NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
432324 |
2js4   |
15353 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2js4
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 557
_Distance_constraint_stats_list.Viol_count 419
_Distance_constraint_stats_list.Viol_total 592.176
_Distance_constraint_stats_list.Viol_max 0.304
_Distance_constraint_stats_list.Viol_rms 0.0181
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0707
_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 3 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ASP 0.108 0.089 1 0 "[ . 1 . 2]"
1 8 ILE 0.201 0.094 5 0 "[ . 1 . 2]"
1 9 LEU 0.414 0.072 6 0 "[ . 1 . 2]"
1 10 VAL 0.467 0.072 18 0 "[ . 1 . 2]"
1 11 CYS 0.597 0.192 16 0 "[ . 1 . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 0.048 0.005 3 0 "[ . 1 . 2]"
1 14 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LYS 3.165 0.231 3 0 "[ . 1 . 2]"
1 16 GLY 1.079 0.249 20 0 "[ . 1 . 2]"
1 17 ARG 0.749 0.249 20 0 "[ . 1 . 2]"
1 18 LEU 0.063 0.025 9 0 "[ . 1 . 2]"
1 19 GLU 3.995 0.162 4 0 "[ . 1 . 2]"
1 20 PHE 0.650 0.145 2 0 "[ . 1 . 2]"
1 21 GLN 2.298 0.129 9 0 "[ . 1 . 2]"
1 22 ARG 0.676 0.257 16 0 "[ . 1 . 2]"
1 23 ALA 0.429 0.257 16 0 "[ . 1 . 2]"
1 24 GLN 0.172 0.172 6 0 "[ . 1 . 2]"
1 25 ALA 0.336 0.181 17 0 "[ . 1 . 2]"
1 26 GLU 0.190 0.078 8 0 "[ . 1 . 2]"
1 27 LEU 2.085 0.162 4 0 "[ . 1 . 2]"
1 28 VAL 0.133 0.053 9 0 "[ . 1 . 2]"
1 29 CYS 0.014 0.014 19 0 "[ . 1 . 2]"
1 30 ASN 1.901 0.116 4 0 "[ . 1 . 2]"
1 31 ALA 0.114 0.057 1 0 "[ . 1 . 2]"
1 32 ASP 0.158 0.070 4 0 "[ . 1 . 2]"
1 33 ARG 3.820 0.287 4 0 "[ . 1 . 2]"
1 34 LEU 2.465 0.142 4 0 "[ . 1 . 2]"
1 35 ALA 1.475 0.142 4 0 "[ . 1 . 2]"
1 36 PHE 0.366 0.053 9 0 "[ . 1 . 2]"
1 37 PRO 0.011 0.011 15 0 "[ . 1 . 2]"
1 38 VAL 0.030 0.030 12 0 "[ . 1 . 2]"
1 39 ARG 0.486 0.069 8 0 "[ . 1 . 2]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 VAL 0.417 0.051 20 0 "[ . 1 . 2]"
1 43 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ILE 0.069 0.069 8 0 "[ . 1 . 2]"
1 45 MET 0.717 0.072 6 0 "[ . 1 . 2]"
1 46 LEU 0.324 0.060 11 0 "[ . 1 . 2]"
1 47 GLU 0.124 0.083 13 0 "[ . 1 . 2]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLU 0.324 0.060 11 0 "[ . 1 . 2]"
1 50 ALA 0.124 0.083 13 0 "[ . 1 . 2]"
1 51 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 SER 7.206 0.304 7 0 "[ . 1 . 2]"
1 53 LEU 4.744 0.304 7 0 "[ . 1 . 2]"
1 54 ASP 0.206 0.073 12 0 "[ . 1 . 2]"
1 55 ALA 0.351 0.129 17 0 "[ . 1 . 2]"
1 56 GLU 0.910 0.226 12 0 "[ . 1 . 2]"
1 57 ALA 0.829 0.226 12 0 "[ . 1 . 2]"
1 58 PRO 0.244 0.114 16 0 "[ . 1 . 2]"
1 59 ALA 0.244 0.114 16 0 "[ . 1 . 2]"
1 60 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 PRO 0.287 0.287 2 0 "[ . 1 . 2]"
1 62 SER 0.287 0.287 2 0 "[ . 1 . 2]"
1 63 LEU 0.180 0.113 18 0 "[ . 1 . 2]"
1 64 GLU 0.113 0.113 18 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 3 SER QB 1 4 ARG H . . 5.950 3.273 1.765 4.005 . 0 0 "[ . 1 . 2]" 1
2 1 3 SER QB 1 4 ARG QG . . 7.260 4.883 2.766 6.104 . 0 0 "[ . 1 . 2]" 1
3 1 4 ARG H 1 4 ARG QB . . 3.530 2.545 2.241 2.947 . 0 0 "[ . 1 . 2]" 1
4 1 6 LEU H 1 6 LEU MD1 . . 5.840 3.832 2.104 4.787 . 0 0 "[ . 1 . 2]" 1
5 1 6 LEU HA 1 6 LEU MD2 . . 4.290 2.670 1.888 3.864 . 0 0 "[ . 1 . 2]" 1
6 1 6 LEU HA 1 6 LEU HG . . 3.760 3.152 2.454 3.713 . 0 0 "[ . 1 . 2]" 1
7 1 7 ASP H 1 8 ILE H . . 3.980 2.985 1.804 4.069 0.089 1 0 "[ . 1 . 2]" 1
8 1 7 ASP QB 1 8 ILE H . . 6.260 3.128 1.898 3.984 . 0 0 "[ . 1 . 2]" 1
9 1 7 ASP QB 1 8 ILE MG . . 7.400 4.307 3.004 5.463 . 0 0 "[ . 1 . 2]" 1
10 1 8 ILE H 1 8 ILE HG12 . . 3.760 2.492 1.841 3.854 0.094 5 0 "[ . 1 . 2]" 1
11 1 8 ILE H 1 8 ILE QG . . 3.280 2.099 1.814 2.742 . 0 0 "[ . 1 . 2]" 1
12 1 8 ILE H 1 8 ILE HG13 . . 3.760 2.760 1.954 3.637 . 0 0 "[ . 1 . 2]" 1
13 1 9 LEU HA 1 9 LEU MD2 . . 3.730 2.188 1.888 3.052 . 0 0 "[ . 1 . 2]" 1
14 1 9 LEU HA 1 10 VAL H . . 3.020 2.171 2.107 2.322 . 0 0 "[ . 1 . 2]" 1
15 1 9 LEU HA 1 10 VAL MG2 . . 4.780 3.664 3.434 3.907 . 0 0 "[ . 1 . 2]" 1
16 1 9 LEU HA 1 18 LEU MD1 . . 5.460 4.058 3.423 4.923 . 0 0 "[ . 1 . 2]" 1
17 1 9 LEU HB2 1 10 VAL H . . 4.570 4.298 3.921 4.540 . 0 0 "[ . 1 . 2]" 1
18 1 9 LEU HB2 1 18 LEU MD1 . . 6.520 3.449 2.178 5.143 . 0 0 "[ . 1 . 2]" 1
19 1 9 LEU HB3 1 10 VAL H . . 3.920 3.496 2.675 3.972 0.052 16 0 "[ . 1 . 2]" 1
20 1 9 LEU HB3 1 18 LEU MD1 . . 6.520 2.351 1.766 3.709 . 0 0 "[ . 1 . 2]" 1
21 1 9 LEU MD2 1 10 VAL H . . 5.530 3.315 2.155 4.308 . 0 0 "[ . 1 . 2]" 1
22 1 9 LEU MD2 1 45 MET QG . . 4.990 4.606 3.375 5.062 0.072 6 0 "[ . 1 . 2]" 1
23 1 10 VAL H 1 10 VAL HB . . 4.200 3.790 3.687 3.855 . 0 0 "[ . 1 . 2]" 1
24 1 10 VAL H 1 10 VAL MG1 . . 4.720 2.945 2.591 3.133 . 0 0 "[ . 1 . 2]" 1
25 1 10 VAL H 1 10 VAL MG2 . . 3.980 2.129 1.948 2.257 . 0 0 "[ . 1 . 2]" 1
26 1 10 VAL HA 1 10 VAL MG1 . . 3.570 2.323 2.293 2.350 . 0 0 "[ . 1 . 2]" 1
27 1 10 VAL HA 1 11 CYS H . . 3.140 2.315 2.165 2.760 . 0 0 "[ . 1 . 2]" 1
28 1 10 VAL HA 1 18 LEU MD1 . . 5.060 3.495 2.251 4.561 . 0 0 "[ . 1 . 2]" 1
29 1 10 VAL HA 1 18 LEU HG . . 3.830 2.597 2.114 3.681 . 0 0 "[ . 1 . 2]" 1
30 1 10 VAL HB 1 11 CYS H . . 3.360 2.586 1.806 3.024 . 0 0 "[ . 1 . 2]" 1
31 1 10 VAL HB 1 15 LYS HA . . 3.240 2.585 2.150 2.892 . 0 0 "[ . 1 . 2]" 1
32 1 10 VAL HB 1 16 GLY H . . 4.570 4.004 2.733 4.510 . 0 0 "[ . 1 . 2]" 1
33 1 10 VAL MG1 1 11 CYS H . . 4.780 3.650 3.437 3.770 . 0 0 "[ . 1 . 2]" 1
34 1 10 VAL MG1 1 15 LYS HA . . 4.070 3.989 3.745 4.142 0.072 18 0 "[ . 1 . 2]" 1
