 0 "[ . 1 . 2]" 1
160 1 13 VAL HA 1 14 GLU QB . . 4.450 4.005 3.950 4.079 . 0 0 "[ . 1 . 2]" 1
161 1 13 VAL HA 1 71 GLU H . . 5.080 4.545 3.917 5.041 . 0 0 "[ . 1 . 2]" 1
162 1 13 VAL HA 1 71 GLU HB2 . . 5.090 5.115 4.966 5.183 0.093 7 0 "[ . 1 . 2]" 1
163 1 13 VAL HA 1 72 ALA H . . 5.060 4.329 3.275 5.146 0.086 4 0 "[ . 1 . 2]" 1
164 1 13 VAL HA 1 72 ALA HA . . 2.990 2.409 1.960 2.725 . 0 0 "[ . 1 . 2]" 1
165 1 13 VAL HA 1 72 ALA MB . . 3.580 3.308 2.883 3.559 . 0 0 "[ . 1 . 2]" 1
166 1 13 VAL HA 1 73 ALA H . . 4.040 3.946 3.664 4.120 0.080 13 0 "[ . 1 . 2]" 1
167 1 13 VAL HB 1 14 GLU H . . 4.420 3.959 3.725 4.232 . 0 0 "[ . 1 . 2]" 1
168 1 13 VAL HB 1 15 GLY H . . 5.500 4.148 3.602 5.183 . 0 0 "[ . 1 . 2]" 1
169 1 13 VAL HB 1 45 GLN HA . . 4.710 4.349 3.986 4.527 . 0 0 "[ . 1 . 2]" 1
170 1 13 VAL HB 1 46 GLU HA . . 4.550 3.773 2.821 4.538 . 0 0 "[ . 1 . 2]" 1
171 1 13 VAL QG 1 14 GLU H . . 3.230 2.337 1.922 2.760 . 0 0 "[ . 1 . 2]" 1
172 1 13 VAL QG 1 16 MET H . . 4.440 2.156 1.845 3.015 . 0 0 "[ . 1 . 2]" 1
173 1 13 VAL QG 1 45 GLN HA . . 4.210 4.275 4.226 4.323 0.113 16 0 "[ . 1 . 2]" 1
174 1 13 VAL QG 1 46 GLU HA . . 4.170 2.564 2.193 3.175 . 0 0 "[ . 1 . 2]" 1
175 1 13 VAL QG 1 70 PHE H . . 5.440 5.146 4.995 5.376 . 0 0 "[ . 1 . 2]" 1
176 1 13 VAL QG 1 70 PHE HB2 . . 3.350 3.267 2.931 3.489 0.139 17 0 "[ . 1 . 2]" 1
177 1 13 VAL QG 1 70 PHE HB3 . . 3.050 2.485 2.223 2.822 . 0 0 "[ . 1 . 2]" 1
178 1 13 VAL QG 1 70 PHE QD . . 4.040 2.900 2.002 3.802 . 0 0 "[ . 1 . 2]" 1
179 1 13 VAL QG 1 71 GLU H . . 3.870 3.212 2.521 3.697 . 0 0 "[ . 1 . 2]" 1
180 1 13 VAL QG 1 72 ALA HA . . 4.130 3.116 2.321 3.607 . 0 0 "[ . 1 . 2]" 1
181 1 13 VAL QG 1 72 ALA MB . . 3.130 2.577 1.831 3.179 0.049 2 0 "[ . 1 . 2]" 1
182 1 13 VAL QG 1 73 ALA H . . 5.270 4.257 3.640 4.578 . 0 0 "[ . 1 . 2]" 1
183 1 13 VAL MG1 1 14 GLU H . . 4.320 2.352 1.925 2.798 . 0 0 "[ . 1 . 2]" 1
184 1 13 VAL MG1 1 45 GLN HA . . 5.500 5.274 4.459 5.551 0.051 16 0 "[ . 1 . 2]" 1
185 1 13 VAL MG1 1 72 ALA HA . . 4.790 3.727 3.064 4.321 . 0 0 "[ . 1 . 2]" 1
186 1 13 VAL MG2 1 14 GLU H . . 4.320 4.148 3.874 4.313 . 0 0 "[ . 1 . 2]" 1
187 1 13 VAL MG2 1 45 GLN HA . . 5.500 4.600 4.397 5.502 0.002 3 0 "[ . 1 . 2]" 1
188 1 13 VAL MG2 1 72 ALA HA . . 4.790 3.385 2.348 4.040 . 0 0 "[ . 1 . 2]" 1
189 1 14 GLU H 1 14 GLU HB2 . . 3.390 2.508 2.290 2.901 . 0 0 "[ . 1 . 2]" 1
190 1 14 GLU H 1 14 GLU QB . . 2.640 2.325 2.251 2.391 . 0 0 "[ . 1 . 2]" 1
191 1 14 GLU H 1 14 GLU HB3 . . 3.390 2.980 2.506 3.400 0.010 16 0 "[ . 1 . 2]" 1
192 1 14 GLU H 1 14 GLU QG . . 4.020 3.903 3.649 4.029 0.009 4 0 "[ . 1 . 2]" 1
193 1 14 GLU H 1 15 GLY H . . 3.850 2.132 2.048 2.465 . 0 0 "[ . 1 . 2]" 1
194 1 14 GLU H 1 70 PHE HB3 . . 5.500 4.462 3.729 4.970 . 0 0 "[ . 1 . 2]" 1
195 1 14 GLU H 1 71 GLU H . . 3.800 3.624 3.221 3.830 0.030 14 0 "[ . 1 . 2]" 1
196 1 14 GLU H 1 72 ALA HA . . 3.960 3.680 3.211 3.986 0.026 14 0 "[ . 1 . 2]" 1
197 1 14 GLU H 1 73 ALA H . . 5.450 5.183 4.669 5.456 0.006 11 0 "[ . 1 . 2]" 1
198 1 14 GLU HA 1 14 GLU QG . . 2.590 2.295 2.104 2.588 . 0 0 "[ . 1 . 2]" 1
199 1 14 GLU QB 1 15 GLY H . . 3.330 3.105 2.211 3.356 0.026 1 0 "[ . 1 . 2]" 1
200 1 14 GLU QB 1 71 GLU H . . 5.340 4.241 3.160 4.945 . 0 0 "[ . 1 . 2]" 1
201 1 14 GLU HB2 1 15 GLY H . . 4.150 3.830 3.441 4.165 0.015 4 0 "[ . 1 . 2]" 1
202 1 14 GLU HB3 1 15 GLY H . . 4.150 3.345 2.229 3.839 . 0 0 "[ . 1 . 2]" 1
203 1 15 GLY H 1 16 MET H . . 3.440 2.458 2.054 3.507 0.067 17 0 "[ . 1 . 2]" 1
204 1 15 GLY QA 1 70 PHE QD . . 4.010 2.817 1.984 4.043 0.033 16 0 "[ . 1 . 2]" 1
205 1 16 MET H 1 70 PHE QD . . 4.790 3.836 2.355 4.803 0.013 4 0 "[ . 1 . 2]" 1
206 1 16 MET HA 1 21 CYS H . . 5.500 5.451 4.924 5.592 0.092 7 0 "[ . 1 . 2]" 1
207 1 16 MET HA 1 21 CYS HB2 . . 5.500 4.707 3.752 5.521 0.021 15 0 "[ . 1 . 2]" 1
208 1 16 MET HA 1 21 CYS QB . . 4.720 4.333 3.508 4.725 0.005 15 0 "[ . 1 . 2]" 1
209 1 16 MET HA 1 21 CYS HB3 . . 5.500 5.213 4.214 5.531 0.031 17 0 "[ . 1 . 2]" 1
210 1 21 CYS H 1 21 CYS HB2 . . 3.820 2.495 2.066 3.590 . 0 0 "[ . 1 . 2]" 1
211 1 21 CYS H 1 21 CYS QB . . 3.200 2.255 2.044 2.573 . 0 0 "[ . 1 . 2]" 1
212 1 21 CYS H 1 21 CYS HB3 . . 3.820 3.151 2.591 3.590 . 0 0 "[ . 1 . 2]" 1
213 1 21 CYS H 1 22 VAL H . . 3.070 2.636 2.623 2.706 . 0 0 "[ . 1 . 2]" 1
214 1 21 CYS H 1 22 VAL HB . . 5.500 4.999 4.832 5.141 . 0 0 "[ . 1 . 2]" 1
215 1 21 CYS H 1 22 VAL QG . . 4.770 3.848 3.662 4.082 . 0 0 "[ . 1 . 2]" 1
216 1 21 CYS H 1 23 SER H . . 5.020 4.677 4.258 4.823 . 0 0 "[ . 1 . 2]" 1
217 1 21 CYS HA 1 22 VAL H . . 3.510 3.427 3.383 3.544 0.034 7 0 "[ . 1 . 2]" 1
218 1 21 CYS HA 1 25 ILE MD . . 5.210 4.413 3.706 5.107 . 0 0 "[ . 1 . 2]" 1
219 1 21 CYS QB 1 22 VAL QG . . 5.050 3.856 3.280 4.163 . 0 0 "[ . 1 . 2]" 1
220 1 21 CYS QB 1 25 ILE MD . . 4.510 2.665 1.989 3.540 . 0 0 "[ . 1 . 2]" 1
221 1 21 CYS HB2 1 22 VAL H . . 4.100 3.560 2.889 4.109 0.009 13 0 "[ . 1 . 2]" 1
222 1 21 CYS HB3 1 22 VAL H . . 4.100 3.671 3.083 4.133 0.033 8 0 "[ . 1 . 2]" 1
223 1 22 VAL H 1 22 VAL HB . . 3.710 2.591 2.470 2.698 . 0 0 "[ . 1 . 2]" 1
224 1 22 VAL H 1 22 VAL MG1 . . 3.870 3.765 3.755 3.770 . 0 0 "[ . 1 . 2]" 1
225 1 22 VAL H 1 22 VAL QG . . 2.760 2.141 1.947 2.366 . 0 0 "[ . 1 . 2]" 1
226 1 22 VAL H 1 22 VAL MG2 . . 3.870 2.154 1.953 2.392 . 0 0 "[ . 1 . 2]" 1
227 1 22 VAL H 1 23 SER H . . 3.030 2.855 2.693 2.910 . 0 0 "[ . 1 . 2]" 1
228 1 22 VAL H 1 24 SER H . . 5.500 4.202 4.075 4.343 . 0 0 "[ . 1 . 2]" 1
229 1 22 VAL H 1 25 ILE HB . . 5.500 5.447 5.243 5.586 0.086 20 0 "[ . 1 . 2]" 1
230 1 22 VAL HA 1 22 VAL MG1 . . 2.760 2.336 2.235 2.397 . 0 0 "[ . 1 . 2]" 1
231 1 22 VAL HA 1 22 VAL QG . . 2.270 2.061 2.038 2.117 . 0 0 "[ . 1 . 2]" 1
232 1 22 VAL HA 1 22 VAL MG2 . . 2.760 2.295 2.220 2.391 . 0 0 "[ . 1 . 2]" 1
233 1 22 VAL HA 1 25 ILE H . . 4.580 3.460 3.206 3.581 . 0 0 "[ . 1 . 2]" 1
234 1 22 VAL HA 1 25 ILE HB . . 3.710 2.958 2.830 3.078 . 0 0 "[ . 1 . 2]" 1
235 1 22 VAL HA 1 25 ILE MD . . 3.910 2.381 1.893 3.942 0.032 20 0 "[ . 1 . 2]" 1
236 1 22 VAL HA 1 25 ILE MG . . 4.610 4.263 4.098 4.355 . 0 0 "[ . 1 . 2]" 1
237 1 22 VAL HA 1 26 GLU H . . 4.970 4.422 4.079 4.808 . 0 0 "[ . 1 . 2]" 1
238 1 22 VAL HA 1 40 VAL HB . . 3.900 3.530 2.815 3.953 0.053 7 0 "[ . 1 . 2]" 1
239 1 22 VAL HA 1 40 VAL QG . . 4.430 2.840 2.422 3.294 . 0 0 "[ . 1 . 2]" 1
240 1 22 VAL HB 1 23 SER H . . 3.580 2.523 2.484 2.579 . 0 0 "[ . 1 . 2]" 1
241 1 22 VAL HB 1 23 SER HA . . 4.710 4.234 4.109 4.321 . 0 0 "[ . 1 . 2]" 1
242 1 22 VAL HB 1 42 LEU QB . . 5.500 4.392 1.986 5.487 . 0 0 "[ . 1 . 2]" 1
243 1 22 VAL QG 1 23 SER H . . 3.330 3.158 3.111 3.210 . 0 0 "[ . 1 . 2]" 1
244 1 22 VAL QG 1 23 SER HA . . 3.850 3.423 3.306 3.600 . 0 0 "[ . 1 . 2]" 1
245 1 22 VAL QG 1 25 ILE MD . . 4.550 3.057 2.552 4.406 . 0 0 "[ . 1 . 2]" 1
246 1 22 VAL QG 1 40 VAL HB . . 2.800 1.861 1.740 2.046 . 0 0 "[ . 1 . 2]" 1
247 1 22 VAL QG 1 41 SER HA . . 4.830 3.820 2.952 4.443 . 0 0 "[ . 1 . 2]" 1
248 1 22 VAL QG 1 42 LEU H . . 3.890 3.214 2.307 3.892 0.002 20 0 "[ . 1 . 2]" 1
249 1 22 VAL QG 1 42 LEU HA . . 4.890 3.600 2.188 4.327 . 0 0 "[ . 1 . 2]" 1