35 1 10 VAL MG1 1 15 LYS QB . . 5.510 3.908 3.290 4.285 . 0 0 "[ . 1 . 2]" 1
36 1 10 VAL MG1 1 17 ARG H . . 6.330 4.138 2.557 6.078 . 0 0 "[ . 1 . 2]" 1
37 1 10 VAL MG1 1 17 ARG HA . . 5.060 2.734 1.782 4.694 . 0 0 "[ . 1 . 2]" 1
38 1 10 VAL MG2 1 11 CYS H . . 5.650 3.619 2.902 3.931 . 0 0 "[ . 1 . 2]" 1
39 1 10 VAL MG2 1 15 LYS H . . 5.990 4.747 4.506 5.422 . 0 0 "[ . 1 . 2]" 1
40 1 10 VAL MG2 1 15 LYS HA . . 4.100 3.137 2.610 4.109 0.009 11 0 "[ . 1 . 2]" 1
41 1 10 VAL MG2 1 15 LYS QB . . 4.820 3.583 2.375 4.584 . 0 0 "[ . 1 . 2]" 1
42 1 10 VAL MG2 1 15 LYS QD . . 4.930 2.740 1.808 4.297 . 0 0 "[ . 1 . 2]" 1
43 1 10 VAL MG2 1 15 LYS QE . . 7.400 3.531 2.037 4.973 . 0 0 "[ . 1 . 2]" 1
44 1 10 VAL MG2 1 15 LYS HG2 . . 5.650 4.692 3.487 5.543 . 0 0 "[ . 1 . 2]" 1
45 1 10 VAL MG2 1 15 LYS QG . . 4.810 4.024 2.450 4.834 0.024 7 0 "[ . 1 . 2]" 1
46 1 10 VAL MG2 1 15 LYS HG3 . . 5.650 4.455 2.503 5.324 . 0 0 "[ . 1 . 2]" 1
47 1 11 CYS H 1 11 CYS HB2 . . 3.420 2.629 2.548 2.989 . 0 0 "[ . 1 . 2]" 1
48 1 11 CYS H 1 11 CYS HB3 . . 3.420 2.544 2.329 3.544 0.124 5 0 "[ . 1 . 2]" 1
49 1 11 CYS H 1 15 LYS H . . 4.850 4.349 3.941 4.939 0.089 16 0 "[ . 1 . 2]" 1
50 1 11 CYS H 1 15 LYS HA . . 4.480 3.365 2.584 3.821 . 0 0 "[ . 1 . 2]" 1
51 1 11 CYS H 1 16 GLY H . . 4.040 3.139 2.267 3.453 . 0 0 "[ . 1 . 2]" 1
52 1 11 CYS H 1 18 LEU MD2 . . 5.280 3.207 2.739 3.834 . 0 0 "[ . 1 . 2]" 1
53 1 11 CYS H 1 18 LEU HG . . 4.010 3.002 2.465 3.508 . 0 0 "[ . 1 . 2]" 1
54 1 11 CYS HA 1 12 PRO HD2 . . 2.800 2.240 1.936 2.724 . 0 0 "[ . 1 . 2]" 1
55 1 11 CYS HA 1 12 PRO HD3 . . 2.800 2.254 1.794 2.519 . 0 0 "[ . 1 . 2]" 1
56 1 11 CYS HA 1 13 VAL H . . 4.480 3.860 3.671 4.351 . 0 0 "[ . 1 . 2]" 1
57 1 11 CYS HA 1 18 LEU MD1 . . 4.500 3.045 2.390 3.946 . 0 0 "[ . 1 . 2]" 1
58 1 11 CYS HA 1 18 LEU MD2 . . 4.220 2.829 2.082 4.239 0.019 11 0 "[ . 1 . 2]" 1
59 1 11 CYS HA 1 45 MET ME . . 5.430 3.866 2.133 5.437 0.007 19 0 "[ . 1 . 2]" 1
60 1 11 CYS QB 1 12 PRO QD . . 5.180 3.322 2.400 3.565 . 0 0 "[ . 1 . 2]" 1
61 1 11 CYS QB 1 14 CYS H . . 3.650 3.069 2.768 3.307 . 0 0 "[ . 1 . 2]" 1
62 1 11 CYS QB 1 15 LYS H . . 3.500 2.839 2.224 3.692 0.192 16 0 "[ . 1 . 2]" 1
63 1 11 CYS QB 1 15 LYS HA . . 3.620 3.314 2.855 3.631 0.011 11 0 "[ . 1 . 2]" 1
64 1 11 CYS QB 1 16 GLY H . . 2.630 2.095 1.764 2.758 0.128 16 0 "[ . 1 . 2]" 1
65 1 11 CYS QB 1 18 LEU MD1 . . 5.540 3.909 2.094 4.515 . 0 0 "[ . 1 . 2]" 1
66 1 11 CYS QB 1 18 LEU MD2 . . 3.970 2.466 2.000 3.537 . 0 0 "[ . 1 . 2]" 1
67 1 11 CYS QB 1 29 CYS QB . . 5.180 3.374 2.500 4.312 . 0 0 "[ . 1 . 2]" 1
68 1 11 CYS HB2 1 18 LEU HG . . 5.500 4.024 2.927 5.273 . 0 0 "[ . 1 . 2]" 1
69 1 11 CYS HB3 1 18 LEU HG . . 5.500 4.859 4.133 5.508 0.008 4 0 "[ . 1 . 2]" 1
70 1 12 PRO HA 1 15 LYS QE . . 6.380 3.542 2.061 5.063 . 0 0 "[ . 1 . 2]" 1
71 1 12 PRO QB 1 13 VAL H . . 3.900 3.196 2.648 3.701 . 0 0 "[ . 1 . 2]" 1
72 1 12 PRO QB 1 13 VAL MG2 . . 6.290 3.135 2.575 3.606 . 0 0 "[ . 1 . 2]" 1
73 1 12 PRO QD 1 13 VAL H . . 4.020 2.806 2.451 3.048 . 0 0 "[ . 1 . 2]" 1
74 1 12 PRO QD 1 18 LEU MD1 . . 5.660 3.491 2.153 4.500 . 0 0 "[ . 1 . 2]" 1
75 1 12 PRO QD 1 18 LEU MD2 . . 6.290 3.794 2.595 5.292 . 0 0 "[ . 1 . 2]" 1
76 1 12 PRO QD 1 36 PHE QE . . 5.880 3.241 2.077 4.512 . 0 0 "[ . 1 . 2]" 1
77 1 12 PRO QD 1 45 MET ME . . 4.470 2.623 1.775 3.520 . 0 0 "[ . 1 . 2]" 1
78 1 12 PRO QG 1 13 VAL H . . 4.930 3.059 2.293 4.053 . 0 0 "[ . 1 . 2]" 1
79 1 12 PRO QG 1 13 VAL MG2 . . 5.080 2.867 2.303 4.030 . 0 0 "[ . 1 . 2]" 1
80 1 12 PRO QG 1 36 PHE QE . . 6.940 4.173 3.117 6.150 . 0 0 "[ . 1 . 2]" 1
81 1 13 VAL H 1 13 VAL MG2 . . 3.760 2.264 2.098 2.477 . 0 0 "[ . 1 . 2]" 1
82 1 13 VAL H 1 14 CYS H . . 2.990 2.674 2.290 2.983 . 0 0 "[ . 1 . 2]" 1
83 1 13 VAL H 1 36 PHE QE . . 7.540 5.405 4.586 6.442 . 0 0 "[ . 1 . 2]" 1
84 1 13 VAL HA 1 13 VAL HB . . 3.020 3.022 3.018 3.025 0.005 3 0 "[ . 1 . 2]" 1
85 1 13 VAL HA 1 13 VAL MG1 . . 3.420 2.360 2.325 2.394 . 0 0 "[ . 1 . 2]" 1
86 1 13 VAL HA 1 13 VAL MG2 . . 3.420 2.428 2.383 2.460 . 0 0 "[ . 1 . 2]" 1
87 1 13 VAL HB 1 14 CYS H . . 2.870 2.092 1.826 2.443 . 0 0 "[ . 1 . 2]" 1
88 1 13 VAL MG1 1 14 CYS H . . 4.500 3.028 2.727 3.345 . 0 0 "[ . 1 . 2]" 1
89 1 13 VAL MG1 1 14 CYS QB . . 4.750 3.826 3.065 4.279 . 0 0 "[ . 1 . 2]" 1
90 1 13 VAL MG2 1 14 CYS H . . 4.810 3.605 3.504 3.741 . 0 0 "[ . 1 . 2]" 1
91 1 13 VAL MG2 1 36 PHE QE . . 7.100 4.892 3.660 5.950 . 0 0 "[ . 1 . 2]" 1
92 1 14 CYS H 1 14 CYS HB2 . . 4.010 2.618 2.436 3.643 . 0 0 "[ . 1 . 2]" 1
93 1 14 CYS H 1 14 CYS QB . . 3.300 2.483 2.305 2.703 . 0 0 "[ . 1 . 2]" 1
94 1 14 CYS H 1 14 CYS HB3 . . 4.010 3.441 2.486 3.755 . 0 0 "[ . 1 . 2]" 1
95 1 14 CYS QB 1 16 GLY H . . 5.340 2.977 2.478 4.403 . 0 0 "[ . 1 . 2]" 1
96 1 15 LYS H 1 15 LYS HA . . 2.590 2.288 2.250 2.731 0.141 16 0 "[ . 1 . 2]" 1
97 1 15 LYS H 1 15 LYS HD2 . . 5.500 4.038 1.967 4.761 . 0 0 "[ . 1 . 2]" 1
98 1 15 LYS H 1 15 LYS HD3 . . 5.500 3.163 2.030 4.272 . 0 0 "[ . 1 . 2]" 1
99 1 15 LYS H 1 15 LYS HG2 . . 4.200 2.967 1.945 4.431 0.231 3 0 "[ . 1 . 2]" 1
100 1 15 LYS H 1 15 LYS QG . . 3.630 2.806 1.931 3.673 0.043 3 0 "[ . 1 . 2]" 1
101 1 15 LYS H 1 15 LYS HG3 . . 4.200 4.151 3.251 4.339 0.139 2 0 "[ . 1 . 2]" 1
102 1 15 LYS H 1 16 GLY H . . 3.360 2.855 2.718 3.562 0.202 16 0 "[ . 1 . 2]" 1
103 1 15 LYS HA 1 15 LYS HD2 . . 4.230 2.895 1.982 3.910 . 0 0 "[ . 1 . 2]" 1
104 1 15 LYS HA 1 15 LYS QD . . 3.350 2.150 1.896 2.970 . 0 0 "[ . 1 . 2]" 1
105 1 15 LYS HA 1 15 LYS HD3 . . 4.230 2.476 1.919 3.787 . 0 0 "[ . 1 . 2]" 1
106 1 15 LYS HA 1 15 LYS HG2 . . 4.110 3.108 2.887 3.638 . 0 0 "[ . 1 . 2]" 1
107 1 15 LYS HA 1 15 LYS QG . . 3.410 2.822 2.371 3.068 . 0 0 "[ . 1 . 2]" 1
108 1 15 LYS HA 1 15 LYS HG3 . . 4.110 3.552 2.402 3.850 . 0 0 "[ . 1 . 2]" 1
109 1 15 LYS QB 1 15 LYS QG . . 2.360 2.000 1.984 2.017 . 0 0 "[ . 1 . 2]" 1
110 1 15 LYS QB 1 16 GLY H . . 4.210 3.783 3.663 3.922 . 0 0 "[ . 1 . 2]" 1
111 1 15 LYS HB2 1 16 GLY H . . 4.880 4.138 3.897 4.508 . 0 0 "[ . 1 . 2]" 1
112 1 15 LYS HB3 1 16 GLY H . . 4.880 4.404 4.145 4.526 . 0 0 "[ . 1 . 2]" 1
113 1 15 LYS QD 1 16 GLY H . . 5.340 4.567 4.081 4.847 . 0 0 "[ . 1 . 2]" 1
114 1 16 GLY HA2 1 17 ARG H . . 3.140 2.540 2.122 3.153 0.013 16 0 "[ . 1 . 2]" 1
115 1 16 GLY HA3 1 17 ARG H . . 3.240 2.885 2.140 3.489 0.249 20 0 "[ . 1 . 2]" 1
116 1 17 ARG HA 1 18 LEU H . . 2.990 2.187 2.111 2.369 . 0 0 "[ . 1 . 2]" 1
117 1 17 ARG QB 1 18 LEU H . . 5.980 3.375 2.904 3.929 . 0 0 "[ . 1 . 2]" 1
118 1 17 ARG QG 1 18 LEU H . . 6.380 3.348 1.987 4.273 . 0 0 "[ . 1 . 2]" 1
119 1 18 LEU H 1 18 LEU MD1 . . 5.810 3.846 3.656 4.044 . 0 0 "[ . 1 . 2]" 1
120 1 18 LEU H 1 18 LEU HG . . 4.170 2.634 2.301 3.200 . 0 0 "[ . 1 . 2]" 1
121 1 18 LEU HA 1 18 LEU HG . . 4.110 3.165 2.935 3.339 . 0 0 "[ . 1 . 2]" 1
122 1 18 LEU HA 1 19 GLU H . . 3.020 2.267 2.142 2.533 . 0 0 "[ . 1 . 2]" 1
123 1 18 LEU HB2 1 19 GLU H . . 4.200 3.902 3.239 4.225 0.025 9 0 "[ . 1 . 2]" 1
124 1 18 LEU HB3 1 19 GLU H . . 3.730 2.867 2.258 3.347 . 0 0 "[ . 1 . 2]" 1
125 1 18 LEU HB3 1 27 LEU HB2 . . 5.500 3.367 2.667 3.759 . 0 0 "[ . 1 . 2]" 1
126 1 18 LEU HB3 1 27 LEU HB3 . . 5.500 1.928 1.755 2.206 . 0 0 "[ . 1 . 2]" 1
127 1 18 LEU HB3 1 27 LEU MD2 . . 4.410 3.124 2.765 3.541 . 0 0 "[ . 1 . 2]" 1
128 1 18 LEU HB3 1 28 VAL H . . 4.970 4.388 3.968 4.950 . 0 0 "[ . 1 . 2]" 1
129 1 18 LEU MD1 1 27 LEU HB2 . . 6.520 2.846 2.274 3.445 . 0 0 "[ . 1 . 2]" 1
130 1 18 LEU MD1 1 27 LEU HB3 . . 6.520 2.621 2.218 3.205 . 0 0 "[ . 1 . 2]" 1
131 1 18 LEU MD1 1 36 PHE QD . . 6.480 2.769 2.036 4.018 . 0 0 "[ . 1 . 2]" 1
132 1 18 LEU MD1 1 36 PHE QE . . 8.650 3.512 2.705 4.770 . 0 0 "[ . 1 . 2]" 1
133 1 18 LEU MD1 1 45 MET ME . . 6.080 3.008 1.976 5.148 . 0 0 "[ . 1 . 2]" 1
134 1 18 LEU MD2 1 19 GLU H . . 4.780 3.522 3.104 3.847 . 0 0 "[ . 1 . 2]" 1
135 1 18 LEU MD2 1 29 CYS QB . . 3.850 2.789 1.780 3.835 . 0 0 "[ . 1 . 2]" 1
136 1 18 LEU MD2 1 36 PHE QD . . 5.830 2.619 2.047 3.428 . 0 0 "[ . 1 . 2]" 1
137 1 18 LEU MD2 1 36 PHE QE . . 7.350 2.682 2.174 3.684 . 0 0 "[ . 1 . 2]" 1
138 1 19 GLU H 1 19 GLU HB2 . . 3.610 2.655 2.430 3.735 0.125 7 0 "[ . 1 . 2]" 1
139 1 19 GLU H 1 19 GLU HB3 . . 3.610 3.436 2.688 3.763 0.153 16 0 "[ . 1 . 2]" 1
140 1 19 GLU H 1 19 GLU QG . . 4.240 3.338 2.144 4.163 . 0 0 "[ . 1 . 2]" 1
141 1 19 GLU H 1 27 LEU HB2 . . 4.910 4.999 4.940 5.072 0.162 4 0 "[ . 1 . 2]" 1
142 1 19 GLU H 1 28 VAL H . . 3.830 2.910 2.560 3.422 . 0 0 "[ . 1 . 2]" 1
143 1 19 GLU H 1 28 VAL HB . . 5.500 3.676 2.845 4.517 . 0 0 "[ . 1 . 2]" 1
144 1 19 GLU HA 1 20 PHE H . . 2.830 2.154 2.111 2.262 . 0 0 "[ . 1 . 2]" 1
145 1 19 GLU QB 1 20 PHE H . . 3.780 3.312 3.013 3.866 0.086 9 0 "[ . 1 . 2]" 1
146 1 19 GLU QB 1 30 ASN HD21 . . 5.020 3.695 2.684 4.687 . 0 0 "[ . 1 . 2]" 1
147 1 19 GLU QB 1 30 ASN HD22 . . 4.100 3.085 1.912 3.999 . 0 0 "[ . 1 . 2]" 1
148 1 19 GLU HB2 1 20 PHE H . . 4.420 4.234 3.112 4.565 0.145 2 0 "[ . 1 . 2]" 1
149 1 19 GLU HB2 1 30 ASN HD22 . . 4.850 3.230 1.938 4.761 . 0 0 "[ . 1 . 2]" 1
150 1 19 GLU HB3 1 20 PHE H . . 4.420 3.512 3.108 4.243 . 0 0 "[ . 1 . 2]" 1
151 1 19 GLU HB3 1 30 ASN HD22 . . 4.850 4.172 2.933 4.932 0.082 4 0 "[ . 1 . 2]" 1
152 1 19 GLU QG 1 20 PHE H . . 4.560 3.935 2.571 4.681 0.121 19 0 "[ . 1 . 2]" 1
153 1 19 GLU QG 1 30 ASN HD21 . . 5.290 3.432 2.310 5.329 0.039 20 0 "[ . 1 . 2]" 1
154 1 19 GLU QG 1 30 ASN HD22 . . 4.590 3.014 1.805 4.648 0.058 9 0 "[ . 1 . 2]" 1
155 1 20 PHE H 1 20 PHE HB2 . . 3.550 2.703 2.545 2.877 . 0 0 "[ . 1 . 2]" 1
156 1 20 PHE H 1 20 PHE QB . . 3.050 2.302 2.265 2.370 . 0 0 "[ . 1 . 2]" 1
157 1 20 PHE H 1 20 PHE HB3 . . 3.550 2.497 2.418 2.554 . 0 0 "[ . 1 . 2]" 1
158 1 20 PHE H 1 27 LEU MD2 . . 4.910 3.640 3.224 4.619 . 0 0 "[ . 1 . 2]" 1
159 1 20 PHE HA 1 21 GLN H . . 2.800 2.158 2.114 2.270 . 0 0 "[ . 1 . 2]" 1
160 1 20 PHE HA 1 27 LEU MD2 . . 4.040 2.175 1.796 3.957 . 0 0 "[ . 1 . 2]" 1
161 1 20 PHE QB 1 27 LEU MD2 . . 4.210 2.466 2.046 3.130 . 0 0 "[ . 1 . 2]" 1
162 1 20 PHE HB2 1 21 GLN H . . 4.880 4.417 4.247 4.597 . 0 0 "[ . 1 . 2]" 1
163 1 20 PHE HB3 1 21 GLN H . . 4.880 4.373 4.098 4.458 . 0 0 "[ . 1 . 2]" 1
164 1 20 PHE QD 1 21 GLN H . . 5.270 3.880 3.515 4.362 . 0 0 "[ . 1 . 2]" 1
165 1 20 PHE QD 1 22 ARG HA . . 6.170 4.627 3.383 5.605 . 0 0 "[ . 1 . 2]" 1
166 1 20 PHE QD 1 22 ARG QD . . 8.510 4.506 3.009 5.799 . 0 0 "[ . 1 . 2]" 1
167 1 20 PHE QD 1 25 ALA HA . . 5.710 4.453 3.823 5.249 . 0 0 "[ . 1 . 2]" 1
168 1 20 PHE QD 1 25 ALA MB . . 8.650 4.608 4.154 5.191 . 0 0 "[ . 1 . 2]" 1
169 1 20 PHE QD 1 26 GLU H . . 6.640 4.715 3.866 5.654 . 0 0 "[ . 1 . 2]" 1
170 1 20 PHE QD 1 27 LEU MD2 . . 7.190 2.006 1.761 3.085 . 0 0 "[ . 1 . 2]" 1
171 1 20 PHE QD 1 27 LEU HG . . 7.100 3.406 1.903 4.004 . 0 0 "[ . 1 . 2]" 1
172 1 20 PHE QD 1 38 VAL MG2 . . 7.040 3.131 2.421 4.280 . 0 0 "[ . 1 . 2]" 1
173 1 20 PHE QE 1 22 ARG HA . . 5.830 3.789 2.482 5.029 . 0 0 "[ . 1 . 2]" 1
174 1 20 PHE QE 1 25 ALA HA . . 6.240 3.312 2.458 4.149 . 0 0 "[ . 1 . 2]" 1
175 1 20 PHE QE 1 25 ALA MB . . 6.700 2.878 2.319 3.713 . 0 0 "[ . 1 . 2]" 1