250 1 22 VAL QG 1 42 LEU QB . . 3.270 2.584 1.857 3.277 0.007 20 0 "[ . 1 . 2]" 1
251 1 22 VAL MG1 1 23 SER H . . 4.270 3.376 3.279 3.514 . 0 0 "[ . 1 . 2]" 1
252 1 22 VAL MG2 1 23 SER H . . 4.270 3.806 3.687 3.873 . 0 0 "[ . 1 . 2]" 1
253 1 23 SER H 1 23 SER HB2 . . 2.710 2.087 2.075 2.115 . 0 0 "[ . 1 . 2]" 1
254 1 23 SER H 1 25 ILE H . . 4.480 4.208 4.120 4.272 . 0 0 "[ . 1 . 2]" 1
255 1 23 SER H 1 26 GLU H . . 5.290 4.868 4.776 5.057 . 0 0 "[ . 1 . 2]" 1
256 1 23 SER H 1 26 GLU HB2 . . 5.500 4.996 4.836 5.348 . 0 0 "[ . 1 . 2]" 1
257 1 23 SER HA 1 26 GLU H . . 3.650 3.537 3.488 3.627 . 0 0 "[ . 1 . 2]" 1
258 1 23 SER HA 1 26 GLU HB2 . . 3.100 2.672 2.543 2.924 . 0 0 "[ . 1 . 2]" 1
259 1 23 SER HA 1 26 GLU QG . . 4.500 4.000 3.471 4.533 0.033 17 0 "[ . 1 . 2]" 1
260 1 23 SER HB2 1 24 SER H . . 3.190 3.130 3.083 3.188 . 0 0 "[ . 1 . 2]" 1
261 1 23 SER HB3 1 24 SER H . . 3.150 3.108 3.008 3.148 . 0 0 "[ . 1 . 2]" 1
262 1 23 SER HB3 1 26 GLU H . . 5.410 5.282 5.160 5.469 0.059 2 0 "[ . 1 . 2]" 1
263 1 24 SER H 1 24 SER QB . . 2.670 2.308 2.087 2.638 . 0 0 "[ . 1 . 2]" 1
264 1 24 SER H 1 25 ILE H . . 2.930 2.604 2.554 2.624 . 0 0 "[ . 1 . 2]" 1
265 1 24 SER H 1 25 ILE HB . . 5.500 4.889 4.787 4.989 . 0 0 "[ . 1 . 2]" 1
266 1 24 SER H 1 26 GLU H . . 4.100 3.970 3.865 4.079 . 0 0 "[ . 1 . 2]" 1
267 1 24 SER H 1 26 GLU HB2 . . 5.500 4.856 4.734 5.006 . 0 0 "[ . 1 . 2]" 1
268 1 24 SER QB 1 25 ILE H . . 3.830 2.653 2.532 3.354 . 0 0 "[ . 1 . 2]" 1
269 1 25 ILE H 1 25 ILE HB . . 2.830 2.582 2.512 2.674 . 0 0 "[ . 1 . 2]" 1
270 1 25 ILE H 1 25 ILE MD . . 3.760 3.234 2.904 3.582 . 0 0 "[ . 1 . 2]" 1
271 1 25 ILE H 1 25 ILE MG . . 4.090 3.765 3.761 3.767 . 0 0 "[ . 1 . 2]" 1
272 1 25 ILE H 1 26 GLU H . . 2.940 2.605 2.575 2.687 . 0 0 "[ . 1 . 2]" 1
273 1 25 ILE H 1 26 GLU HB2 . . 4.650 4.401 4.366 4.490 . 0 0 "[ . 1 . 2]" 1
274 1 25 ILE HA 1 25 ILE MD . . 3.950 3.780 1.955 3.904 . 0 0 "[ . 1 . 2]" 1
275 1 25 ILE HA 1 25 ILE MG . . 2.950 2.368 2.258 2.395 . 0 0 "[ . 1 . 2]" 1
276 1 25 ILE HA 1 28 LYS H . . 4.030 3.378 3.180 3.494 . 0 0 "[ . 1 . 2]" 1
277 1 25 ILE HA 1 68 MET QB . . 4.700 4.537 4.031 4.762 0.062 10 0 "[ . 1 . 2]" 1
278 1 25 ILE HA 1 68 MET QG . . 5.340 3.643 2.949 4.592 . 0 0 "[ . 1 . 2]" 1
279 1 25 ILE HB 1 25 ILE MD . . 2.750 2.276 2.030 3.215 0.465 20 0 "[ . 1 . 2]" 1
280 1 25 ILE HB 1 26 GLU H . . 3.150 2.887 2.626 3.145 . 0 0 "[ . 1 . 2]" 1
281 1 25 ILE MD 1 25 ILE MG . . 2.620 2.264 1.977 2.631 0.011 14 0 "[ . 1 . 2]" 1
282 1 25 ILE MD 1 26 GLU H . . 4.920 4.537 4.180 4.884 . 0 0 "[ . 1 . 2]" 1
283 1 25 ILE MD 1 68 MET QB . . 4.440 3.398 1.907 3.962 . 0 0 "[ . 1 . 2]" 1
284 1 25 ILE MD 1 68 MET QG . . 5.340 3.714 2.413 4.513 . 0 0 "[ . 1 . 2]" 1
285 1 25 ILE MG 1 26 GLU H . . 3.900 3.707 3.484 3.924 0.024 12 0 "[ . 1 . 2]" 1
286 1 25 ILE MG 1 68 MET H . . 5.500 5.527 5.075 5.633 0.133 10 0 "[ . 1 . 2]" 1
287 1 25 ILE MG 1 68 MET QB . . 4.840 3.581 3.012 4.010 . 0 0 "[ . 1 . 2]" 1
288 1 25 ILE MG 1 68 MET QG . . 4.330 2.427 1.893 3.114 . 0 0 "[ . 1 . 2]" 1
289 1 26 GLU H 1 26 GLU HB2 . . 2.880 2.068 2.063 2.087 . 0 0 "[ . 1 . 2]" 1
290 1 26 GLU H 1 26 GLU HB3 . . 3.300 3.231 3.136 3.310 0.010 11 0 "[ . 1 . 2]" 1
291 1 26 GLU H 1 26 GLU QG . . 3.670 3.478 3.371 3.667 . 0 0 "[ . 1 . 2]" 1
292 1 26 GLU H 1 27 GLY H . . 2.840 2.687 2.640 2.821 . 0 0 "[ . 1 . 2]" 1
293 1 26 GLU H 1 27 GLY HA3 . . 5.450 4.969 4.925 5.105 . 0 0 "[ . 1 . 2]" 1
294 1 26 GLU H 1 28 LYS H . . 4.470 4.129 4.008 4.237 . 0 0 "[ . 1 . 2]" 1
295 1 26 GLU HA 1 26 GLU QG . . 3.280 2.138 1.999 2.228 . 0 0 "[ . 1 . 2]" 1
296 1 26 GLU HA 1 29 VAL H . . 4.070 3.662 3.508 3.878 . 0 0 "[ . 1 . 2]" 1
297 1 26 GLU HB2 1 27 GLY H . . 3.350 3.265 3.147 3.352 0.002 12 0 "[ . 1 . 2]" 1
298 1 26 GLU HB3 1 26 GLU QG . . 2.550 2.410 2.132 2.499 . 0 0 "[ . 1 . 2]" 1
299 1 26 GLU HB3 1 27 GLY H . . 3.040 2.947 2.802 3.069 0.029 17 0 "[ . 1 . 2]" 1
300 1 26 GLU QG 1 27 GLY H . . 5.020 4.455 4.388 4.556 . 0 0 "[ . 1 . 2]" 1
301 1 27 GLY H 1 27 GLY HA2 . . 2.840 2.821 2.804 2.830 . 0 0 "[ . 1 . 2]" 1
302 1 27 GLY H 1 27 GLY HA3 . . 2.610 2.296 2.294 2.297 . 0 0 "[ . 1 . 2]" 1
303 1 27 GLY H 1 28 LYS H . . 2.830 2.649 2.619 2.697 . 0 0 "[ . 1 . 2]" 1
304 1 27 GLY H 1 28 LYS HA . . 5.490 5.220 5.163 5.273 . 0 0 "[ . 1 . 2]" 1
305 1 27 GLY H 1 29 VAL H . . 4.670 4.390 4.242 4.595 . 0 0 "[ . 1 . 2]" 1
306 1 27 GLY H 1 29 VAL QG . . 5.440 4.848 4.572 5.135 . 0 0 "[ . 1 . 2]" 1
307 1 27 GLY H 1 30 ARG H . . 5.430 5.365 5.044 5.476 0.046 1 0 "[ . 1 . 2]" 1
308 1 27 GLY HA2 1 30 ARG HB2 . . 3.920 3.506 2.822 3.919 . 0 0 "[ . 1 . 2]" 1
309 1 27 GLY HA2 1 30 ARG HB3 . . 3.920 3.801 3.576 3.926 0.006 1 0 "[ . 1 . 2]" 1
310 1 27 GLY HA3 1 28 LYS H . . 3.360 2.950 2.895 3.077 . 0 0 "[ . 1 . 2]" 1
311 1 27 GLY HA3 1 29 VAL H . . 5.500 4.741 4.576 4.937 . 0 0 "[ . 1 . 2]" 1
312 1 27 GLY HA3 1 30 ARG QB . . 4.790 4.322 4.073 4.609 . 0 0 "[ . 1 . 2]" 1
313 1 28 LYS H 1 28 LYS HB2 . . 2.400 2.184 2.060 2.437 0.037 9 0 "[ . 1 . 2]" 1
314 1 28 LYS H 1 28 LYS HG2 . . 4.580 3.440 2.302 4.465 . 0 0 "[ . 1 . 2]" 1
315 1 28 LYS H 1 28 LYS HG3 . . 4.580 4.023 3.426 4.457 . 0 0 "[ . 1 . 2]" 1
316 1 28 LYS H 1 29 VAL H . . 2.840 2.706 2.640 2.819 . 0 0 "[ . 1 . 2]" 1
317 1 28 LYS H 1 30 ARG H . . 4.330 4.267 4.012 4.424 0.094 7 0 "[ . 1 . 2]" 1
318 1 28 LYS HA 1 28 LYS QG . . 2.900 2.532 2.264 2.917 0.017 9 0 "[ . 1 . 2]" 1
319 1 28 LYS HA 1 29 VAL HA . . 5.280 4.861 4.800 4.882 . 0 0 "[ . 1 . 2]" 1
320 1 28 LYS HA 1 31 LYS H . . 4.300 3.410 3.269 3.605 . 0 0 "[ . 1 . 2]" 1
321 1 28 LYS HB2 1 29 VAL H . . 3.210 2.969 2.538 3.342 0.132 14 0 "[ . 1 . 2]" 1
322 1 28 LYS HB3 1 29 VAL H . . 3.440 3.211 2.718 3.504 0.064 9 0 "[ . 1 . 2]" 1
323 1 28 LYS QG 1 29 VAL H . . 5.340 4.415 4.072 4.618 . 0 0 "[ . 1 . 2]" 1
324 1 28 LYS QG 1 68 MET H . . 5.210 5.191 4.849 5.321 0.111 11 0 "[ . 1 . 2]" 1
325 1 28 LYS QG 1 68 MET QG . . 3.280 2.969 2.422 3.314 0.034 18 0 "[ . 1 . 2]" 1
326 1 29 VAL H 1 29 VAL HB . . 2.910 2.380 2.166 2.578 . 0 0 "[ . 1 . 2]" 1
327 1 29 VAL H 1 29 VAL QG . . 2.590 2.361 1.973 2.753 0.163 3 0 "[ . 1 . 2]" 1
328 1 29 VAL H 1 30 ARG H . . 2.890 2.780 2.625 2.861 . 0 0 "[ . 1 . 2]" 1
329 1 29 VAL H 1 30 ARG HA . . 5.500 5.356 5.216 5.429 . 0 0 "[ . 1 . 2]" 1
330 1 29 VAL H 1 31 LYS H . . 4.440 4.096 3.981 4.198 . 0 0 "[ . 1 . 2]" 1
331 1 29 VAL H 1 32 LEU H . . 5.500 4.801 4.613 5.111 . 0 0 "[ . 1 . 2]" 1
332 1 29 VAL H 1 38 VAL H . . 5.500 5.582 5.418 5.716 0.216 19 0 "[ . 1 . 2]" 1
333 1 29 VAL HA 1 31 LYS H . . 4.520 3.866 3.709 3.995 . 0 0 "[ . 1 . 2]" 1
334 1 29 VAL HA 1 32 LEU H . . 3.750 3.143 2.929 3.368 . 0 0 "[ . 1 . 2]" 1
335 1 29 VAL HA 1 32 LEU HA . . 5.500 4.984 4.788 5.295 . 0 0 "[ . 1 . 2]" 1
336 1 29 VAL HA 1 32 LEU QB . . 3.780 2.261 1.973 2.716 . 0 0 "[ . 1 . 2]" 1
337 1 29 VAL HA 1 32 LEU QD . . 4.650 2.735 2.151 3.290 . 0 0 "[ . 1 . 2]" 1
338 1 29 VAL HA 1 32 LEU HG . . 3.430 3.384 3.194 3.480 0.050 19 0 "[ . 1 . 2]" 1
339 1 29 VAL QG 1 30 ARG H . . 3.010 2.563 1.924 3.186 0.176 8 0 "[ . 1 . 2]" 1
340 1 29 VAL QG 1 31 LYS H . . 4.250 4.097 3.884 4.283 0.033 5 0 "[ . 1 . 2]" 1
341 1 29 VAL QG 1 38 VAL H . . 4.610 2.270 1.909 3.180 . 0 0 "[ . 1 . 2]" 1
342 1 30 ARG H 1 30 ARG HB2 . . 3.010 2.392 2.211 2.673 . 0 0 "[ . 1 . 2]" 1
343 1 30 ARG H 1 30 ARG QB . . 2.590 2.216 2.145 2.250 . 0 0 "[ . 1 . 2]" 1
344 1 30 ARG H 1 30 ARG HB3 . . 3.010 2.674 2.389 2.893 . 0 0 "[ . 1 . 2]" 1
345 1 30 ARG H 1 31 LYS H . . 3.160 2.613 2.553 2.733 . 0 0 "[ . 1 . 2]" 1
346 1 30 ARG H 1 32 LEU H . . 4.330 3.946 3.876 4.012 . 0 0 "[ . 1 . 2]" 1
347 1 30 ARG HA 1 30 ARG QB . . 2.620 2.409 2.308 2.483 . 0 0 "[ . 1 . 2]" 1
348 1 30 ARG HA 1 32 LEU H . . 4.270 4.022 3.837 4.157 . 0 0 "[ . 1 . 2]" 1
349 1 31 LYS H 1 31 LYS HB2 . . 3.670 2.610 2.354 3.596 . 0 0 "[ . 1 . 2]" 1
350 1 31 LYS H 1 31 LYS QB . . 2.920 2.445 2.315 2.555 . 0 0 "[ . 1 . 2]" 1
351 1 31 LYS H 1 31 LYS HB3 . . 3.670 3.515 2.344 3.669 . 0 0 "[ . 1 . 2]" 1
352 1 31 LYS H 1 31 LYS QD . . 4.130 3.873 3.460 4.416 0.286 16 0 "[ . 1 . 2]" 1
353 1 31 LYS H 1 31 LYS HG2 . . 3.950 2.603 2.199 3.698 . 0 0 "[ . 1 . 2]" 1
354 1 31 LYS H 1 31 LYS QG . . 3.160 2.479 2.178 2.804 . 0 0 "[ . 1 . 2]" 1
355 1 31 LYS H 1 31 LYS HG3 . . 3.950 3.616 2.901 3.913 . 0 0 "[ . 1 . 2]" 1
356 1 31 LYS H 1 32 LEU H . . 2.740 2.241 2.193 2.388 . 0 0 "[ . 1 . 2]" 1
357 1 31 LYS H 1 32 LEU QD . . 5.440 3.553 3.303 3.927 . 0 0 "[ . 1 . 2]" 1
358 1 31 LYS HA 1 31 LYS QD . . 2.970 2.331 1.995 3.276 0.306 16 0 "[ . 1 . 2]" 1
359 1 31 LYS HA 1 31 LYS HG2 . . 3.900 3.078 2.732 4.222 0.322 11 0 "[ . 1 . 2]" 1
360 1 31 LYS HA 1 31 LYS QG . . 3.090 2.907 2.674 3.404 0.314 11 0 "[ . 1 . 2]" 1
361 1 31 LYS HA 1 31 LYS HG3 . . 3.900 3.775 3.589 3.842 . 0 0 "[ . 1 . 2]" 1
362 1 31 LYS HA 1 32 LEU H . . 3.550 3.398 3.388 3.416 . 0 0 "[ . 1 . 2]" 1
363 1 32 LEU H 1 32 LEU QB . . 3.640 2.102 2.064 2.144 . 0 0 "[ . 1 . 2]" 1
364 1 32 LEU H 1 32 LEU MD1 . . 4.540 4.079 3.915 4.254 . 0 0 "[ . 1 . 2]" 1
365 1 32 LEU H 1 32 LEU QD . . 3.090 2.544 2.231 2.857 . 0 0 "[ . 1 . 2]" 1
366 1 32 LEU H 1 32 LEU MD2 . . 4.540 2.571 2.243 2.903 . 0 0 "[ . 1 . 2]" 1
367 1 32 LEU H 1 33 GLN H . . 4.760 4.579 4.572 4.586 . 0 0 "[ . 1 . 2]" 1
368 1 32 LEU H 1 35 VAL HB . . 5.440 5.339 5.115 5.509 0.069 16 0 "[ . 1 . 2]" 1
369 1 32 LEU H 1 35 VAL MG1 . . 3.780 3.756 3.503 3.896 0.116 1 0 "[ . 1 . 2]" 1
370 1 32 LEU HA 1 32 LEU QB . . 2.630 2.503 2.481 2.523 . 0 0 "[ . 1 . 2]" 1
371 1 32 LEU HA 1 32 LEU MD1 . . 2.980 2.159 1.964 2.453 . 0 0 "[ . 1 . 2]" 1
372 1 32 LEU HA 1 32 LEU QD . . 2.470 1.950 1.868 2.027 . 0 0 "[ . 1 . 2]" 1
373 1 32 LEU HA 1 32 LEU MD2 . . 2.980 2.302 1.980 2.596 . 0 0 "[ . 1 . 2]" 1
374 1 32 LEU HA 1 33 GLN H . . 2.420 2.189 2.179 2.200 . 0 0 "[ . 1 . 2]" 1
375 1 32 LEU QD 1 33 GLN H . . 3.260 2.644 2.345 2.862 . 0 0 "[ . 1 . 2]" 1
376 1 32 LEU QD 1 33 GLN QG . . 5.440 4.505 3.115 5.431 . 0 0 "[ . 1 . 2]" 1
377 1 33 GLN H 1 33 GLN QB . . 2.780 2.445 2.266 2.701 . 0 0 "[ . 1 . 2]" 1
378 1 33 GLN H 1 33 GLN QG . . 4.130 3.157 1.880 4.047 . 0 0 "[ . 1 . 2]" 1
379 1 33 GLN H 1 35 VAL H . . 5.500 4.062 3.875 4.318 . 0 0 "[ . 1 . 2]" 1
380 1 33 GLN HA 1 33 GLN QG . . 3.350 2.863 2.369 3.339 . 0 0 "[ . 1 . 2]" 1
381 1 33 GLN QB 1 34 GLY H . . 3.410 2.605 1.918 3.410 . 15 0 "[ . 1 . 2]" 1
382 1 33 GLN QB 1 55 LEU HB3 . . 4.880 4.820 4.510 4.918 0.038 2 0 "[ . 1 . 2]" 1
383 1 33 GLN QG 1 34 GLY HA2 . . 3.570 3.454 3.206 3.594 0.024 20 0 "[ . 1 . 2]" 1
384 1 33 GLN QG 1 55 LEU HB3 . . 4.300 3.787 3.305 4.181 . 0 0 "[ . 1 . 2]" 1
385 1 34 GLY H 1 35 VAL H . . 3.060 2.722 2.464 3.039 . 0 0 "[ . 1 . 2]" 1
386 1 34 GLY H 1 35 VAL HB . . 4.920 4.465 4.168 4.869 . 0 0 "[ . 1 . 2]" 1
387 1 34 GLY H 1 55 LEU HB2 . . 4.710 4.773 4.735 4.858 0.148 12 0 "[ . 1 . 2]" 1
388 1 34 GLY H 1 55 LEU HB3 . . 5.500 4.259 3.932 4.566 . 0 0 "[ . 1 . 2]" 1
389 1 34 GLY H 1 56 ILE QG . . 5.500 4.911 4.573 5.221 . 0 0 "[ . 1 . 2]" 1
390 1 34 GLY H 1 56 ILE MG . . 5.230 3.321 3.032 3.592 . 0 0 "[ . 1 . 2]" 1
391 1 34 GLY HA2 1 52 GLN QB . . 4.430 4.213 3.729 4.450 0.020 19 0 "[ . 1 . 2]" 1
392 1 34 GLY HA2 1 55 LEU H . . 4.930 4.947 4.828 5.039 0.109 12 0 "[ . 1 . 2]" 1
393 1 34 GLY HA2 1 55 LEU HB2 . . 3.440 2.329 2.117 2.533 . 0 0 "[ . 1 . 2]" 1
394 1 34 GLY HA2 1 55 LEU HB3 . . 3.840 2.065 1.925 2.214 . 0 0 "[ . 1 . 2]" 1
395 1 34 GLY HA2 1 55 LEU QD . . 3.650 2.174 1.952 2.331 . 0 0 "[ . 1 . 2]" 1
396 1 34 GLY HA2 1 56 ILE H . . 5.500 3.565 3.347 3.709 . 0 0 "[ . 1 . 2]" 1
397 1 34 GLY HA2 1 56 ILE HB . . 4.020 3.710 3.423 3.940 . 0 0 "[ . 1 . 2]" 1
398 1 34 GLY HA3 1 35 VAL H . . 3.540 2.622 2.539 2.688 . 0 0 "[ . 1 . 2]" 1
399 1 34 GLY HA3 1 52 GLN H . . 4.530 4.170 3.789 4.376 . 0 0 "[ . 1 . 2]" 1
400 1 34 GLY HA3 1 55 LEU HB2 . . 3.340 2.768 2.598 2.972 . 0 0 "[ . 1 . 2]" 1
401 1 34 GLY HA3 1 55 LEU HB3 . . 3.440 2.991 2.603 3.440 0.000 15 0 "[ . 1 . 2]" 1
402 1 34 GLY HA3 1 56 ILE H . . 5.500 2.956 2.687 3.166 . 0 0 "[ . 1 . 2]" 1
403 1 34 GLY HA3 1 56 ILE HB . . 3.440 2.209 2.046 2.425 . 0 0 "[ . 1 . 2]" 1
404 1 35 VAL H 1 35 VAL HB . . 2.630 2.122 2.111 2.131 . 0 0 "[ . 1 . 2]" 1
405 1 35 VAL H 1 35 VAL MG1 . . 3.400 3.276 3.110 3.400 0.000 5 0 "[ . 1 . 2]" 1
406 1 35 VAL H 1 35 VAL MG2 . . 3.560 3.262 3.118 3.428 . 0 0 "[ . 1 . 2]" 1
407 1 35 VAL H 1 36 VAL H . . 4.630 4.596 4.573 4.619 . 0 0 "[ . 1 . 2]" 1
408 1 35 VAL H 1 51 TYR HA . . 5.500 4.478 4.368 4.558 . 0 0 "[ . 1 . 2]" 1
409 1 35 VAL H 1 52 GLN H . . 5.500 4.698 4.504 4.857 . 0 0 "[ . 1 . 2]" 1
410 1 35 VAL H 1 56 ILE MG . . 2.890 2.326 2.203 2.516 . 0 0 "[ . 1 . 2]" 1
411 1 35 VAL HA 1 35 VAL MG2 . . 2.490 2.053 1.960 2.132 . 0 0 "[ . 1 . 2]" 1
412 1 35 VAL HA 1 51 TYR HB3 . . 5.060 2.995 2.780 3.150 . 0 0 "[ . 1 . 2]" 1
413 1 35 VAL HA 1 56 ILE MG . . 3.270 3.360 3.296 3.447 0.177 15 0 "[ . 1 . 2]" 1
414 1 35 VAL HB 1 36 VAL H . . 4.400 4.350 4.284 4.405 0.005 12 0 "[ . 1 . 2]" 1
415 1 35 VAL HB 1 51 TYR HB3 . . 4.710 4.585 4.287 4.778 0.068 7 0 "[ . 1 . 2]" 1
416 1 35 VAL MG1 1 36 VAL H . . 3.350 2.901 2.778 3.064 . 0 0 "[ . 1 . 2]" 1
417 1 35 VAL MG1 1 37 ARG HA . . 5.500 3.234 3.132 3.416 . 0 0 "[ . 1 . 2]" 1
418 1 35 VAL MG1 1 51 TYR HA . . 5.030 4.270 4.138 4.517 . 0 0 "[ . 1 . 2]" 1
419 1 35 VAL MG2 1 36 VAL H . . 3.000 2.879 2.705 3.010 0.010 5 0 "[ . 1 . 2]" 1
420 1 35 VAL MG2 1 37 ARG H . . 3.360 3.316 3.022 3.479 0.119 20 0 "[ . 1 . 2]" 1
421 1 35 VAL MG2 1 51 TYR HA . . 4.490 2.957 2.657 3.137 . 0 0 "[ . 1 . 2]" 1
422 1 36 VAL H 1 36 VAL HB . . 2.990 2.745 2.728 2.759 . 0 0 "[ . 1 . 2]" 1
423 1 36 VAL H 1 36 VAL MG2 . . 2.600 2.085 2.001 2.205 . 0 0 "[ . 1 . 2]" 1
424 1 36 VAL H 1 37 ARG H . . 2.840 2.358 2.327 2.397 . 0 0 "[ . 1 . 2]" 1
425 1 36 VAL H 1 50 THR MG . . 5.040 3.573 3.388 3.711 . 0 0 "[ . 1 . 2]" 1
426 1 36 VAL H 1 51 TYR HA . . 2.400 2.199 2.079 2.330 . 0 0 "[ . 1 . 2]" 1
427 1 36 VAL H 1 51 TYR HB2 . . 4.240 4.158 4.007 4.281 0.041 15 0 "[ . 1 . 2]" 1
428 1 36 VAL H 1 51 TYR HB3 . . 4.460 4.198 4.022 4.316 . 0 0 "[ . 1 . 2]" 1
429 1 36 VAL HA 1 36 VAL MG2 . . 2.700 2.525 2.506 2.550 . 0 0 "[ . 1 . 2]" 1
430 1 36 VAL HA 1 37 ARG H . . 3.560 3.555 3.549 3.562 0.002 19 0 "[ . 1 . 2]" 1
431 1 36 VAL HA 1 37 ARG QB . . 4.740 4.433 4.351 4.581 . 0 0 "[ . 1 . 2]" 1