176 1 20 PHE QE 1 38 VAL MG1 . . 7.690 3.558 2.620 4.580 . 0 0 "[ . 1 . 2]" 1
177 1 21 GLN H 1 21 GLN HB2 . . 2.960 2.391 2.068 2.549 . 0 0 "[ . 1 . 2]" 1
178 1 21 GLN H 1 21 GLN HB3 . . 3.550 3.600 3.297 3.679 0.129 9 0 "[ . 1 . 2]" 1
179 1 21 GLN H 1 21 GLN HG2 . . 4.450 3.192 2.514 3.997 . 0 0 "[ . 1 . 2]" 1
180 1 21 GLN H 1 21 GLN QG . . 3.730 2.739 2.479 3.336 . 0 0 "[ . 1 . 2]" 1
181 1 21 GLN H 1 21 GLN HG3 . . 4.450 3.477 2.639 4.172 . 0 0 "[ . 1 . 2]" 1
182 1 21 GLN H 1 26 GLU H . . 4.140 3.394 2.906 4.150 0.010 6 0 "[ . 1 . 2]" 1
183 1 21 GLN H 1 27 LEU MD2 . . 5.870 3.779 3.198 5.629 . 0 0 "[ . 1 . 2]" 1
184 1 21 GLN H 1 28 VAL H . . 5.000 3.676 3.215 4.249 . 0 0 "[ . 1 . 2]" 1
185 1 21 GLN H 1 28 VAL MG2 . . 5.500 3.563 3.088 4.153 . 0 0 "[ . 1 . 2]" 1
186 1 21 GLN HA 1 21 GLN HB3 . . 2.900 2.538 2.440 2.813 . 0 0 "[ . 1 . 2]" 1
187 1 21 GLN HA 1 22 ARG H . . 2.990 2.304 2.146 2.607 . 0 0 "[ . 1 . 2]" 1
188 1 21 GLN HB2 1 21 GLN QG . . 2.460 2.215 2.152 2.319 . 0 0 "[ . 1 . 2]" 1
189 1 21 GLN HB2 1 22 ARG H . . 4.690 3.946 3.366 4.626 . 0 0 "[ . 1 . 2]" 1
190 1 21 GLN HB2 1 26 GLU H . . 4.140 3.298 2.159 4.218 0.078 8 0 "[ . 1 . 2]" 1
191 1 21 GLN HB2 1 28 VAL MG2 . . 5.250 3.012 2.179 4.119 . 0 0 "[ . 1 . 2]" 1
192 1 21 GLN HB3 1 21 GLN HE21 . . 4.570 4.175 4.011 4.413 . 0 0 "[ . 1 . 2]" 1
193 1 21 GLN HB3 1 21 GLN QE . . 3.930 3.839 3.716 4.025 0.095 19 0 "[ . 1 . 2]" 1
194 1 21 GLN HB3 1 21 GLN HE22 . . 4.570 4.486 4.377 4.642 0.072 19 0 "[ . 1 . 2]" 1
195 1 21 GLN HB3 1 22 ARG H . . 3.980 2.848 2.097 3.960 . 0 0 "[ . 1 . 2]" 1
196 1 21 GLN QE 1 21 GLN QG . . 2.990 2.132 2.104 2.144 . 0 0 "[ . 1 . 2]" 1
197 1 21 GLN QE 1 28 VAL MG1 . . 5.090 3.670 2.394 5.112 0.022 20 0 "[ . 1 . 2]" 1
198 1 21 GLN QE 1 28 VAL MG2 . . 4.880 2.889 1.912 3.635 . 0 0 "[ . 1 . 2]" 1
199 1 21 GLN HE21 1 28 VAL MG2 . . 5.590 3.085 1.946 3.748 . 0 0 "[ . 1 . 2]" 1
200 1 21 GLN HE22 1 28 VAL MG2 . . 5.590 3.844 2.520 4.938 . 0 0 "[ . 1 . 2]" 1
201 1 21 GLN HG2 1 28 VAL MG2 . . 6.520 3.036 2.170 4.106 . 0 0 "[ . 1 . 2]" 1
202 1 21 GLN HG3 1 28 VAL MG2 . . 6.520 2.442 1.906 3.092 . 0 0 "[ . 1 . 2]" 1
203 1 22 ARG H 1 22 ARG HG2 . . 4.540 3.515 1.967 4.546 0.006 20 0 "[ . 1 . 2]" 1
204 1 22 ARG H 1 22 ARG QG . . 3.950 2.735 1.938 4.017 0.067 7 0 "[ . 1 . 2]" 1
205 1 22 ARG H 1 22 ARG HG3 . . 4.540 3.139 2.255 4.516 . 0 0 "[ . 1 . 2]" 1
206 1 22 ARG H 1 23 ALA H . . 4.260 3.125 2.236 4.517 0.257 16 0 "[ . 1 . 2]" 1
207 1 22 ARG HA 1 22 ARG QG . . 3.660 2.616 2.329 3.351 . 0 0 "[ . 1 . 2]" 1
208 1 22 ARG HA 1 25 ALA H . . 4.320 3.639 2.530 4.501 0.181 17 0 "[ . 1 . 2]" 1
209 1 22 ARG QB 1 23 ALA H . . 5.110 3.772 2.779 4.037 . 0 0 "[ . 1 . 2]" 1
210 1 23 ALA H 1 24 GLN H . . 3.920 2.617 1.979 4.092 0.172 6 0 "[ . 1 . 2]" 1
211 1 23 ALA MB 1 24 GLN H . . 4.350 2.187 1.855 3.356 . 0 0 "[ . 1 . 2]" 1
212 1 23 ALA MB 1 24 GLN QG . . 6.630 4.124 2.424 5.155 . 0 0 "[ . 1 . 2]" 1
213 1 24 GLN H 1 25 ALA H . . 3.270 2.216 1.956 2.635 . 0 0 "[ . 1 . 2]" 1
214 1 24 GLN HA 1 25 ALA MB . . 5.710 4.000 3.848 4.190 . 0 0 "[ . 1 . 2]" 1
215 1 24 GLN QB 1 24 GLN HE22 . . 4.430 3.696 3.165 4.138 . 0 0 "[ . 1 . 2]" 1
216 1 24 GLN QB 1 25 ALA H . . 3.860 3.223 2.019 3.800 . 0 0 "[ . 1 . 2]" 1
217 1 24 GLN HB2 1 24 GLN HE22 . . 5.220 4.302 3.652 5.150 . 0 0 "[ . 1 . 2]" 1
218 1 24 GLN HB2 1 25 ALA H . . 4.510 3.745 2.375 4.494 . 0 0 "[ . 1 . 2]" 1
219 1 24 GLN HB3 1 24 GLN HE22 . . 5.220 4.302 3.315 5.169 . 0 0 "[ . 1 . 2]" 1
220 1 24 GLN HB3 1 25 ALA H . . 4.510 3.760 2.032 4.487 . 0 0 "[ . 1 . 2]" 1
221 1 25 ALA H 1 26 GLU H . . 3.420 2.794 1.882 3.163 . 0 0 "[ . 1 . 2]" 1
222 1 25 ALA HA 1 26 GLU H . . 3.360 2.519 2.308 2.971 . 0 0 "[ . 1 . 2]" 1
223 1 25 ALA HA 1 38 VAL MG2 . . 5.870 4.405 3.804 4.847 . 0 0 "[ . 1 . 2]" 1
224 1 25 ALA MB 1 26 GLU H . . 5.310 3.674 3.596 3.722 . 0 0 "[ . 1 . 2]" 1
225 1 25 ALA MB 1 38 VAL H . . 5.060 3.267 2.630 3.950 . 0 0 "[ . 1 . 2]" 1
226 1 25 ALA MB 1 38 VAL HB . . 3.880 2.426 2.052 2.886 . 0 0 "[ . 1 . 2]" 1
227 1 25 ALA MB 1 38 VAL MG1 . . 7.540 3.477 3.090 3.871 . 0 0 "[ . 1 . 2]" 1
228 1 25 ALA MB 1 38 VAL MG2 . . 7.260 3.357 2.925 3.754 . 0 0 "[ . 1 . 2]" 1
229 1 26 GLU H 1 26 GLU QB . . 3.260 3.003 2.590 3.261 0.001 8 0 "[ . 1 . 2]" 1
230 1 26 GLU H 1 26 GLU HG2 . . 4.260 2.540 1.925 3.878 . 0 0 "[ . 1 . 2]" 1
231 1 26 GLU H 1 26 GLU QG . . 3.530 2.436 1.912 2.721 . 0 0 "[ . 1 . 2]" 1
232 1 26 GLU H 1 26 GLU HG3 . . 4.260 3.568 2.735 4.102 . 0 0 "[ . 1 . 2]" 1
233 1 26 GLU H 1 38 VAL MG2 . . 5.400 4.502 3.678 5.055 . 0 0 "[ . 1 . 2]" 1
234 1 26 GLU HA 1 27 LEU H . . 3.110 2.214 2.158 2.294 . 0 0 "[ . 1 . 2]" 1
235 1 26 GLU HA 1 38 VAL H . . 3.950 2.717 2.408 3.187 . 0 0 "[ . 1 . 2]" 1
236 1 26 GLU HA 1 38 VAL MG2 . . 4.160 2.961 2.234 3.619 . 0 0 "[ . 1 . 2]" 1
237 1 26 GLU HB2 1 27 LEU H . . 5.500 2.932 2.599 4.186 . 0 0 "[ . 1 . 2]" 1
238 1 26 GLU HB2 1 28 VAL MG2 . . 6.520 3.613 3.051 4.220 . 0 0 "[ . 1 . 2]" 1
239 1 26 GLU HB2 1 35 ALA MB . . 6.520 2.235 1.746 3.512 . 0 0 "[ . 1 . 2]" 1
240 1 26 GLU HB3 1 27 LEU H . . 5.500 3.885 3.354 4.086 . 0 0 "[ . 1 . 2]" 1
241 1 26 GLU HB3 1 28 VAL MG2 . . 6.520 4.628 3.320 5.220 . 0 0 "[ . 1 . 2]" 1
242 1 26 GLU HB3 1 35 ALA MB . . 6.520 3.310 2.186 3.920 . 0 0 "[ . 1 . 2]" 1
243 1 26 GLU QG 1 27 LEU H . . 4.510 4.030 3.864 4.268 . 0 0 "[ . 1 . 2]" 1
244 1 26 GLU QG 1 35 ALA MB . . 4.410 2.616 1.769 3.556 . 0 0 "[ . 1 . 2]" 1
245 1 26 GLU QG 1 37 PRO HA . . 5.340 4.551 3.078 5.351 0.011 15 0 "[ . 1 . 2]" 1
246 1 26 GLU HG2 1 27 LEU H . . 5.310 4.491 4.154 5.143 . 0 0 "[ . 1 . 2]" 1
247 1 26 GLU HG3 1 27 LEU H . . 5.310 4.701 4.093 5.157 . 0 0 "[ . 1 . 2]" 1
248 1 27 LEU H 1 27 LEU MD1 . . 5.460 3.624 1.922 3.846 . 0 0 "[ . 1 . 2]" 1
249 1 27 LEU H 1 27 LEU HG . . 4.450 2.528 2.283 3.344 . 0 0 "[ . 1 . 2]" 1
250 1 27 LEU H 1 35 ALA MB . . 6.080 4.069 3.608 4.503 . 0 0 "[ . 1 . 2]" 1
251 1 27 LEU H 1 36 PHE H . . 4.010 3.055 2.809 3.301 . 0 0 "[ . 1 . 2]" 1
252 1 27 LEU H 1 36 PHE HB2 . . 4.570 3.233 2.948 3.585 . 0 0 "[ . 1 . 2]" 1
253 1 27 LEU H 1 37 PRO HA . . 4.850 3.657 3.173 4.141 . 0 0 "[ . 1 . 2]" 1
254 1 27 LEU H 1 38 VAL MG2 . . 5.090 3.396 2.823 4.065 . 0 0 "[ . 1 . 2]" 1
255 1 27 LEU HA 1 27 LEU MD2 . . 3.910 2.211 2.044 3.602 . 0 0 "[ . 1 . 2]" 1
256 1 27 LEU HA 1 27 LEU HG . . 4.140 3.139 2.581 3.282 . 0 0 "[ . 1 . 2]" 1
257 1 27 LEU HA 1 28 VAL H . . 3.080 2.157 2.114 2.195 . 0 0 "[ . 1 . 2]" 1
258 1 27 LEU HA 1 28 VAL HB . . 5.500 4.630 4.504 4.702 . 0 0 "[ . 1 . 2]" 1
259 1 27 LEU HB2 1 36 PHE HB2 . . 5.500 2.173 1.844 2.414 . 0 0 "[ . 1 . 2]" 1
260 1 27 LEU HB2 1 36 PHE QD . . 5.640 2.990 2.522 3.432 . 0 0 "[ . 1 . 2]" 1
261 1 27 LEU HB3 1 28 VAL H . . 4.910 3.722 3.537 3.854 . 0 0 "[ . 1 . 2]" 1
262 1 27 LEU HB3 1 36 PHE HB2 . . 5.500 3.830 3.389 3.927 . 0 0 "[ . 1 . 2]" 1
263 1 27 LEU HB3 1 36 PHE HB3 . . 5.500 5.462 4.977 5.553 0.053 19 0 "[ . 1 . 2]" 1
264 1 27 LEU HB3 1 36 PHE QD . . 5.210 3.915 3.600 4.424 . 0 0 "[ . 1 . 2]" 1
265 1 27 LEU MD1 1 36 PHE H . . 5.960 4.626 4.259 5.172 . 0 0 "[ . 1 . 2]" 1
266 1 27 LEU MD1 1 36 PHE HB2 . . 5.780 2.894 2.520 3.507 . 0 0 "[ . 1 . 2]" 1
267 1 27 LEU MD1 1 36 PHE HB3 . . 6.520 3.611 2.995 4.263 . 0 0 "[ . 1 . 2]" 1
268 1 27 LEU MD1 1 43 PRO QG . . 5.080 3.552 2.537 5.046 . 0 0 "[ . 1 . 2]" 1
269 1 27 LEU MD2 1 28 VAL H . . 5.250 3.983 3.743 5.042 . 0 0 "[ . 1 . 2]" 1
270 1 27 LEU HG 1 38 VAL MG2 . . 3.910 2.561 2.105 3.940 0.030 12 0 "[ . 1 . 2]" 1
271 1 28 VAL H 1 28 VAL HB . . 3.300 2.504 2.395 2.560 . 0 0 "[ . 1 . 2]" 1
272 1 28 VAL H 1 28 VAL MG2 . . 3.950 2.268 2.030 2.468 . 0 0 "[ . 1 . 2]" 1
273 1 28 VAL HA 1 35 ALA HA . . 5.500 2.177 1.770 2.730 . 0 0 "[ . 1 . 2]" 1
274 1 28 VAL HA 1 35 ALA MB . . 4.910 2.925 2.384 3.415 . 0 0 "[ . 1 . 2]" 1
275 1 28 VAL HA 1 36 PHE H . . 4.380 3.593 3.196 4.201 . 0 0 "[ . 1 . 2]" 1
276 1 28 VAL HA 1 36 PHE QD . . 5.950 5.112 3.792 6.003 0.053 9 0 "[ . 1 . 2]" 1
277 1 28 VAL HB 1 29 CYS H . . 4.660 4.254 4.107 4.393 . 0 0 "[ . 1 . 2]" 1
278 1 28 VAL MG1 1 29 CYS H . . 4.100 2.822 2.543 3.185 . 0 0 "[ . 1 . 2]" 1
279 1 28 VAL MG1 1 30 ASN H . . 4.600 3.716 3.259 4.181 . 0 0 "[ . 1 . 2]" 1
280 1 28 VAL MG1 1 30 ASN HA . . 4.630 3.128 2.700 3.478 . 0 0 "[ . 1 . 2]" 1
281 1 28 VAL MG1 1 30 ASN QB . . 7.210 4.269 3.512 4.701 . 0 0 "[ . 1 . 2]" 1
282 1 28 VAL MG1 1 30 ASN HD21 . . 5.710 4.090 2.190 5.314 . 0 0 "[ . 1 . 2]" 1
283 1 28 VAL MG1 1 30 ASN HD22 . . 5.120 3.880 2.312 5.116 . 0 0 "[ . 1 . 2]" 1
284 1 28 VAL MG1 1 35 ALA HA . . 4.940 3.772 3.272 4.369 . 0 0 "[ . 1 . 2]" 1
285 1 28 VAL MG2 1 35 ALA HA . . 4.260 3.312 2.493 4.282 0.022 15 0 "[ . 1 . 2]" 1
286 1 29 CYS H 1 29 CYS HB2 . . 4.070 2.670 2.543 2.817 . 0 0 "[ . 1 . 2]" 1
287 1 29 CYS H 1 29 CYS QB . . 3.510 2.480 2.284 2.637 . 0 0 "[ . 1 . 2]" 1
288 1 29 CYS H 1 29 CYS HB3 . . 4.070 3.237 2.457 3.706 . 0 0 "[ . 1 . 2]" 1
289 1 29 CYS H 1 34 LEU H . . 3.760 3.219 2.944 3.542 . 0 0 "[ . 1 . 2]" 1
290 1 29 CYS H 1 35 ALA HA . . 4.230 3.032 2.553 3.435 . 0 0 "[ . 1 . 2]" 1
291 1 29 CYS HA 1 30 ASN H . . 2.830 2.174 2.127 2.230 . 0 0 "[ . 1 . 2]" 1
292 1 29 CYS HA 1 30 ASN QB . . 6.380 4.340 3.970 4.519 . 0 0 "[ . 1 . 2]" 1
293 1 29 CYS QB 1 30 ASN H . . 4.160 3.643 3.060 3.941 . 0 0 "[ . 1 . 2]" 1
294 1 29 CYS QB 1 32 ASP H . . 4.190 2.919 2.444 3.227 . 0 0 "[ . 1 . 2]" 1
295 1 29 CYS QB 1 32 ASP HB2 . . 5.340 2.517 1.764 3.907 . 0 0 "[ . 1 . 2]" 1
296 1 29 CYS QB 1 32 ASP HB3 . . 5.340 4.033 3.138 5.354 0.014 19 0 "[ . 1 . 2]" 1
297 1 29 CYS QB 1 33 ARG H . . 4.290 3.407 2.610 3.904 . 0 0 "[ . 1 . 2]" 1
298 1 29 CYS QB 1 34 LEU H . . 3.120 2.266 1.766 2.860 . 0 0 "[ . 1 . 2]" 1
299 1 29 CYS QB 1 34 LEU HB3 . . 5.340 4.043 3.682 4.490 . 0 0 "[ . 1 . 2]" 1
300 1 29 CYS QB 1 36 PHE QE . . 5.890 3.592 1.872 4.599 . 0 0 "[ . 1 . 2]" 1
301 1 29 CYS HB2 1 30 ASN H . . 4.760 4.313 4.032 4.449 . 0 0 "[ . 1 . 2]" 1
302 1 29 CYS HB2 1 32 ASP H . . 4.910 3.625 2.896 4.603 . 0 0 "[ . 1 . 2]" 1
303 1 29 CYS HB2 1 34 LEU HB2 . . 5.500 3.013 2.104 4.382 . 0 0 "[ . 1 . 2]" 1
304 1 29 CYS HB3 1 30 ASN H . . 4.760 3.949 3.170 4.399 . 0 0 "[ . 1 . 2]" 1
305 1 29 CYS HB3 1 32 ASP H . . 4.910 3.151 2.539 3.716 . 0 0 "[ . 1 . 2]" 1
306 1 29 CYS HB3 1 34 LEU HB2 . . 5.500 3.474 2.652 4.364 . 0 0 "[ . 1 . 2]" 1
307 1 30 ASN H 1 30 ASN HD21 . . 4.540 2.748 2.071 4.407 . 0 0 "[ . 1 . 2]" 1
308 1 30 ASN H 1 30 ASN HD22 . . 5.470 3.961 3.372 5.580 0.110 1 0 "[ . 1 . 2]" 1
309 1 30 ASN H 1 31 ALA H . . 3.360 2.825 2.441 3.417 0.057 1 0 "[ . 1 . 2]" 1
310 1 30 ASN H 1 31 ALA MB . . 6.080 4.276 4.109 4.604 . 0 0 "[ . 1 . 2]" 1
311 1 30 ASN HA 1 31 ALA H . . 3.550 3.196 2.563 3.568 0.018 15 0 "[ . 1 . 2]" 1
312 1 30 ASN HA 1 33 ARG H . . 3.860 3.739 3.392 3.944 0.084 4 0 "[ . 1 . 2]" 1
313 1 30 ASN HA 1 34 LEU H . . 4.970 5.002 4.859 5.086 0.116 4 0 "[ . 1 . 2]" 1
314 1 30 ASN HA 1 53 LEU MD1 . . 5.000 4.471 3.152 5.027 0.027 8 0 "[ . 1 . 2]" 1