432 1 36 VAL HA 1 50 THR MG . . 5.180 4.884 4.610 5.194 0.014 13 0 "[ . 1 . 2]" 1
433 1 36 VAL HB 1 37 ARG H . . 3.230 2.445 2.362 2.509 . 0 0 "[ . 1 . 2]" 1
434 1 36 VAL HB 1 50 THR HB . . 3.070 3.063 2.856 3.144 0.074 1 0 "[ . 1 . 2]" 1
435 1 36 VAL HB 1 50 THR MG . . 3.110 2.271 1.973 2.695 . 0 0 "[ . 1 . 2]" 1
436 1 36 VAL HB 1 51 TYR HA . . 4.970 4.211 4.091 4.301 . 0 0 "[ . 1 . 2]" 1
437 1 36 VAL MG2 1 37 ARG H . . 3.390 3.440 3.424 3.458 0.068 13 0 "[ . 1 . 2]" 1
438 1 36 VAL MG2 1 51 TYR H . . 4.320 3.860 3.657 4.027 . 0 0 "[ . 1 . 2]" 1
439 1 36 VAL MG2 1 51 TYR HA . . 2.750 2.336 2.192 2.611 . 0 0 "[ . 1 . 2]" 1
440 1 36 VAL MG2 1 52 GLN H . . 3.420 3.359 3.295 3.453 0.033 18 0 "[ . 1 . 2]" 1
441 1 36 VAL MG2 1 52 GLN HA . . 3.870 4.019 3.960 4.078 0.208 4 0 "[ . 1 . 2]" 1
442 1 37 ARG H 1 37 ARG HB2 . . 4.190 3.350 2.974 4.049 . 0 0 "[ . 1 . 2]" 1
443 1 37 ARG H 1 37 ARG QB . . 3.460 2.986 2.853 3.347 . 0 0 "[ . 1 . 2]" 1
444 1 37 ARG H 1 37 ARG HB3 . . 4.190 3.482 3.357 3.710 . 0 0 "[ . 1 . 2]" 1
445 1 37 ARG H 1 38 VAL H . . 4.430 4.333 4.312 4.364 . 0 0 "[ . 1 . 2]" 1
446 1 37 ARG H 1 50 THR H . . 3.530 3.534 3.494 3.621 0.091 8 0 "[ . 1 . 2]" 1
447 1 37 ARG H 1 50 THR HA . . 5.500 4.765 4.721 4.810 . 0 0 "[ . 1 . 2]" 1
448 1 37 ARG H 1 50 THR HB . . 2.700 2.397 2.269 2.477 . 0 0 "[ . 1 . 2]" 1
449 1 37 ARG H 1 50 THR MG . . 3.780 3.320 3.113 3.535 . 0 0 "[ . 1 . 2]" 1
450 1 37 ARG H 1 51 TYR HA . . 4.400 4.215 4.096 4.437 0.037 7 0 "[ . 1 . 2]" 1
451 1 37 ARG HA 1 37 ARG HB2 . . 2.910 2.677 2.378 2.907 . 0 0 "[ . 1 . 2]" 1
452 1 37 ARG HA 1 37 ARG HB3 . . 2.910 2.775 2.386 2.956 0.046 14 0 "[ . 1 . 2]" 1
453 1 37 ARG HA 1 38 VAL H . . 2.530 2.377 2.313 2.519 . 0 0 "[ . 1 . 2]" 1
454 1 37 ARG HA 1 38 VAL QG . . 4.110 3.474 3.187 3.914 . 0 0 "[ . 1 . 2]" 1
455 1 37 ARG HA 1 50 THR HB . . 4.550 4.567 4.479 4.629 0.079 13 0 "[ . 1 . 2]" 1
456 1 37 ARG QB 1 38 VAL H . . 3.210 2.792 2.158 3.149 . 0 0 "[ . 1 . 2]" 1
457 1 37 ARG QG 1 38 VAL H . . 3.700 2.750 2.221 3.592 . 0 0 "[ . 1 . 2]" 1
458 1 38 VAL H 1 38 VAL HB . . 3.950 3.176 2.681 3.820 . 0 0 "[ . 1 . 2]" 1
459 1 38 VAL H 1 38 VAL QG . . 2.730 2.182 1.936 2.794 0.064 11 0 "[ . 1 . 2]" 1
460 1 38 VAL H 1 39 LYS H . . 4.370 4.307 4.269 4.400 0.030 15 0 "[ . 1 . 2]" 1
461 1 38 VAL HA 1 39 LYS H . . 2.730 2.149 2.143 2.168 . 0 0 "[ . 1 . 2]" 1
462 1 38 VAL HA 1 49 ILE H . . 5.440 4.989 4.778 5.399 . 0 0 "[ . 1 . 2]" 1
463 1 38 VAL HA 1 50 THR H . . 4.060 2.714 2.503 3.091 . 0 0 "[ . 1 . 2]" 1
464 1 38 VAL QG 1 39 LYS H . . 4.240 2.791 2.272 3.574 . 0 0 "[ . 1 . 2]" 1
465 1 39 LYS H 1 39 LYS HB2 . . 3.440 2.845 2.383 3.073 . 0 0 "[ . 1 . 2]" 1
466 1 39 LYS H 1 39 LYS QB . . 3.000 2.445 2.338 2.475 . 0 0 "[ . 1 . 2]" 1
467 1 39 LYS H 1 39 LYS HB3 . . 3.440 2.720 2.523 3.391 . 0 0 "[ . 1 . 2]" 1
468 1 39 LYS H 1 39 LYS QG . . 4.710 4.071 3.681 4.185 . 0 0 "[ . 1 . 2]" 1
469 1 39 LYS H 1 40 VAL H . . 4.560 3.856 2.392 4.352 . 0 0 "[ . 1 . 2]" 1
470 1 39 LYS H 1 40 VAL QG . . 5.010 3.944 3.393 4.168 . 0 0 "[ . 1 . 2]" 1
471 1 39 LYS H 1 48 VAL H . . 3.900 3.741 3.651 3.896 . 0 0 "[ . 1 . 2]" 1
472 1 39 LYS H 1 48 VAL HB . . 3.340 2.725 2.546 2.903 . 0 0 "[ . 1 . 2]" 1
473 1 39 LYS H 1 49 ILE H . . 5.500 4.812 4.716 4.941 . 0 0 "[ . 1 . 2]" 1
474 1 39 LYS H 1 49 ILE HA . . 3.900 3.560 3.284 3.885 . 0 0 "[ . 1 . 2]" 1
475 1 39 LYS H 1 50 THR H . . 4.140 4.046 3.784 4.168 0.028 9 0 "[ . 1 . 2]" 1
476 1 39 LYS HA 1 39 LYS QG . . 3.010 2.435 2.209 2.911 . 0 0 "[ . 1 . 2]" 1
477 1 39 LYS HA 1 40 VAL H . . 2.840 2.373 2.142 3.070 0.230 18 0 "[ . 1 . 2]" 1
478 1 39 LYS QB 1 40 VAL H . . 3.920 3.738 3.480 3.811 . 0 0 "[ . 1 . 2]" 1
479 1 39 LYS HB2 1 40 VAL H . . 4.610 4.386 4.234 4.506 . 0 0 "[ . 1 . 2]" 1
480 1 39 LYS HB3 1 40 VAL H . . 4.610 4.073 3.620 4.313 . 0 0 "[ . 1 . 2]" 1
481 1 39 LYS QG 1 40 VAL H . . 4.080 3.343 2.729 4.415 0.335 7 0 "[ . 1 . 2]" 1
482 1 40 VAL H 1 40 VAL HB . . 3.200 2.609 2.493 2.726 . 0 0 "[ . 1 . 2]" 1
483 1 40 VAL H 1 40 VAL QG . . 3.730 2.492 1.903 2.740 . 0 0 "[ . 1 . 2]" 1
484 1 40 VAL H 1 41 SER H . . 4.910 4.456 4.392 4.541 . 0 0 "[ . 1 . 2]" 1
485 1 40 VAL H 1 47 ALA HA . . 5.500 4.865 4.156 5.198 . 0 0 "[ . 1 . 2]" 1
486 1 40 VAL HA 1 40 VAL QG . . 2.600 2.103 2.041 2.151 . 0 0 "[ . 1 . 2]" 1
487 1 40 VAL HA 1 41 SER H . . 2.620 2.165 2.145 2.192 . 0 0 "[ . 1 . 2]" 1
488 1 40 VAL HA 1 47 ALA H . . 5.180 4.964 4.559 5.200 0.020 14 0 "[ . 1 . 2]" 1
489 1 40 VAL HA 1 47 ALA HA . . 2.710 2.267 1.982 2.426 . 0 0 "[ . 1 . 2]" 1
490 1 40 VAL HA 1 47 ALA MB . . 3.850 3.678 3.552 3.860 0.010 7 0 "[ . 1 . 2]" 1
491 1 40 VAL HA 1 48 VAL H . . 3.250 2.430 1.811 2.784 . 0 0 "[ . 1 . 2]" 1
492 1 40 VAL HB 1 41 SER H . . 4.350 4.124 3.948 4.300 . 0 0 "[ . 1 . 2]" 1
493 1 40 VAL QG 1 41 SER H . . 2.730 2.471 2.282 2.661 . 0 0 "[ . 1 . 2]" 1
494 1 40 VAL QG 1 42 LEU H . . 3.920 3.607 3.383 3.820 . 0 0 "[ . 1 . 2]" 1
495 1 40 VAL QG 1 46 GLU H . . 4.370 3.930 3.649 4.180 . 0 0 "[ . 1 . 2]" 1
496 1 40 VAL QG 1 46 GLU HA . . 5.440 4.565 4.246 4.900 . 0 0 "[ . 1 . 2]" 1
497 1 40 VAL QG 1 47 ALA HA . . 2.710 2.207 1.819 2.624 . 0 0 "[ . 1 . 2]" 1
498 1 41 SER H 1 41 SER HB2 . . 3.150 2.844 2.610 3.025 . 0 0 "[ . 1 . 2]" 1
499 1 41 SER H 1 41 SER QB . . 2.700 2.453 2.391 2.470 . 0 0 "[ . 1 . 2]" 1
500 1 41 SER H 1 41 SER HB3 . . 3.150 2.692 2.505 2.931 . 0 0 "[ . 1 . 2]" 1
501 1 41 SER H 1 42 LEU H . . 4.250 4.175 4.147 4.201 . 0 0 "[ . 1 . 2]" 1
502 1 41 SER H 1 46 GLU H . . 3.750 3.516 3.332 3.695 . 0 0 "[ . 1 . 2]" 1
503 1 41 SER H 1 46 GLU HG3 . . 4.160 3.937 3.394 4.218 0.058 14 0 "[ . 1 . 2]" 1
504 1 41 SER H 1 47 ALA H . . 5.030 4.934 4.716 5.065 0.035 14 0 "[ . 1 . 2]" 1
505 1 41 SER H 1 47 ALA HA . . 3.210 3.217 3.089 3.264 0.054 9 0 "[ . 1 . 2]" 1
506 1 41 SER HA 1 42 LEU H . . 2.800 2.158 2.152 2.165 . 0 0 "[ . 1 . 2]" 1
507 1 41 SER HA 1 46 GLU HG2 . . 5.060 4.949 4.681 5.086 0.026 1 0 "[ . 1 . 2]" 1
508 1 41 SER QB 1 42 LEU H . . 4.460 3.921 3.885 3.936 . 0 0 "[ . 1 . 2]" 1
509 1 41 SER QB 1 44 ASN H . . 3.940 2.908 2.681 3.160 . 0 0 "[ . 1 . 2]" 1
510 1 41 SER QB 1 44 ASN QB . . 3.110 2.347 2.129 2.586 . 0 0 "[ . 1 . 2]" 1
511 1 41 SER QB 1 45 GLN H . . 5.060 4.089 3.819 4.281 . 0 0 "[ . 1 . 2]" 1
512 1 41 SER QB 1 46 GLU H . . 3.350 3.190 3.035 3.461 0.111 9 0 "[ . 1 . 2]" 1
513 1 41 SER QB 1 46 GLU HB2 . . 5.340 5.083 5.020 5.213 . 0 0 "[ . 1 . 2]" 1
514 1 41 SER QB 1 46 GLU HB3 . . 4.230 4.321 4.281 4.351 0.121 6 0 "[ . 1 . 2]" 1
515 1 41 SER HB2 1 44 ASN HB2 . . 4.460 4.015 3.650 4.449 . 0 0 "[ . 1 . 2]" 1
516 1 41 SER HB2 1 44 ASN HB3 . . 4.460 4.168 3.801 4.456 . 0 0 "[ . 1 . 2]" 1
517 1 41 SER HB3 1 44 ASN HB2 . . 4.460 2.853 2.407 3.271 . 0 0 "[ . 1 . 2]" 1
518 1 41 SER HB3 1 44 ASN HB3 . . 4.460 2.627 2.198 2.953 . 0 0 "[ . 1 . 2]" 1
519 1 42 LEU H 1 42 LEU QB . . 3.060 2.315 2.187 2.664 . 0 0 "[ . 1 . 2]" 1
520 1 44 ASN H 1 44 ASN HB2 . . 3.940 2.464 2.279 2.668 . 0 0 "[ . 1 . 2]" 1
521 1 44 ASN H 1 44 ASN HB3 . . 3.940 2.957 2.676 3.255 . 0 0 "[ . 1 . 2]" 1
522 1 44 ASN H 1 45 GLN QB . . 5.500 5.107 5.002 5.191 . 0 0 "[ . 1 . 2]" 1
523 1 44 ASN HA 1 44 ASN QB . . 2.590 2.495 2.424 2.540 . 0 0 "[ . 1 . 2]" 1
524 1 44 ASN HA 1 45 GLN H . . 3.530 3.259 3.219 3.274 . 0 0 "[ . 1 . 2]" 1
525 1 44 ASN HA 1 45 GLN HA . . 5.500 5.148 5.111 5.162 . 0 0 "[ . 1 . 2]" 1
526 1 44 ASN QB 1 45 GLN H . . 4.060 3.401 3.371 3.458 . 0 0 "[ . 1 . 2]" 1
527 1 44 ASN QB 1 46 GLU H . . 3.820 3.039 2.975 3.129 . 0 0 "[ . 1 . 2]" 1
528 1 44 ASN HB2 1 45 GLN H . . 4.810 4.068 3.834 4.293 . 0 0 "[ . 1 . 2]" 1
529 1 44 ASN HB3 1 45 GLN H . . 4.810 3.658 3.553 3.785 . 0 0 "[ . 1 . 2]" 1
530 1 45 GLN H 1 45 GLN HA . . 2.410 2.279 2.276 2.282 . 0 0 "[ . 1 . 2]" 1
531 1 45 GLN H 1 45 GLN HG2 . . 3.590 3.171 2.750 3.584 . 0 0 "[ . 1 . 2]" 1
532 1 45 GLN H 1 45 GLN QG . . 2.970 2.662 2.535 2.805 . 0 0 "[ . 1 . 2]" 1
533 1 45 GLN H 1 45 GLN HG3 . . 3.590 2.916 2.592 3.221 . 0 0 "[ . 1 . 2]" 1
534 1 45 GLN HA 1 45 GLN QB . . 2.400 2.343 2.276 2.409 0.009 20 0 "[ . 1 . 2]" 1
535 1 45 GLN HA 1 45 GLN HG2 . . 3.550 2.543 2.384 2.740 . 0 0 "[ . 1 . 2]" 1
536 1 45 GLN HA 1 45 GLN QG . . 2.690 2.452 2.327 2.570 . 0 0 "[ . 1 . 2]" 1
537 1 45 GLN HA 1 45 GLN HG3 . . 3.550 3.255 2.954 3.547 . 0 0 "[ . 1 . 2]" 1
538 1 45 GLN HA 1 46 GLU H . . 2.880 2.800 2.786 2.819 . 0 0 "[ . 1 . 2]" 1
539 1 45 GLN HA 1 46 GLU HA . . 4.680 4.406 4.404 4.409 . 0 0 "[ . 1 . 2]" 1
540 1 45 GLN HA 1 46 GLU HG2 . . 5.500 5.417 5.341 5.514 0.014 18 0 "[ . 1 . 2]" 1
541 1 45 GLN QB 1 46 GLU H . . 4.000 3.859 3.849 3.868 . 0 0 "[ . 1 . 2]" 1
542 1 46 GLU H 1 46 GLU HB2 . . 3.980 3.868 3.858 3.877 . 0 0 "[ . 1 . 2]" 1
543 1 46 GLU H 1 46 GLU HB3 . . 3.020 2.901 2.843 2.936 . 0 0 "[ . 1 . 2]" 1
544 1 46 GLU H 1 46 GLU HG2 . . 4.080 2.618 2.550 2.703 . 0 0 "[ . 1 . 2]" 1
545 1 46 GLU H 1 46 GLU HG3 . . 5.500 4.030 3.958 4.100 . 0 0 "[ . 1 . 2]" 1
546 1 46 GLU H 1 47 ALA H . . 4.490 4.448 4.427 4.454 . 0 0 "[ . 1 . 2]" 1
547 1 46 GLU HA 1 46 GLU HB3 . . 2.850 2.623 2.599 2.656 . 0 0 "[ . 1 . 2]" 1
548 1 46 GLU HA 1 46 GLU HG2 . . 3.750 3.630 3.600 3.701 . 0 0 "[ . 1 . 2]" 1
549 1 46 GLU HA 1 46 GLU HG3 . . 3.910 3.748 3.633 3.816 . 0 0 "[ . 1 . 2]" 1
550 1 46 GLU HA 1 47 ALA H . . 2.550 2.391 2.271 2.466 . 0 0 "[ . 1 . 2]" 1
551 1 46 GLU HA 1 47 ALA MB . . 3.940 3.879 3.852 3.904 . 0 0 "[ . 1 . 2]" 1
552 1 46 GLU HB2 1 47 ALA H . . 3.140 2.650 2.527 2.941 . 0 0 "[ . 1 . 2]" 1
553 1 46 GLU HB2 1 47 ALA HA . . 5.110 4.876 4.809 5.015 . 0 0 "[ . 1 . 2]" 1
554 1 46 GLU HB3 1 47 ALA H . . 4.220 3.983 3.905 4.166 . 0 0 "[ . 1 . 2]" 1
555 1 46 GLU HG2 1 47 ALA H . . 4.040 3.874 3.760 4.021 . 0 0 "[ . 1 . 2]" 1
556 1 46 GLU HG2 1 47 ALA HA . . 4.100 4.070 4.000 4.137 0.037 14 0 "[ . 1 . 2]" 1
557 1 46 GLU HG3 1 47 ALA H . . 3.410 3.128 2.720 3.419 0.009 18 0 "[ . 1 . 2]" 1
558 1 47 ALA H 1 47 ALA MB . . 2.850 2.473 2.328 2.563 . 0 0 "[ . 1 . 2]" 1
559 1 47 ALA H 1 48 VAL H . . 4.310 4.284 4.231 4.336 0.026 7 0 "[ . 1 . 2]" 1
560 1 47 ALA HA 1 48 VAL H . . 2.600 2.147 2.143 2.151 . 0 0 "[ . 1 . 2]" 1
561 1 47 ALA HA 1 48 VAL HA . . 4.400 4.392 4.390 4.395 . 0 0 "[ . 1 . 2]" 1
562 1 47 ALA MB 1 48 VAL H . . 3.320 3.143 3.115 3.206 . 0 0 "[ . 1 . 2]" 1
563 1 47 ALA MB 1 49 ILE H . . 5.500 4.968 4.849 5.098 . 0 0 "[ . 1 . 2]" 1
564 1 48 VAL H 1 48 VAL HB . . 2.960 2.645 2.540 2.730 . 0 0 "[ . 1 . 2]" 1
565 1 48 VAL H 1 48 VAL MG2 . . 2.720 2.566 2.380 2.778 0.058 14 0 "[ . 1 . 2]" 1
566 1 48 VAL H 1 49 ILE H . . 4.470 4.420 4.378 4.457 . 0 0 "[ . 1 . 2]" 1
567 1 48 VAL H 1 49 ILE HA . . 5.100 5.031 4.996 5.055 . 0 0 "[ . 1 . 2]" 1
568 1 48 VAL HA 1 48 VAL MG2 . . 2.820 2.384 2.282 2.465 . 0 0 "[ . 1 . 2]" 1
569 1 48 VAL HA 1 49 ILE H . . 2.520 2.155 2.146 2.169 . 0 0 "[ . 1 . 2]" 1
570 1 48 VAL HA 1 49 ILE MD . . 5.500 3.408 2.808 3.941 . 0 0 "[ . 1 . 2]" 1
571 1 48 VAL HB 1 49 ILE H . . 4.820 4.104 3.962 4.232 . 0 0 "[ . 1 . 2]" 1
572 1 49 ILE H 1 49 ILE HB . . 3.020 2.688 2.632 2.756 . 0 0 "[ . 1 . 2]" 1
573 1 49 ILE H 1 49 ILE QG . . 3.200 3.070 2.902 3.231 0.031 5 0 "[ . 1 . 2]" 1
574 1 49 ILE HA 1 49 ILE MD . . 3.980 3.675 3.496 3.810 . 0 0 "[ . 1 . 2]" 1
575 1 49 ILE HA 1 49 ILE QG . . 3.220 2.380 2.302 2.440 . 0 0 "[ . 1 . 2]" 1
576 1 49 ILE HA 1 49 ILE MG . . 2.700 2.275 2.206 2.322 . 0 0 "[ . 1 . 2]" 1
577 1 49 ILE HA 1 50 THR H . . 2.650 2.141 2.139 2.148 . 0 0 "[ . 1 . 2]" 1
578 1 49 ILE HB 1 49 ILE MD . . 2.990 2.122 2.013 2.266 . 0 0 "[ . 1 . 2]" 1
579 1 49 ILE HB 1 50 THR H . . 4.450 4.286 4.203 4.356 . 0 0 "[ . 1 . 2]" 1
580 1 49 ILE HB 1 61 LEU QD . . 3.800 2.305 2.157 2.488 . 0 0 "[ . 1 . 2]" 1
581 1 49 ILE MD 1 65 VAL HA . . 4.550 4.227 3.453 4.567 0.017 1 0 "[ . 1 . 2]" 1
582 1 49 ILE MG 1 50 THR H . . 2.980 2.819 2.652 2.957 . 0 0 "[ . 1 . 2]" 1
583 1 49 ILE MG 1 61 LEU QD . . 3.200 1.838 1.734 2.244 . 0 0 "[ . 1 . 2]" 1
584 1 50 THR H 1 50 THR HB . . 2.940 2.562 2.526 2.626 . 0 0 "[ . 1 . 2]" 1
585 1 50 THR H 1 50 THR MG . . 3.910 3.814 3.798 3.822 . 0 0 "[ . 1 . 2]" 1
586 1 50 THR H 1 51 TYR H . . 4.620 4.427 4.397 4.474 . 0 0 "[ . 1 . 2]" 1
587 1 50 THR HA 1 50 THR MG . . 2.680 2.300 2.212 2.358 . 0 0 "[ . 1 . 2]" 1
588 1 50 THR HA 1 51 TYR H . . 2.590 2.143 2.141 2.146 . 0 0 "[ . 1 . 2]" 1
589 1 50 THR HA 1 51 TYR QD . . 3.830 3.520 3.331 3.681 . 0 0 "[ . 1 . 2]" 1
590 1 50 THR HB 1 51 TYR H . . 4.360 4.220 4.154 4.255 . 0 0 "[ . 1 . 2]" 1
591 1 50 THR MG 1 51 TYR H . . 3.230 2.532 2.450 2.675 . 0 0 "[ . 1 . 2]" 1
592 1 50 THR MG 1 51 TYR HA . . 3.850 3.660 3.574 3.781 . 0 0 "[ . 1 . 2]" 1
593 1 50 THR MG 1 51 TYR HB2 . . 5.500 5.366 5.281 5.476 . 0 0 "[ . 1 . 2]" 1
594 1 50 THR MG 1 51 TYR QD . . 4.540 4.247 4.154 4.407 . 0 0 "[ . 1 . 2]" 1
595 1 51 TYR H 1 51 TYR HB2 . . 4.060 3.893 3.879 3.900 . 0 0 "[ . 1 . 2]" 1
596 1 51 TYR H 1 51 TYR QD . . 3.270 2.031 1.927 2.223 . 0 0 "[ . 1 . 2]" 1
597 1 51 TYR H 1 51 TYR QE . . 4.280 4.184 4.052 4.329 0.049 19 0 "[ . 1 . 2]" 1
598 1 51 TYR H 1 52 GLN H . . 4.550 4.422 4.411 4.437 . 0 0 "[ . 1 . 2]" 1
599 1 51 TYR HA 1 51 TYR HB2 . . 2.980 2.322 2.303 2.349 . 0 0 "[ . 1 . 2]" 1
600 1 51 TYR HA 1 51 TYR QD . . 4.160 3.695 3.687 3.713 . 0 0 "[ . 1 . 2]" 1
601 1 51 TYR HA 1 52 GLN H . . 2.830 2.517 2.443 2.554 . 0 0 "[ . 1 . 2]" 1
602 1 51 TYR HA 1 56 ILE MG . . 5.070 3.919 3.817 4.036 . 0 0 "[ . 1 . 2]" 1
603 1 51 TYR HA 1 61 LEU QD . . 5.440 4.556 4.289 4.825 . 0 0 "[ . 1 . 2]" 1
604 1 51 TYR HB2 1 52 GLN H . . 2.980 2.408 2.294 2.541 . 0 0 "[ . 1 . 2]" 1
605 1 51 TYR HB2 1 52 GLN QB . . 4.720 4.644 4.526 4.734 0.014 18 0 "[ . 1 . 2]" 1
606 1 51 TYR HB2 1 56 ILE MG . . 3.080 2.338 2.234 2.393 . 0 0 "[ . 1 . 2]" 1
607 1 51 TYR HB2 1 61 LEU QD . . 3.520 3.349 3.105 3.530 0.010 8 0 "[ . 1 . 2]" 1
608 1 51 TYR HB3 1 52 GLN H . . 3.980 3.819 3.750 3.904 . 0 0 "[ . 1 . 2]" 1
609 1 51 TYR HB3 1 56 ILE MG . . 3.490 3.494 3.367 3.541 0.051 8 0 "[ . 1 . 2]" 1
610 1 51 TYR HB3 1 61 LEU MD1 . . 4.160 3.788 3.535 4.072 . 0 0 "[ . 1 . 2]" 1
611 1 51 TYR HB3 1 61 LEU QD . . 3.350 2.531 2.168 2.834 . 0 0 "[ . 1 . 2]" 1
612 1 51 TYR HB3 1 61 LEU MD2 . . 4.160 2.573 2.187 2.891 . 0 0 "[ . 1 . 2]" 1
613 1 51 TYR QD 1 52 GLN H . . 3.960 2.983 2.939 3.033 . 0 0 "[ . 1 . 2]" 1