315 1 30 ASN QB 1 31 ALA H . . 4.680 3.256 2.111 3.911 . 0 0 "[ . 1 . 2]" 1
316 1 31 ALA H 1 31 ALA MB . . 3.420 2.407 2.234 2.806 . 0 0 "[ . 1 . 2]" 1
317 1 31 ALA H 1 32 ASP H . . 3.420 2.339 1.820 2.760 . 0 0 "[ . 1 . 2]" 1
318 1 31 ALA H 1 33 ARG H . . 4.010 3.212 2.270 3.973 . 0 0 "[ . 1 . 2]" 1
319 1 31 ALA HA 1 33 ARG H . . 4.600 4.117 3.890 4.467 . 0 0 "[ . 1 . 2]" 1
320 1 31 ALA MB 1 32 ASP H . . 3.850 2.464 1.967 3.411 . 0 0 "[ . 1 . 2]" 1
321 1 31 ALA MB 1 33 ARG H . . 5.590 4.183 3.765 4.782 . 0 0 "[ . 1 . 2]" 1
322 1 32 ASP H 1 32 ASP HB2 . . 3.330 2.504 2.336 2.649 . 0 0 "[ . 1 . 2]" 1
323 1 32 ASP H 1 32 ASP HB3 . . 3.860 3.643 3.576 3.786 . 0 0 "[ . 1 . 2]" 1
324 1 32 ASP H 1 33 ARG H . . 3.050 2.340 1.833 2.605 . 0 0 "[ . 1 . 2]" 1
325 1 32 ASP H 1 33 ARG HA . . 4.820 4.534 4.071 4.811 . 0 0 "[ . 1 . 2]" 1
326 1 32 ASP H 1 34 LEU H . . 4.690 3.767 3.248 4.424 . 0 0 "[ . 1 . 2]" 1
327 1 32 ASP H 1 34 LEU MD1 . . 6.020 4.907 4.218 5.423 . 0 0 "[ . 1 . 2]" 1
328 1 32 ASP HB2 1 33 ARG H . . 3.980 3.347 3.015 3.797 . 0 0 "[ . 1 . 2]" 1
329 1 32 ASP HB2 1 34 LEU H . . 4.200 3.033 2.537 3.677 . 0 0 "[ . 1 . 2]" 1
330 1 32 ASP HB2 1 34 LEU MD1 . . 4.660 2.764 2.292 3.380 . 0 0 "[ . 1 . 2]" 1
331 1 32 ASP HB2 1 34 LEU HG . . 4.040 3.124 2.647 3.721 . 0 0 "[ . 1 . 2]" 1
332 1 32 ASP HB3 1 33 ARG H . . 4.260 4.156 3.997 4.330 0.070 4 0 "[ . 1 . 2]" 1
333 1 32 ASP HB3 1 34 LEU H . . 4.720 4.019 3.471 4.515 . 0 0 "[ . 1 . 2]" 1
334 1 32 ASP HB3 1 34 LEU MD1 . . 4.320 2.403 1.898 3.162 . 0 0 "[ . 1 . 2]" 1
335 1 32 ASP HB3 1 34 LEU HG . . 3.520 2.672 2.272 3.131 . 0 0 "[ . 1 . 2]" 1
336 1 33 ARG H 1 33 ARG HA . . 2.560 2.264 2.249 2.281 . 0 0 "[ . 1 . 2]" 1
337 1 33 ARG H 1 33 ARG HB2 . . 4.070 3.512 3.265 3.676 . 0 0 "[ . 1 . 2]" 1
338 1 33 ARG H 1 33 ARG HD2 . . 5.500 5.156 2.012 5.461 . 0 0 "[ . 1 . 2]" 1
339 1 33 ARG H 1 33 ARG HD3 . . 5.500 5.273 3.286 5.505 0.005 11 0 "[ . 1 . 2]" 1
340 1 33 ARG H 1 33 ARG HG2 . . 4.140 3.367 2.699 4.427 0.287 4 0 "[ . 1 . 2]" 1
341 1 33 ARG H 1 33 ARG QG . . 3.550 2.902 2.653 3.577 0.027 4 0 "[ . 1 . 2]" 1
342 1 33 ARG H 1 33 ARG HG3 . . 4.140 3.230 2.970 3.903 . 0 0 "[ . 1 . 2]" 1
343 1 33 ARG H 1 34 LEU H . . 3.270 2.652 2.527 2.886 . 0 0 "[ . 1 . 2]" 1
344 1 33 ARG HA 1 33 ARG HB3 . . 2.830 2.506 2.398 2.620 . 0 0 "[ . 1 . 2]" 1
345 1 33 ARG HA 1 33 ARG QD . . 3.650 3.695 2.556 3.900 0.250 3 0 "[ . 1 . 2]" 1
346 1 33 ARG HA 1 33 ARG HG2 . . 3.640 2.439 2.259 3.615 . 0 0 "[ . 1 . 2]" 1
347 1 33 ARG HA 1 33 ARG QG . . 2.950 2.318 2.211 2.489 . 0 0 "[ . 1 . 2]" 1
348 1 33 ARG HA 1 33 ARG HG3 . . 3.640 3.175 2.418 3.701 0.061 9 0 "[ . 1 . 2]" 1
349 1 33 ARG HA 1 34 LEU H . . 2.870 2.765 2.492 2.907 0.037 6 0 "[ . 1 . 2]" 1
350 1 33 ARG HA 1 53 LEU H . . 4.790 4.455 4.039 4.745 . 0 0 "[ . 1 . 2]" 1
351 1 33 ARG HA 1 53 LEU QB . . 5.340 3.456 2.843 4.345 . 0 0 "[ . 1 . 2]" 1
352 1 33 ARG HA 1 53 LEU MD1 . . 4.070 2.749 1.797 3.633 . 0 0 "[ . 1 . 2]" 1
353 1 33 ARG HB2 1 34 LEU H . . 4.820 4.233 4.054 4.408 . 0 0 "[ . 1 . 2]" 1
354 1 33 ARG HB2 1 53 LEU H . . 4.450 4.082 3.260 4.425 . 0 0 "[ . 1 . 2]" 1
355 1 33 ARG HB2 1 53 LEU QB . . 4.060 3.864 3.068 4.117 0.057 13 0 "[ . 1 . 2]" 1
356 1 33 ARG HB3 1 34 LEU H . . 4.570 4.408 4.328 4.479 . 0 0 "[ . 1 . 2]" 1
357 1 33 ARG HB3 1 53 LEU H . . 3.670 3.228 2.701 3.694 0.024 2 0 "[ . 1 . 2]" 1
358 1 33 ARG QD 1 53 LEU MD1 . . 5.090 4.014 2.242 5.045 . 0 0 "[ . 1 . 2]" 1
359 1 34 LEU H 1 34 LEU HB2 . . 3.330 2.523 2.304 2.760 . 0 0 "[ . 1 . 2]" 1
360 1 34 LEU H 1 34 LEU MD2 . . 5.710 3.951 3.768 4.151 . 0 0 "[ . 1 . 2]" 1
361 1 34 LEU H 1 34 LEU HG . . 3.550 3.099 2.904 3.305 . 0 0 "[ . 1 . 2]" 1
362 1 34 LEU H 1 35 ALA H . . 4.790 4.428 4.286 4.514 . 0 0 "[ . 1 . 2]" 1
363 1 34 LEU H 1 53 LEU MD1 . . 5.500 4.180 3.136 5.188 . 0 0 "[ . 1 . 2]" 1
364 1 34 LEU HA 1 34 LEU MD2 . . 3.540 2.036 1.976 2.150 . 0 0 "[ . 1 . 2]" 1
365 1 34 LEU HA 1 35 ALA H . . 3.080 2.360 2.110 2.626 . 0 0 "[ . 1 . 2]" 1
366 1 34 LEU HA 1 53 LEU H . . 3.760 3.127 2.519 3.696 . 0 0 "[ . 1 . 2]" 1
367 1 34 LEU HB2 1 36 PHE QE . . 7.630 4.099 2.952 4.883 . 0 0 "[ . 1 . 2]" 1
368 1 34 LEU HB3 1 35 ALA H . . 5.500 2.589 2.000 3.564 . 0 0 "[ . 1 . 2]" 1
369 1 34 LEU HB3 1 36 PHE QE . . 7.630 4.175 3.231 4.905 . 0 0 "[ . 1 . 2]" 1
370 1 34 LEU MD1 1 36 PHE QE . . 6.950 3.660 2.746 4.421 . 0 0 "[ . 1 . 2]" 1
371 1 34 LEU MD1 1 47 GLU HA . . 5.220 3.996 3.145 5.050 . 0 0 "[ . 1 . 2]" 1
372 1 34 LEU MD1 1 47 GLU QG . . 6.840 3.509 2.006 4.922 . 0 0 "[ . 1 . 2]" 1
373 1 34 LEU MD2 1 36 PHE QE . . 8.460 4.913 3.550 5.831 . 0 0 "[ . 1 . 2]" 1
374 1 34 LEU MD2 1 47 GLU QG . . 6.630 4.598 2.653 5.882 . 0 0 "[ . 1 . 2]" 1
375 1 34 LEU MD2 1 51 ARG H . . 5.680 4.643 4.123 5.198 . 0 0 "[ . 1 . 2]" 1
376 1 34 LEU MD2 1 52 SER HA . . 3.880 2.120 1.810 2.589 . 0 0 "[ . 1 . 2]" 1
377 1 34 LEU MD2 1 52 SER HB2 . . 4.840 2.211 1.757 2.879 . 0 0 "[ . 1 . 2]" 1
378 1 34 LEU MD2 1 52 SER HB3 . . 5.250 3.555 3.087 4.273 . 0 0 "[ . 1 . 2]" 1
379 1 34 LEU HG 1 35 ALA H . . 4.690 4.761 4.662 4.832 0.142 4 0 "[ . 1 . 2]" 1
380 1 35 ALA H 1 50 ALA MB . . 5.000 3.305 2.641 4.192 . 0 0 "[ . 1 . 2]" 1
381 1 35 ALA H 1 51 ARG QB . . 6.380 4.323 3.437 5.203 . 0 0 "[ . 1 . 2]" 1
382 1 35 ALA HA 1 36 PHE H . . 3.140 2.139 2.100 2.169 . 0 0 "[ . 1 . 2]" 1
383 1 35 ALA HA 1 36 PHE QD . . 5.640 4.321 3.832 4.909 . 0 0 "[ . 1 . 2]" 1
384 1 35 ALA MB 1 36 PHE H . . 4.720 3.275 2.978 3.420 . 0 0 "[ . 1 . 2]" 1
385 1 35 ALA MB 1 51 ARG H . . 4.940 3.457 3.173 4.044 . 0 0 "[ . 1 . 2]" 1