614 1 51 TYR QD 1 56 ILE H . . 4.730 3.477 3.349 3.563 . 0 0 "[ . 1 . 2]" 1
615 1 51 TYR QD 1 56 ILE MG . . 3.190 1.868 1.839 1.908 . 0 0 "[ . 1 . 2]" 1
616 1 51 TYR QD 1 58 PRO HD3 . . 5.500 4.715 4.595 4.908 . 0 0 "[ . 1 . 2]" 1
617 1 51 TYR QD 1 61 LEU QD . . 3.930 2.662 2.506 2.872 . 0 0 "[ . 1 . 2]" 1
618 1 51 TYR QE 1 56 ILE H . . 5.330 4.752 4.694 4.879 . 0 0 "[ . 1 . 2]" 1
619 1 51 TYR QE 1 56 ILE MG . . 4.440 3.568 3.537 3.623 . 0 0 "[ . 1 . 2]" 1
620 1 51 TYR QE 1 57 GLN HA . . 4.110 2.143 2.086 2.381 . 0 0 "[ . 1 . 2]" 1
621 1 51 TYR QE 1 58 PRO HD2 . . 3.990 3.673 3.559 3.881 . 0 0 "[ . 1 . 2]" 1
622 1 51 TYR QE 1 58 PRO HD3 . . 3.520 2.443 2.309 2.628 . 0 0 "[ . 1 . 2]" 1
623 1 51 TYR QE 1 60 ASP H . . 5.500 5.604 5.559 5.687 0.187 8 0 "[ . 1 . 2]" 1
624 1 51 TYR QE 1 61 LEU H . . 5.500 5.279 5.187 5.414 . 0 0 "[ . 1 . 2]" 1
625 1 51 TYR QE 1 61 LEU MD1 . . 5.500 5.190 4.949 5.403 . 0 0 "[ . 1 . 2]" 1
626 1 51 TYR QE 1 61 LEU QD . . 4.500 3.127 2.966 3.308 . 0 0 "[ . 1 . 2]" 1
627 1 51 TYR QE 1 61 LEU MD2 . . 5.500 3.153 2.990 3.338 . 0 0 "[ . 1 . 2]" 1
628 1 52 GLN H 1 52 GLN QB . . 2.550 2.495 2.410 2.577 0.027 18 0 "[ . 1 . 2]" 1
629 1 52 GLN H 1 56 ILE H . . 5.420 3.518 3.422 3.608 . 0 0 "[ . 1 . 2]" 1
630 1 52 GLN H 1 56 ILE MG . . 3.430 2.802 2.664 2.881 . 0 0 "[ . 1 . 2]" 1
631 1 52 GLN QB 1 55 LEU H . . 5.050 2.794 2.569 3.222 . 0 0 "[ . 1 . 2]" 1
632 1 54 TYR H 1 54 TYR HB2 . . 3.030 2.937 2.823 3.323 0.293 12 0 "[ . 1 . 2]" 1
633 1 54 TYR H 1 54 TYR HB3 . . 3.030 2.325 2.263 3.299 0.269 12 0 "[ . 1 . 2]" 1
634 1 54 TYR H 1 54 TYR QD . . 4.260 3.946 2.728 4.049 . 0 0 "[ . 1 . 2]" 1
635 1 54 TYR H 1 55 LEU H . . 2.890 2.420 2.392 2.614 . 0 0 "[ . 1 . 2]" 1
636 1 54 TYR H 1 55 LEU HB2 . . 4.890 4.744 4.603 4.886 . 0 0 "[ . 1 . 2]" 1
637 1 54 TYR HA 1 54 TYR QB . . 2.540 2.259 2.152 2.274 . 0 0 "[ . 1 . 2]" 1
638 1 54 TYR HA 1 54 TYR QD . . 3.580 3.105 3.060 3.481 . 0 0 "[ . 1 . 2]" 1
639 1 54 TYR QB 1 55 LEU H . . 3.700 3.218 3.179 3.563 . 0 0 "[ . 1 . 2]" 1
640 1 54 TYR QB 1 55 LEU HG . . 4.120 3.197 3.005 3.817 . 0 0 "[ . 1 . 2]" 1
641 1 54 TYR HB2 1 55 LEU H . . 4.470 4.311 3.734 4.350 . 0 0 "[ . 1 . 2]" 1
642 1 54 TYR HB3 1 55 LEU H . . 4.470 3.355 3.272 4.505 0.035 12 0 "[ . 1 . 2]" 1
643 1 54 TYR QD 1 55 LEU H . . 4.120 3.630 3.406 3.683 . 0 0 "[ . 1 . 2]" 1
644 1 54 TYR QD 1 55 LEU HA . . 4.360 3.653 3.557 4.562 0.202 12 0 "[ . 1 . 2]" 1
645 1 54 TYR QD 1 55 LEU QD . . 3.610 2.121 1.998 2.598 . 0 0 "[ . 1 . 2]" 1
646 1 54 TYR QD 1 55 LEU HG . . 4.230 2.133 2.034 2.312 . 0 0 "[ . 1 . 2]" 1
647 1 54 TYR QD 1 56 ILE H . . 5.500 5.611 5.530 5.630 0.130 18 0 "[ . 1 . 2]" 1
648 1 55 LEU H 1 55 LEU HB2 . . 3.030 2.629 2.536 2.715 . 0 0 "[ . 1 . 2]" 1
649 1 55 LEU H 1 55 LEU HG . . 2.890 2.631 2.433 2.864 . 0 0 "[ . 1 . 2]" 1
650 1 55 LEU H 1 56 ILE H . . 2.700 2.605 2.536 2.692 . 0 0 "[ . 1 . 2]" 1
651 1 55 LEU HA 1 55 LEU HB3 . . 2.880 2.404 2.363 2.464 . 0 0 "[ . 1 . 2]" 1
652 1 55 LEU HA 1 55 LEU QD . . 2.500 2.234 1.981 2.434 . 0 0 "[ . 1 . 2]" 1
653 1 55 LEU HA 1 55 LEU HG . . 3.230 3.107 3.040 3.358 0.128 12 0 "[ . 1 . 2]" 1
654 1 55 LEU HB2 1 55 LEU QD . . 3.110 2.140 2.037 2.409 . 0 0 "[ . 1 . 2]" 1
655 1 55 LEU HB2 1 56 ILE H . . 3.350 1.898 1.871 1.916 . 0 0 "[ . 1 . 2]" 1
656 1 55 LEU HB2 1 56 ILE HB . . 4.000 3.892 3.724 4.093 0.093 12 0 "[ . 1 . 2]" 1
657 1 55 LEU HB3 1 55 LEU QD . . 2.910 2.116 2.067 2.157 . 0 0 "[ . 1 . 2]" 1
658 1 55 LEU HB3 1 56 ILE H . . 3.360 3.093 2.868 3.252 . 0 0 "[ . 1 . 2]" 1
659 1 55 LEU HB3 1 56 ILE HB . . 5.500 3.999 3.810 4.162 . 0 0 "[ . 1 . 2]" 1
660 1 56 ILE H 1 56 ILE HB . . 3.350 3.010 2.921 3.099 . 0 0 "[ . 1 . 2]" 1
661 1 56 ILE H 1 56 ILE MD . . 5.060 4.640 4.585 4.693 . 0 0 "[ . 1 . 2]" 1
662 1 56 ILE H 1 56 ILE MG . . 2.850 2.060 1.920 2.129 . 0 0 "[ . 1 . 2]" 1
663 1 56 ILE H 1 57 GLN H . . 4.700 4.489 4.466 4.508 . 0 0 "[ . 1 . 2]" 1
664 1 56 ILE HA 1 56 ILE MD . . 3.870 3.774 3.761 3.787 . 0 0 "[ . 1 . 2]" 1
665 1 56 ILE HA 1 56 ILE QG . . 3.150 2.325 2.304 2.363 . 0 0 "[ . 1 . 2]" 1
666 1 56 ILE HA 1 57 GLN H . . 2.900 2.319 2.300 2.330 . 0 0 "[ . 1 . 2]" 1
667 1 56 ILE HA 1 57 GLN HB2 . . 4.320 4.258 4.241 4.268 . 0 0 "[ . 1 . 2]" 1
668 1 56 ILE HA 1 60 ASP HB2 . . 4.930 4.845 4.727 4.921 . 0 0 "[ . 1 . 2]" 1
669 1 56 ILE HA 1 60 ASP HB3 . . 4.960 4.898 4.845 4.949 . 0 0 "[ . 1 . 2]" 1
670 1 56 ILE HB 1 56 ILE MD . . 2.560 2.351 2.306 2.397 . 0 0 "[ . 1 . 2]" 1
671 1 56 ILE HB 1 57 GLN H . . 4.240 3.929 3.884 3.951 . 0 0 "[ . 1 . 2]" 1
672 1 56 ILE MD 1 57 GLN H . . 3.700 3.666 3.640 3.712 0.012 8 0 "[ . 1 . 2]" 1
673 1 56 ILE MD 1 60 ASP H . . 4.470 4.530 4.493 4.558 0.088 9 0 "[ . 1 . 2]" 1
674 1 56 ILE MD 1 60 ASP HB2 . . 3.400 3.424 3.410 3.446 0.046 14 0 "[ . 1 . 2]" 1
675 1 56 ILE MD 1 60 ASP HB3 . . 3.380 2.096 1.993 2.249 . 0 0 "[ . 1 . 2]" 1
676 1 56 ILE MD 1 61 LEU H . . 3.480 3.087 2.957 3.124 . 0 0 "[ . 1 . 2]" 1
677 1 56 ILE MD 1 61 LEU HA . . 3.690 2.646 2.520 2.733 . 0 0 "[ . 1 . 2]" 1
678 1 56 ILE MD 1 61 LEU QB . . 2.530 2.626 2.602 2.648 0.118 19 0 "[ . 1 . 2]" 1
679 1 56 ILE MD 1 64 HIS H . . 5.500 5.003 4.816 5.175 . 0 0 "[ . 1 . 2]" 1
680 1 56 ILE QG 1 56 ILE MG . . 2.790 2.249 2.211 2.277 . 0 0 "[ . 1 . 2]" 1
681 1 56 ILE QG 1 57 GLN H . . 2.890 1.948 1.893 2.017 . 0 0 "[ . 1 . 2]" 1
682 1 56 ILE QG 1 60 ASP H . . 4.340 4.011 3.954 4.068 . 0 0 "[ . 1 . 2]" 1
683 1 56 ILE QG 1 60 ASP HB2 . . 3.360 2.712 2.629 2.796 . 0 0 "[ . 1 . 2]" 1
684 1 56 ILE QG 1 60 ASP HB3 . . 3.680 2.327 2.252 2.388 . 0 0 "[ . 1 . 2]" 1
685 1 56 ILE QG 1 61 LEU QD . . 4.980 4.319 4.166 4.484 . 0 0 "[ . 1 . 2]" 1
686 1 56 ILE MG 1 57 GLN H . . 3.760 3.496 3.412 3.633 . 0 0 "[ . 1 . 2]" 1
687 1 56 ILE MG 1 61 LEU QD . . 3.520 3.296 3.074 3.500 . 0 0 "[ . 1 . 2]" 1
688 1 57 GLN H 1 57 GLN HB2 . . 2.720 2.157 2.141 2.168 . 0 0 "[ . 1 . 2]" 1
689 1 57 GLN H 1 58 PRO HD2 . . 4.900 4.691 4.683 4.699 . 0 0 "[ . 1 . 2]" 1
690 1 57 GLN H 1 58 PRO HD3 . . 5.230 5.120 5.118 5.121 . 0 0 "[ . 1 . 2]" 1
691 1 57 GLN H 1 59 GLU H . . 5.500 5.582 5.560 5.601 0.101 9 0 "[ . 1 . 2]" 1
692 1 57 GLN H 1 60 ASP H . . 4.190 4.212 4.188 4.238 0.048 12 0 "[ . 1 . 2]" 1
693 1 57 GLN H 1 60 ASP HB2 . . 3.380 2.867 2.750 2.957 . 0 0 "[ . 1 . 2]" 1
694 1 57 GLN H 1 60 ASP HB3 . . 3.530 3.552 3.532 3.581 0.051 14 0 "[ . 1 . 2]" 1
695 1 57 GLN H 1 61 LEU H . . 4.690 4.620 4.560 4.709 0.019 8 0 "[ . 1 . 2]" 1
696 1 57 GLN HA 1 57 GLN HB2 . . 2.930 2.928 2.926 2.933 0.003 14 0 "[ . 1 . 2]" 1
697 1 57 GLN HA 1 57 GLN HB3 . . 2.900 2.753 2.743 2.756 . 0 0 "[ . 1 . 2]" 1
698 1 57 GLN HA 1 58 PRO HD2 . . 3.260 2.618 2.604 2.628 . 0 0 "[ . 1 . 2]" 1
699 1 57 GLN HA 1 58 PRO HD3 . . 2.480 2.409 2.401 2.415 . 0 0 "[ . 1 . 2]" 1
700 1 57 GLN HA 1 59 GLU H . . 5.290 4.602 4.580 4.630 . 0 0 "[ . 1 . 2]" 1
701 1 57 GLN HB2 1 58 PRO HD2 . . 3.570 3.475 3.460 3.492 . 0 0 "[ . 1 . 2]" 1
702 1 57 GLN HB2 1 59 GLU H . . 4.600 4.363 4.339 4.395 . 0 0 "[ . 1 . 2]" 1
703 1 57 GLN HB2 1 60 ASP H . . 3.520 3.426 3.394 3.450 . 0 0 "[ . 1 . 2]" 1
704 1 57 GLN HB2 1 60 ASP HB2 . . 4.060 2.716 2.661 2.775 . 0 0 "[ . 1 . 2]" 1