386 1 35 ALA MB 1 51 ARG QB . . 7.400 3.058 1.824 4.870 . 0 0 "[ . 1 . 2]" 1
387 1 35 ALA MB 1 51 ARG QG . . 5.320 2.960 1.790 4.171 . 0 0 "[ . 1 . 2]" 1
388 1 35 ALA MB 1 53 LEU MD1 . . 5.860 3.399 2.167 4.282 . 0 0 "[ . 1 . 2]" 1
389 1 35 ALA MB 1 53 LEU MD2 . . 5.310 2.850 2.028 3.506 . 0 0 "[ . 1 . 2]" 1
390 1 36 PHE H 1 36 PHE HB2 . . 3.760 2.461 2.396 2.543 . 0 0 "[ . 1 . 2]" 1
391 1 36 PHE H 1 36 PHE QD . . 4.750 2.935 2.365 3.462 . 0 0 "[ . 1 . 2]" 1
392 1 36 PHE HA 1 50 ALA HA . . 5.500 3.521 2.891 4.490 . 0 0 "[ . 1 . 2]" 1
393 1 36 PHE HB2 1 37 PRO QD . . 5.350 4.249 4.128 4.325 . 0 0 "[ . 1 . 2]" 1
394 1 36 PHE HB3 1 37 PRO HD2 . . 5.500 3.659 3.112 4.094 . 0 0 "[ . 1 . 2]" 1
395 1 36 PHE HB3 1 37 PRO HD3 . . 5.500 4.048 3.744 4.512 . 0 0 "[ . 1 . 2]" 1
396 1 36 PHE HB3 1 45 MET HA . . 5.500 2.946 2.197 4.042 . 0 0 "[ . 1 . 2]" 1
397 1 36 PHE QD 1 45 MET HA . . 4.710 2.504 1.762 3.400 . 0 0 "[ . 1 . 2]" 1
398 1 36 PHE QD 1 45 MET ME . . 8.520 4.062 2.924 5.853 . 0 0 "[ . 1 . 2]" 1
399 1 36 PHE QD 1 50 ALA MB . . 5.830 2.486 1.883 3.439 . 0 0 "[ . 1 . 2]" 1
400 1 36 PHE QE 1 45 MET ME . . 8.650 4.036 2.996 6.310 . 0 0 "[ . 1 . 2]" 1
401 1 36 PHE QE 1 47 GLU HA . . 4.970 2.859 1.766 4.429 . 0 0 "[ . 1 . 2]" 1
402 1 36 PHE QE 1 47 GLU QG . . 8.510 3.876 2.050 5.502 . 0 0 "[ . 1 . 2]" 1
403 1 36 PHE QE 1 50 ALA MB . . 7.130 2.892 2.449 3.602 . 0 0 "[ . 1 . 2]" 1
404 1 37 PRO HA 1 38 VAL H . . 2.930 2.157 2.130 2.184 . 0 0 "[ . 1 . 2]" 1
405 1 37 PRO HA 1 38 VAL MG2 . . 5.060 3.660 3.573 3.840 . 0 0 "[ . 1 . 2]" 1
406 1 37 PRO QB 1 38 VAL H . . 3.950 3.308 3.111 3.456 . 0 0 "[ . 1 . 2]" 1
407 1 37 PRO QD 1 50 ALA HA . . 5.350 2.449 1.939 3.346 . 0 0 "[ . 1 . 2]" 1
408 1 37 PRO QD 1 50 ALA MB . . 6.290 2.910 2.051 4.084 . 0 0 "[ . 1 . 2]" 1
409 1 37 PRO QD 1 51 ARG H . . 4.790 2.992 2.336 3.685 . 0 0 "[ . 1 . 2]" 1
410 1 37 PRO QG 1 44 ILE MG . . 5.370 3.747 2.858 4.475 . 0 0 "[ . 1 . 2]" 1
411 1 38 VAL H 1 38 VAL MG2 . . 4.160 2.317 2.210 2.541 . 0 0 "[ . 1 . 2]" 1
412 1 38 VAL H 1 39 ARG H . . 4.690 4.282 4.079 4.458 . 0 0 "[ . 1 . 2]" 1
413 1 38 VAL HA 1 39 ARG H . . 3.020 2.158 2.113 2.213 . 0 0 "[ . 1 . 2]" 1
414 1 38 VAL HA 1 43 PRO HA . . 3.140 1.816 1.721 2.181 . 0 0 "[ . 1 . 2]" 1
415 1 38 VAL HA 1 44 ILE H . . 4.420 2.871 2.377 3.398 . 0 0 "[ . 1 . 2]" 1
416 1 38 VAL HB 1 39 ARG H . . 4.450 4.343 4.246 4.423 . 0 0 "[ . 1 . 2]" 1
417 1 38 VAL MG1 1 39 ARG H . . 4.570 3.104 2.833 3.395 . 0 0 "[ . 1 . 2]" 1
418 1 38 VAL MG1 1 41 GLY H . . 4.600 2.396 1.853 4.169 . 0 0 "[ . 1 . 2]" 1
419 1 38 VAL MG1 1 41 GLY HA2 . . 4.500 3.290 2.333 3.907 . 0 0 "[ . 1 . 2]" 1
420 1 38 VAL MG1 1 41 GLY HA3 . . 5.310 4.220 3.646 4.643 . 0 0 "[ . 1 . 2]" 1
421 1 38 VAL MG1 1 42 VAL H . . 4.970 3.324 2.947 3.608 . 0 0 "[ . 1 . 2]" 1
422 1 38 VAL MG1 1 43 PRO HA . . 4.940 2.860 2.256 3.409 . 0 0 "[ . 1 . 2]" 1
423 1 38 VAL MG1 1 43 PRO HD3 . . 5.370 3.252 2.587 3.604 . 0 0 "[ . 1 . 2]" 1
424 1 38 VAL MG1 1 43 PRO QG . . 5.570 3.168 2.346 4.228 . 0 0 "[ . 1 . 2]" 1
425 1 38 VAL MG2 1 39 ARG H . . 5.740 4.194 4.081 4.298 . 0 0 "[ . 1 . 2]" 1
426 1 39 ARG H 1 39 ARG QB . . 3.600 2.317 2.237 2.436 . 0 0 "[ . 1 . 2]" 1
427 1 39 ARG H 1 42 VAL H . . 3.760 3.721 3.447 3.811 0.051 20 0 "[ . 1 . 2]" 1
428 1 39 ARG H 1 42 VAL HB . . 4.450 3.891 3.331 4.228 . 0 0 "[ . 1 . 2]" 1
429 1 39 ARG H 1 42 VAL QG . . 7.480 4.047 3.746 4.222 . 0 0 "[ . 1 . 2]" 1
430 1 39 ARG H 1 43 PRO HA . . 4.260 3.063 2.593 3.511 . 0 0 "[ . 1 . 2]" 1
431 1 39 ARG H 1 44 ILE MD . . 5.650 3.853 3.372 4.250 . 0 0 "[ . 1 . 2]" 1
432 1 39 ARG H 1 44 ILE HG13 . . 5.310 4.500 3.940 5.186 . 0 0 "[ . 1 . 2]" 1
433 1 39 ARG QB 1 44 ILE MD . . 4.440 2.799 2.196 3.521 . 0 0 "[ . 1 . 2]" 1
434 1 39 ARG QB 1 44 ILE HG13 . . 4.000 3.245 2.485 4.000 . 10 0 "[ . 1 . 2]" 1
435 1 39 ARG QD 1 44 ILE MD . . 4.580 2.975 2.080 4.155 . 0 0 "[ . 1 . 2]" 1
436 1 39 ARG QD 1 44 ILE HG13 . . 4.290 3.635 2.482 4.359 0.069 8 0 "[ . 1 . 2]" 1
437 1 40 ASP H 1 41 GLY H . . 4.790 3.180 2.659 4.030 . 0 0 "[ . 1 . 2]" 1
438 1 40 ASP QB 1 42 VAL QG . . 6.030 4.364 3.237 5.147 . 0 0 "[ . 1 . 2]" 1
439 1 40 ASP HB2 1 41 GLY H . . 5.500 4.509 3.491 4.657 . 0 0 "[ . 1 . 2]" 1
440 1 40 ASP HB3 1 41 GLY H . . 5.500 4.258 1.922 4.497 . 0 0 "[ . 1 . 2]" 1
441 1 41 GLY H 1 42 VAL H . . 3.980 2.900 2.012 3.227 . 0 0 "[ . 1 . 2]" 1
442 1 41 GLY HA3 1 42 VAL QG . . 6.670 3.451 3.270 3.700 . 0 0 "[ . 1 . 2]" 1
443 1 42 VAL H 1 42 VAL HB . . 3.420 2.605 2.551 2.715 . 0 0 "[ . 1 . 2]" 1
444 1 42 VAL HA 1 43 PRO HD2 . . 3.450 2.395 1.913 2.655 . 0 0 "[ . 1 . 2]" 1
445 1 42 VAL HA 1 43 PRO HD3 . . 3.270 2.075 1.825 2.537 . 0 0 "[ . 1 . 2]" 1
446 1 42 VAL HB 1 43 PRO HD2 . . 5.500 4.828 4.470 5.013 . 0 0 "[ . 1 . 2]" 1
447 1 42 VAL HB 1 44 ILE MD . . 6.520 3.625 3.107 4.317 . 0 0 "[ . 1 . 2]" 1
448 1 42 VAL QG 1 43 PRO HD2 . . 5.580 2.876 2.517 3.075 . 0 0 "[ . 1 . 2]" 1
449 1 42 VAL QG 1 43 PRO HD3 . . 7.600 3.439 3.217 3.763 . 0 0 "[ . 1 . 2]" 1
450 1 43 PRO HA 1 44 ILE H . . 3.330 2.160 2.139 2.183 . 0 0 "[ . 1 . 2]" 1
451 1 44 ILE H 1 44 ILE HB . . 3.890 2.555 2.499 2.587 . 0 0 "[ . 1 . 2]" 1
452 1 44 ILE H 1 44 ILE MD . . 5.500 3.255 3.132 3.452 . 0 0 "[ . 1 . 2]" 1
453 1 44 ILE H 1 44 ILE HG12 . . 3.950 2.270 2.138 2.512 . 0 0 "[ . 1 . 2]" 1
454 1 44 ILE H 1 44 ILE HG13 . . 4.200 3.730 3.640 3.908 . 0 0 "[ . 1 . 2]" 1
455 1 44 ILE HA 1 44 ILE MD . . 3.820 2.037 1.989 2.079 . 0 0 "[ . 1 . 2]" 1