705 1 57 GLN HB3 1 58 PRO HD2 . . 2.820 1.973 1.959 1.987 . 0 0 "[ . 1 . 2]" 1
706 1 57 GLN HB3 1 58 PRO HD3 . . 3.390 3.416 3.403 3.427 0.037 5 0 "[ . 1 . 2]" 1
707 1 57 GLN HB3 1 60 ASP H . . 2.840 2.812 2.772 2.842 0.002 3 0 "[ . 1 . 2]" 1
708 1 57 GLN HB3 1 60 ASP HB2 . . 3.370 3.286 3.217 3.353 . 0 0 "[ . 1 . 2]" 1
709 1 58 PRO HD2 1 59 GLU H . . 3.560 2.709 2.701 2.720 . 0 0 "[ . 1 . 2]" 1
710 1 58 PRO HD3 1 59 GLU H . . 4.560 3.856 3.853 3.860 . 0 0 "[ . 1 . 2]" 1
711 1 59 GLU H 1 59 GLU HA . . 2.860 2.807 2.804 2.811 . 0 0 "[ . 1 . 2]" 1
712 1 59 GLU H 1 59 GLU QB . . 2.340 2.219 2.070 2.331 . 0 0 "[ . 1 . 2]" 1
713 1 59 GLU H 1 59 GLU HG2 . . 4.510 4.060 3.452 4.499 . 0 0 "[ . 1 . 2]" 1
714 1 59 GLU H 1 59 GLU HG3 . . 4.510 3.364 2.461 4.421 . 0 0 "[ . 1 . 2]" 1
715 1 59 GLU H 1 60 ASP H . . 3.020 2.656 2.641 2.675 . 0 0 "[ . 1 . 2]" 1
716 1 59 GLU H 1 61 LEU H . . 4.510 4.253 4.227 4.284 . 0 0 "[ . 1 . 2]" 1
717 1 59 GLU HA 1 59 GLU QB . . 2.520 2.451 2.373 2.522 0.002 10 0 "[ . 1 . 2]" 1
718 1 59 GLU HA 1 59 GLU HG2 . . 3.300 2.554 2.148 3.116 . 0 0 "[ . 1 . 2]" 1
719 1 59 GLU HA 1 59 GLU QG . . 2.840 2.301 2.102 2.432 . 0 0 "[ . 1 . 2]" 1
720 1 59 GLU HA 1 59 GLU HG3 . . 3.300 2.772 2.174 3.191 . 0 0 "[ . 1 . 2]" 1
721 1 59 GLU HA 1 62 ARG H . . 3.560 3.477 3.443 3.548 . 0 0 "[ . 1 . 2]" 1
722 1 59 GLU QB 1 60 ASP H . . 3.720 2.718 2.651 2.820 . 0 0 "[ . 1 . 2]" 1
723 1 59 GLU QG 1 60 ASP H . . 5.340 4.231 3.810 4.497 . 0 0 "[ . 1 . 2]" 1
724 1 60 ASP H 1 60 ASP HB2 . . 3.090 2.079 2.076 2.085 . 0 0 "[ . 1 . 2]" 1
725 1 60 ASP H 1 60 ASP HB3 . . 3.370 3.269 3.207 3.346 . 0 0 "[ . 1 . 2]" 1
726 1 60 ASP H 1 61 LEU H . . 2.800 2.615 2.600 2.635 . 0 0 "[ . 1 . 2]" 1
727 1 60 ASP H 1 61 LEU HA . . 5.410 5.237 5.223 5.254 . 0 0 "[ . 1 . 2]" 1
728 1 60 ASP H 1 61 LEU HG . . 5.020 5.013 4.959 5.036 0.016 18 0 "[ . 1 . 2]" 1
729 1 60 ASP H 1 62 ARG H . . 3.860 3.871 3.844 3.887 0.027 4 0 "[ . 1 . 2]" 1
730 1 60 ASP H 1 63 ASP H . . 5.500 5.288 5.040 5.530 0.030 15 0 "[ . 1 . 2]" 1
731 1 60 ASP HA 1 60 ASP HB2 . . 3.000 2.858 2.825 2.900 . 0 0 "[ . 1 . 2]" 1
732 1 60 ASP HA 1 63 ASP H . . 3.990 3.756 3.635 3.896 . 0 0 "[ . 1 . 2]" 1
733 1 60 ASP HB2 1 61 LEU H . . 3.490 3.134 3.054 3.209 . 0 0 "[ . 1 . 2]" 1
734 1 60 ASP HB3 1 61 LEU H . . 3.350 2.918 2.839 3.054 . 0 0 "[ . 1 . 2]" 1
735 1 61 LEU H 1 61 LEU QB . . 2.750 2.155 2.144 2.177 . 0 0 "[ . 1 . 2]" 1
736 1 61 LEU H 1 61 LEU MD1 . . 4.410 4.169 4.147 4.181 . 0 0 "[ . 1 . 2]" 1
737 1 61 LEU H 1 61 LEU QD . . 3.410 3.222 3.193 3.256 . 0 0 "[ . 1 . 2]" 1
738 1 61 LEU H 1 61 LEU MD2 . . 4.410 3.353 3.320 3.397 . 0 0 "[ . 1 . 2]" 1
739 1 61 LEU H 1 61 LEU HG . . 2.990 3.039 2.986 3.063 0.073 18 0 "[ . 1 . 2]" 1
740 1 61 LEU H 1 62 ARG H . . 3.030 2.560 2.538 2.585 . 0 0 "[ . 1 . 2]" 1
741 1 61 LEU H 1 63 ASP H . . 4.600 4.449 4.336 4.568 . 0 0 "[ . 1 . 2]" 1
742 1 61 LEU HA 1 61 LEU HB2 . . 3.010 2.255 2.252 2.262 . 0 0 "[ . 1 . 2]" 1
743 1 61 LEU HA 1 61 LEU QB . . 2.560 2.141 2.140 2.143 . 0 0 "[ . 1 . 2]" 1
744 1 61 LEU HA 1 61 LEU HB3 . . 3.010 2.666 2.654 2.672 . 0 0 "[ . 1 . 2]" 1
745 1 61 LEU HA 1 61 LEU MD1 . . 4.330 3.297 3.225 3.378 . 0 0 "[ . 1 . 2]" 1
746 1 61 LEU HA 1 61 LEU QD . . 3.280 3.171 3.116 3.230 . 0 0 "[ . 1 . 2]" 1
747 1 61 LEU HA 1 61 LEU MD2 . . 4.330 4.117 4.109 4.126 . 0 0 "[ . 1 . 2]" 1
748 1 61 LEU HA 1 61 LEU HG . . 3.780 3.668 3.661 3.674 . 0 0 "[ . 1 . 2]" 1
749 1 61 LEU HA 1 64 HIS H . . 3.650 3.240 3.135 3.337 . 0 0 "[ . 1 . 2]" 1
750 1 61 LEU HA 1 64 HIS HA . . 5.500 5.186 5.078 5.339 . 0 0 "[ . 1 . 2]" 1
751 1 61 LEU HA 1 64 HIS HB2 . . 3.810 3.028 2.587 3.465 . 0 0 "[ . 1 . 2]" 1
752 1 61 LEU HA 1 64 HIS HB3 . . 3.810 3.058 2.571 3.469 . 0 0 "[ . 1 . 2]" 1
753 1 61 LEU QB 1 61 LEU QD . . 2.360 1.758 1.739 1.782 . 0 0 "[ . 1 . 2]" 1
754 1 61 LEU QB 1 62 ARG H . . 3.730 3.513 3.465 3.601 . 0 0 "[ . 1 . 2]" 1
755 1 61 LEU HB2 1 61 LEU MD1 . . 3.190 2.037 2.005 2.095 . 0 0 "[ . 1 . 2]" 1
756 1 61 LEU HB2 1 61 LEU MD2 . . 3.190 2.675 2.656 2.686 . 0 0 "[ . 1 . 2]" 1
757 1 61 LEU HB2 1 62 ARG H . . 4.430 4.253 4.208 4.348 . 0 0 "[ . 1 . 2]" 1
758 1 61 LEU HB3 1 61 LEU MD1 . . 3.190 3.120 3.107 3.130 . 0 0 "[ . 1 . 2]" 1
759 1 61 LEU HB3 1 61 LEU MD2 . . 3.190 1.992 1.974 2.031 . 0 0 "[ . 1 . 2]" 1
760 1 61 LEU HB3 1 62 ARG H . . 4.430 3.745 3.687 3.843 . 0 0 "[ . 1 . 2]" 1
761 1 61 LEU QD 1 62 ARG H . . 3.480 3.271 3.182 3.417 . 0 0 "[ . 1 . 2]" 1
762 1 61 LEU QD 1 63 ASP H . . 5.150 4.714 4.660 4.794 . 0 0 "[ . 1 . 2]" 1
763 1 61 LEU QD 1 64 HIS QB . . 4.430 3.509 3.179 3.830 . 0 0 "[ . 1 . 2]" 1
764 1 61 LEU QD 1 65 VAL H . . 5.380 3.745 3.521 3.990 . 0 0 "[ . 1 . 2]" 1
765 1 61 LEU MD1 1 62 ARG H . . 4.910 3.497 3.386 3.644 . 0 0 "[ . 1 . 2]" 1
766 1 61 LEU MD2 1 62 ARG H . . 4.910 3.937 3.864 4.131 . 0 0 "[ . 1 . 2]" 1
767 1 62 ARG H 1 62 ARG QB . . 3.150 2.206 2.055 2.247 . 0 0 "[ . 1 . 2]" 1
768 1 62 ARG H 1 63 ASP H . . 2.970 2.719 2.656 2.802 . 0 0 "[ . 1 . 2]" 1
769 1 62 ARG H 1 63 ASP QB . . 5.500 4.562 4.386 4.876 . 0 0 "[ . 1 . 2]" 1
770 1 62 ARG H 1 64 HIS QB . . 5.340 4.806 4.673 4.905 . 0 0 "[ . 1 . 2]" 1
771 1 62 ARG H 1 65 VAL H . . 5.500 5.013 4.872 5.227 . 0 0 "[ . 1 . 2]" 1
772 1 62 ARG HA 1 65 VAL QG . . 4.190 2.381 2.119 2.847 . 0 0 "[ . 1 . 2]" 1
773 1 62 ARG QB 1 63 ASP H . . 3.120 2.565 2.501 2.698 . 0 0 "[ . 1 . 2]" 1
774 1 62 ARG QB 1 64 HIS H . . 5.500 4.642 4.505 4.744 . 0 0 "[ . 1 . 2]" 1
775 1 62 ARG QD 1 73 ALA HA . . 4.710 4.676 3.775 4.753 0.043 20 0 "[ . 1 . 2]" 1
776 1 62 ARG QD 1 74 ILE H . . 4.780 4.393 3.139 4.830 0.050 18 0 "[ . 1 . 2]" 1
777 1 62 ARG QG 1 63 ASP H . . 4.510 3.829 3.353 4.479 . 0 0 "[ . 1 . 2]" 1
778 1 63 ASP H 1 63 ASP QB . . 2.640 2.311 2.195 2.577 . 0 0 "[ . 1 . 2]" 1
779 1 63 ASP H 1 64 HIS QB . . 5.090 4.317 4.285 4.349 . 0 0 "[ . 1 . 2]" 1
780 1 63 ASP H 1 65 VAL H . . 4.510 4.221 4.160 4.296 . 0 0 "[ . 1 . 2]" 1
781 1 63 ASP H 1 65 VAL QG . . 5.440 4.565 4.419 4.803 . 0 0 "[ . 1 . 2]" 1
782 1 63 ASP H 1 66 ASN H . . 5.500 5.171 5.062 5.244 . 0 0 "[ . 1 . 2]" 1
783 1 63 ASP H 1 66 ASN QB . . 5.340 5.356 5.192 5.429 0.089 16 0 "[ . 1 . 2]" 1
784 1 63 ASP HA 1 63 ASP QB . . 2.400 2.339 2.267 2.401 0.001 11 0 "[ . 1 . 2]" 1
785 1 63 ASP HA 1 66 ASN H . . 3.570 3.498 3.319 3.611 0.041 20 0 "[ . 1 . 2]" 1
786 1 63 ASP HA 1 66 ASN QB . . 3.210 2.984 2.836 3.109 . 0 0 "[ . 1 . 2]" 1
787 1 64 HIS H 1 64 HIS HA . . 2.930 2.805 2.751 2.839 . 0 0 "[ . 1 . 2]" 1
788 1 64 HIS H 1 64 HIS HB2 . . 2.910 2.467 2.162 2.890 . 0 0 "[ . 1 . 2]" 1
789 1 64 HIS H 1 64 HIS HB3 . . 2.910 2.643 2.236 2.998 0.088 16 0 "[ . 1 . 2]" 1
790 1 64 HIS H 1 65 VAL H . . 3.020 2.676 2.578 2.823 . 0 0 "[ . 1 . 2]" 1
791 1 64 HIS H 1 65 VAL HB . . 5.500 5.009 4.854 5.163 . 0 0 "[ . 1 . 2]" 1
792 1 64 HIS H 1 65 VAL QG . . 4.130 3.889 3.686 4.055 . 0 0 "[ . 1 . 2]" 1
793 1 64 HIS H 1 66 ASN H . . 4.530 4.332 4.250 4.421 . 0 0 "[ . 1 . 2]" 1
794 1 64 HIS HA 1 64 HIS QB . . 2.530 2.384 2.246 2.508 . 0 0 "[ . 1 . 2]" 1
795 1 64 HIS HA 1 65 VAL HA . . 5.500 4.829 4.778 4.852 . 0 0 "[ . 1 . 2]" 1
796 1 64 HIS QB 1 65 VAL H . . 3.320 2.691 2.637 2.764 . 0 0 "[ . 1 . 2]" 1
797 1 64 HIS QB 1 65 VAL HB . . 5.340 5.042 4.895 5.183 . 0 0 "[ . 1 . 2]" 1
798 1 64 HIS QB 1 65 VAL QG . . 4.030 3.262 3.100 3.427 . 0 0 "[ . 1 . 2]" 1
799 1 64 HIS HB2 1 65 VAL H . . 4.160 3.815 3.510 4.091 . 0 0 "[ . 1 . 2]" 1
800 1 64 HIS HB3 1 65 VAL H . . 4.160 2.756 2.707 2.813 . 0 0 "[ . 1 . 2]" 1
801 1 65 VAL H 1 65 VAL HB . . 2.760 2.640 2.559 2.685 . 0 0 "[ . 1 . 2]" 1
802 1 65 VAL H 1 65 VAL QG . . 2.990 2.058 1.919 2.182 . 0 0 "[ . 1 . 2]" 1
803 1 65 VAL H 1 66 ASN H . . 2.810 2.754 2.681 2.806 . 0 0 "[ . 1 . 2]" 1
804 1 65 VAL H 1 66 ASN QB . . 4.610 4.459 4.417 4.523 . 0 0 "[ . 1 . 2]" 1
805 1 65 VAL HA 1 67 ASP H . . 5.500 4.039 3.816 4.341 . 0 0 "[ . 1 . 2]" 1
806 1 65 VAL HA 1 68 MET H . . 4.010 3.780 3.592 3.925 . 0 0 "[ . 1 . 2]" 1
807 1 65 VAL HA 1 68 MET QG . . 3.180 3.070 2.278 3.239 0.059 11 0 "[ . 1 . 2]" 1
808 1 65 VAL HB 1 66 ASN H . . 3.100 2.515 2.452 2.614 . 0 0 "[ . 1 . 2]" 1
809 1 65 VAL HB 1 67 ASP H . . 5.500 4.758 4.658 4.845 . 0 0 "[ . 1 . 2]" 1
810 1 65 VAL QG 1 66 ASN H . . 3.760 3.213 3.175 3.259 . 0 0 "[ . 1 . 2]" 1
811 1 66 ASN H 1 66 ASN HB2 . . 3.480 2.544 2.070 2.848 . 0 0 "[ . 1 . 2]" 1
812 1 66 ASN H 1 66 ASN QB . . 2.750 2.151 2.048 2.255 . 0 0 "[ . 1 . 2]" 1
813 1 66 ASN H 1 66 ASN HB3 . . 3.480 2.641 2.266 3.385 . 0 0 "[ . 1 . 2]" 1
814 1 66 ASN H 1 69 GLY H . . 5.500 5.548 5.424 5.613 0.113 20 0 "[ . 1 . 2]" 1
815 1 66 ASN HA 1 68 MET H . . 3.950 3.666 3.559 3.777 . 0 0 "[ . 1 . 2]" 1
816 1 66 ASN HA 1 69 GLY H . . 4.240 3.663 3.461 3.827 . 0 0 "[ . 1 . 2]" 1
817 1 66 ASN HA 1 70 PHE H . . 4.180 3.862 3.297 4.214 0.034 1 0 "[ . 1 . 2]" 1
818 1 66 ASN HA 1 72 ALA H . . 4.780 4.786 4.501 4.907 0.127 7 0 "[ . 1 . 2]" 1
819 1 66 ASN QB 1 67 ASP H . . 3.540 2.967 2.798 3.119 . 0 0 "[ . 1 . 2]" 1
820 1 67 ASP H 1 67 ASP HA . . 2.940 2.806 2.784 2.833 . 0 0 "[ . 1 . 2]" 1
821 1 67 ASP H 1 67 ASP HB2 . . 2.690 2.262 2.218 2.332 . 0 0 "[ . 1 . 2]" 1
822 1 67 ASP H 1 67 ASP HB3 . . 2.900 2.841 2.766 2.896 . 0 0 "[ . 1 . 2]" 1
823 1 67 ASP H 1 68 MET H . . 3.020 2.635 2.554 2.693 . 0 0 "[ . 1 . 2]" 1
824 1 67 ASP H 1 69 GLY H . . 4.280 4.168 4.055 4.227 . 0 0 "[ . 1 . 2]" 1
825 1 67 ASP HA 1 67 ASP HB2 . . 2.720 2.615 2.590 2.640 . 0 0 "[ . 1 . 2]" 1
826 1 67 ASP HA 1 69 GLY H . . 3.940 3.533 3.447 3.660 . 0 0 "[ . 1 . 2]" 1
827 1 67 ASP HB2 1 68 MET H . . 3.920 3.892 3.861 3.925 0.005 12 0 "[ . 1 . 2]" 1
828 1 67 ASP HB3 1 68 MET H . . 3.540 3.079 3.042 3.111 . 0 0 "[ . 1 . 2]" 1
829 1 68 MET H 1 68 MET QG . . 2.530 2.382 1.960 2.572 0.042 6 0 "[ . 1 . 2]" 1
830 1 68 MET H 1 69 GLY H . . 2.870 2.560 2.462 2.621 . 0 0 "[ . 1 . 2]" 1
831 1 68 MET H 1 69 GLY QA . . 5.000 4.492 4.423 4.535 . 0 0 "[ . 1 . 2]" 1
832 1 68 MET H 1 70 PHE H . . 4.060 3.894 3.757 4.007 . 0 0 "[ . 1 . 2]" 1
833 1 68 MET H 1 70 PHE QD . . 5.210 4.742 4.070 5.224 0.014 13 0 "[ . 1 . 2]" 1
834 1 68 MET HA 1 68 MET HG2 . . 3.560 2.822 2.489 3.383 . 0 0 "[ . 1 . 2]" 1
835 1 68 MET HA 1 68 MET QG . . 3.040 2.630 2.427 3.144 0.104 16 0 "[ . 1 . 2]" 1
836 1 68 MET HA 1 68 MET HG3 . . 3.560 3.298 2.686 3.734 0.174 16 0 "[ . 1 . 2]" 1
837 1 68 MET QB 1 70 PHE H . . 3.290 2.808 2.523 3.289 . 0 0 "[ . 1 . 2]" 1
838 1 68 MET QB 1 70 PHE HA . . 5.180 4.969 4.749 5.086 . 0 0 "[ . 1 . 2]" 1
839 1 68 MET QG 1 69 GLY H . . 5.270 4.342 4.057 4.475 . 0 0 "[ . 1 . 2]" 1
840 1 69 GLY H 1 70 PHE H . . 2.630 2.497 2.325 2.648 0.018 14 0 "[ . 1 . 2]" 1
841 1 69 GLY H 1 70 PHE HA . . 5.500 5.065 5.019 5.127 . 0 0 "[ . 1 . 2]" 1
842 1 69 GLY H 1 70 PHE QD . . 5.500 4.309 3.323 5.086 . 0 0 "[ . 1 . 2]" 1
843 1 69 GLY QA 1 70 PHE HA . . 4.510 4.022 4.006 4.060 . 0 0 "[ . 1 . 2]" 1
844 1 70 PHE H 1 70 PHE HB2 . . 3.470 2.497 2.164 2.726 . 0 0 "[ . 1 . 2]" 1
845 1 70 PHE H 1 70 PHE HB3 . . 3.940 3.648 3.413 3.746 . 0 0 "[ . 1 . 2]" 1
846 1 70 PHE H 1 70 PHE QD . . 3.450 2.712 2.208 3.443 . 0 0 "[ . 1 . 2]" 1
847 1 70 PHE H 1 71 GLU H . . 4.710 4.520 4.438 4.582 . 0 0 "[ . 1 . 2]" 1
848 1 70 PHE HA 1 70 PHE QD . . 3.460 2.832 2.334 3.133 . 0 0 "[ . 1 . 2]" 1
849 1 70 PHE HA 1 71 GLU H . . 2.570 2.483 2.341 2.615 0.045 3 0 "[ . 1 . 2]" 1
850 1 70 PHE HB2 1 71 GLU H . . 3.790 3.494 3.269 3.777 . 0 0 "[ . 1 . 2]" 1
851 1 70 PHE HB2 1 72 ALA MB . . 4.730 3.911 2.881 4.753 0.023 13 0 "[ . 1 . 2]" 1
852 1 70 PHE HB3 1 71 GLU H . . 2.730 2.300 2.000 2.614 . 0 0 "[ . 1 . 2]" 1
853 1 70 PHE QD 1 71 GLU H . . 4.240 3.617 2.336 4.125 . 0 0 "[ . 1 . 2]" 1
854 1 71 GLU H 1 71 GLU HB2 . . 2.750 2.599 2.254 2.731 . 0 0 "[ . 1 . 2]" 1
855 1 71 GLU H 1 72 ALA H . . 4.540 3.477 2.260 4.450 . 0 0 "[ . 1 . 2]" 1
856 1 71 GLU H 1 72 ALA MB . . 5.140 4.541 3.950 5.049 . 0 0 "[ . 1 . 2]" 1
857 1 71 GLU HA 1 71 GLU HB3 . . 2.730 2.637 2.367 3.008 0.278 5 0 "[ . 1 . 2]" 1
858 1 71 GLU HA 1 72 ALA H . . 3.130 2.617 2.145 3.219 0.089 12 0 "[ . 1 . 2]" 1
859 1 71 GLU HA 1 72 ALA MB . . 4.590 4.249 3.888 4.651 0.061 12 0 "[ . 1 . 2]" 1
860 1 71 GLU HB3 1 72 ALA H . . 3.360 3.536 3.342 3.828 0.468 7 0 "[ . 1 . 2]" 1
861 1 71 GLU HB3 1 72 ALA HA . . 5.500 4.600 4.289 4.823 . 0 0 "[ . 1 . 2]" 1
862 1 72 ALA H 1 72 ALA MB . . 2.810 2.293 2.046 2.496 . 0 0 "[ . 1 . 2]" 1
863 1 72 ALA H 1 73 ALA H . . 4.660 4.511 4.439 4.596 . 0 0 "[ . 1 . 2]" 1
864 1 72 ALA HA 1 73 ALA H . . 2.500 2.200 2.187 2.212 . 0 0 "[ . 1 . 2]" 1
865 1 72 ALA MB 1 73 ALA H . . 3.680 2.933 2.858 3.005 . 0 0 "[ . 1 . 2]" 1
866 1 73 ALA H 1 73 ALA MB . . 2.700 2.536 2.407 2.620 . 0 0 "[ . 1 . 2]" 1
867 1 73 ALA H 1 74 ILE H . . 4.480 4.403 4.366 4.437 . 0 0 "[ . 1 . 2]" 1
868 1 73 ALA HA 1 74 ILE H . . 2.720 2.249 2.206 2.373 . 0 0 "[ . 1 . 2]" 1
869 1 73 ALA HA 1 74 ILE HB . . 4.960 4.835 4.751 4.992 0.032 3 0 "[ . 1 . 2]" 1
870 1 74 ILE H 1 74 ILE HB . . 2.730 2.610 2.556 2.722 . 0 0 "[ . 1 . 2]" 1
871 1 74 ILE H 1 74 ILE QG . . 3.550 2.047 1.925 2.532 . 0 0 "[ . 1 . 2]" 1
872 1 74 ILE H 1 74 ILE MG . . 3.930 3.764 3.753 3.769 . 0 0 "[ . 1 . 2]" 1
873 1 74 ILE HA 1 74 ILE MG . . 3.060 2.306 2.191 2.419 . 0 0 "[ . 1 . 2]" 1
874 1 74 ILE HA 1 75 LYS H . . 2.720 2.148 2.140 2.220 . 0 0 "[ . 1 . 2]" 1
875 1 74 ILE MG 1 75 LYS H . . 3.060 2.504 2.271 2.722 . 0 0 "[ . 1 . 2]" 1
876 1 74 ILE MG 1 75 LYS HA . . 4.420 4.201 3.760 4.413 . 0 0 "[ . 1 . 2]" 1
877 1 74 ILE MG 1 76 SER H . . 4.430 2.434 1.875 4.635 0.205 4 0 "[ . 1 . 2]" 1
878 1 74 ILE MG 1 76 SER HA . . 4.180 3.979 3.301 4.161 . 0 0 "[ . 1 . 2]" 1
879 1 75 LYS H 1 75 LYS QB . . 2.730 2.319 2.154 2.605 . 0 0 "[ . 1 . 2]" 1
880 1 75 LYS H 1 75 LYS QD . . 4.310 4.047 2.063 4.331 0.021 1 0 "[ . 1 . 2]" 1
881 1 75 LYS H 1 76 SER H . . 3.700 2.914 2.259 4.251 0.551 4 1 "[ +. 1 . 2]" 1
882 1 75 LYS HA 1 76 SER QB . . 5.220 5.006 4.069 5.222 0.002 1 0 "[ . 1 . 2]" 1
883 1 75 LYS QB 1 76 SER H . . 3.490 2.687 1.823 3.528 0.038 3 0 "[ . 1 . 2]" 1
884 1 75 LYS QB 1 76 SER QB . . 4.560 3.894 3.112 4.541 . 0 0 "[ . 1 . 2]" 1
885 1 75 LYS QD 1 76 SER H . . 4.760 3.576 1.915 4.729 . 0 0 "[ . 1 . 2]" 1
886 1 76 SER H 1 76 SER QB . . 2.970 2.423 2.163 2.851 . 0 0 "[ . 1 . 2]" 1
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