456 1 44 ILE HA 1 45 MET H . . 2.650 2.193 2.150 2.248 . 0 0 "[ . 1 . 2]" 1
457 1 44 ILE HB 1 45 MET H . . 5.500 4.421 4.383 4.457 . 0 0 "[ . 1 . 2]" 1
458 1 44 ILE MD 1 45 MET H . . 5.310 3.881 3.807 3.961 . 0 0 "[ . 1 . 2]" 1
459 1 44 ILE MG 1 45 MET H . . 4.380 3.359 3.203 3.537 . 0 0 "[ . 1 . 2]" 1
460 1 44 ILE MG 1 45 MET HA . . 5.460 4.113 3.893 4.217 . 0 0 "[ . 1 . 2]" 1
461 1 44 ILE MG 1 46 LEU H . . 4.440 2.158 1.915 2.543 . 0 0 "[ . 1 . 2]" 1
462 1 44 ILE MG 1 49 GLU HB3 . . 3.910 2.839 2.416 3.684 . 0 0 "[ . 1 . 2]" 1
463 1 44 ILE MG 1 49 GLU QG . . 4.580 3.566 2.072 4.341 . 0 0 "[ . 1 . 2]" 1
464 1 45 MET H 1 45 MET HB2 . . 3.760 2.476 2.421 2.565 . 0 0 "[ . 1 . 2]" 1
465 1 45 MET H 1 45 MET QB . . 3.080 2.437 2.386 2.515 . 0 0 "[ . 1 . 2]" 1
466 1 45 MET H 1 45 MET HB3 . . 3.760 3.634 3.606 3.684 . 0 0 "[ . 1 . 2]" 1
467 1 45 MET H 1 45 MET HG2 . . 3.700 3.226 2.262 3.735 0.035 9 0 "[ . 1 . 2]" 1
468 1 45 MET H 1 45 MET QG . . 2.890 2.445 2.243 2.584 . 0 0 "[ . 1 . 2]" 1
469 1 45 MET H 1 45 MET HG3 . . 3.700 2.955 2.398 3.765 0.065 1 0 "[ . 1 . 2]" 1
470 1 45 MET H 1 46 LEU H . . 4.070 2.767 2.315 3.619 . 0 0 "[ . 1 . 2]" 1
471 1 45 MET HA 1 45 MET ME . . 5.190 3.601 2.678 4.447 . 0 0 "[ . 1 . 2]" 1
472 1 45 MET HA 1 46 LEU H . . 3.480 3.001 2.449 3.342 . 0 0 "[ . 1 . 2]" 1
473 1 46 LEU H 1 46 LEU MD1 . . 5.810 3.776 3.565 4.199 . 0 0 "[ . 1 . 2]" 1
474 1 46 LEU H 1 46 LEU MD2 . . 5.810 3.513 3.271 3.944 . 0 0 "[ . 1 . 2]" 1
475 1 46 LEU H 1 46 LEU HG . . 3.640 2.575 2.263 3.243 . 0 0 "[ . 1 . 2]" 1
476 1 46 LEU HA 1 46 LEU MD2 . . 3.540 2.034 1.981 2.109 . 0 0 "[ . 1 . 2]" 1
477 1 46 LEU HA 1 46 LEU HG . . 3.420 3.121 3.027 3.212 . 0 0 "[ . 1 . 2]" 1
478 1 46 LEU HA 1 47 GLU H . . 3.270 2.146 2.091 2.244 . 0 0 "[ . 1 . 2]" 1
479 1 46 LEU QB 1 49 GLU QG . . 4.530 2.959 2.435 3.336 . 0 0 "[ . 1 . 2]" 1
480 1 46 LEU HB2 1 48 ALA H . . 5.500 4.136 3.486 4.845 . 0 0 "[ . 1 . 2]" 1
481 1 46 LEU HB3 1 48 ALA H . . 5.500 3.101 2.456 3.904 . 0 0 "[ . 1 . 2]" 1
482 1 46 LEU MD1 1 49 GLU HB3 . . 5.280 4.485 3.528 5.307 0.027 12 0 "[ . 1 . 2]" 1
483 1 46 LEU MD1 1 49 GLU HG2 . . 4.570 4.228 2.950 4.630 0.060 11 0 "[ . 1 . 2]" 1
484 1 46 LEU MD1 1 49 GLU QG . . 3.930 3.125 2.205 3.514 . 0 0 "[ . 1 . 2]" 1
485 1 46 LEU MD1 1 49 GLU HG3 . . 4.570 3.294 2.252 4.226 . 0 0 "[ . 1 . 2]" 1
486 1 46 LEU MD2 1 47 GLU H . . 5.150 3.653 3.496 3.798 . 0 0 "[ . 1 . 2]" 1
487 1 46 LEU MD2 1 49 GLU QG . . 5.050 4.778 4.203 5.077 0.027 4 0 "[ . 1 . 2]" 1
488 1 47 GLU H 1 48 ALA H . . 3.980 2.669 2.412 2.892 . 0 0 "[ . 1 . 2]" 1
489 1 47 GLU HA 1 50 ALA H . . 3.670 3.398 2.779 3.753 0.083 13 0 "[ . 1 . 2]" 1
490 1 47 GLU HA 1 50 ALA MB . . 4.290 2.428 1.863 3.222 . 0 0 "[ . 1 . 2]" 1
491 1 47 GLU HB2 1 48 ALA H . . 5.500 3.566 2.672 4.146 . 0 0 "[ . 1 . 2]" 1
492 1 47 GLU HB3 1 48 ALA H . . 5.500 3.537 2.441 4.487 . 0 0 "[ . 1 . 2]" 1
493 1 47 GLU QG 1 48 ALA H . . 6.070 3.824 2.403 4.460 . 0 0 "[ . 1 . 2]" 1
494 1 48 ALA H 1 48 ALA MB . . 3.450 2.256 2.228 2.341 . 0 0 "[ . 1 . 2]" 1
495 1 48 ALA H 1 49 GLU H . . 3.830 2.544 2.288 2.670 . 0 0 "[ . 1 . 2]" 1
496 1 48 ALA HA 1 50 ALA H . . 4.880 3.987 3.611 4.828 . 0 0 "[ . 1 . 2]" 1
497 1 48 ALA MB 1 49 GLU H . . 4.600 3.021 2.770 3.361 . 0 0 "[ . 1 . 2]" 1
498 1 48 ALA MB 1 49 GLU HG2 . . 5.000 3.713 2.735 4.973 . 0 0 "[ . 1 . 2]" 1
499 1 48 ALA MB 1 49 GLU QG . . 4.160 2.936 2.664 3.830 . 0 0 "[ . 1 . 2]" 1
500 1 48 ALA MB 1 49 GLU HG3 . . 5.000 3.326 2.748 4.374 . 0 0 "[ . 1 . 2]" 1
501 1 49 GLU H 1 49 GLU HG2 . . 5.500 3.684 2.573 4.268 . 0 0 "[ . 1 . 2]" 1
502 1 49 GLU H 1 49 GLU HG3 . . 5.500 3.241 2.622 4.118 . 0 0 "[ . 1 . 2]" 1
503 1 49 GLU HB3 1 50 ALA H . . 4.420 4.290 3.796 4.420 0.000 5 0 "[ . 1 . 2]" 1
504 1 50 ALA HA 1 51 ARG H . . 2.960 2.334 2.150 2.716 . 0 0 "[ . 1 . 2]" 1
505 1 50 ALA MB 1 51 ARG H . . 4.070 2.583 1.898 3.071 . 0 0 "[ . 1 . 2]" 1
506 1 51 ARG HA 1 52 SER H . . 2.900 2.229 2.119 2.513 . 0 0 "[ . 1 . 2]" 1
507 1 51 ARG QB 1 52 SER H . . 5.110 3.365 2.316 3.981 . 0 0 "[ . 1 . 2]" 1
508 1 51 ARG QG 1 52 SER H . . 4.860 3.254 2.550 4.075 . 0 0 "[ . 1 . 2]" 1
509 1 51 ARG QH1 1 53 LEU MD2 . . 6.770 4.134 1.953 5.599 . 0 0 "[ . 1 . 2]" 1
510 1 52 SER H 1 52 SER HB2 . . 2.870 2.909 2.806 3.016 0.146 20 0 "[ . 1 . 2]" 1
511 1 52 SER H 1 52 SER HB3 . . 2.830 2.396 2.293 2.555 . 0 0 "[ . 1 . 2]" 1
512 1 52 SER HA 1 52 SER HB2 . . 2.800 2.367 2.301 2.442 . 0 0 "[ . 1 . 2]" 1
513 1 52 SER HA 1 52 SER HB3 . . 2.900 3.005 2.993 3.016 0.116 1 0 "[ . 1 . 2]" 1
514 1 52 SER HA 1 53 LEU H . . 2.830 2.252 2.089 2.467 . 0 0 "[ . 1 . 2]" 1
515 1 52 SER HB2 1 53 LEU H . . 3.520 3.730 3.677 3.824 0.304 7 0 "[ . 1 . 2]" 1
516 1 52 SER HB2 1 55 ALA MB . . 5.000 3.654 2.963 4.803 . 0 0 "[ . 1 . 2]" 1
517 1 52 SER HB3 1 55 ALA H . . 4.320 2.855 1.812 3.624 . 0 0 "[ . 1 . 2]" 1
518 1 52 SER HB3 1 55 ALA MB . . 4.630 2.449 1.774 3.836 . 0 0 "[ . 1 . 2]" 1
519 1 53 LEU H 1 53 LEU QB . . 3.490 2.474 2.380 2.591 . 0 0 "[ . 1 . 2]" 1
520 1 53 LEU H 1 53 LEU MD2 . . 4.690 3.527 3.344 3.720 . 0 0 "[ . 1 . 2]" 1
521 1 53 LEU H 1 53 LEU HG . . 3.020 2.641 2.365 2.907 . 0 0 "[ . 1 . 2]" 1
522 1 53 LEU HA 1 53 LEU MD1 . . 4.750 3.860 3.813 3.901 . 0 0 "[ . 1 . 2]" 1
523 1 53 LEU HA 1 53 LEU MD2 . . 3.420 2.022 1.951 2.098 . 0 0 "[ . 1 . 2]" 1
524 1 53 LEU HA 1 53 LEU HG . . 3.730 3.154 3.095 3.196 . 0 0 "[ . 1 . 2]" 1
525 1 53 LEU HA 1 55 ALA H . . 4.450 4.051 3.447 4.579 0.129 17 0 "[ . 1 . 2]" 1
526 1 54 ASP H 1 54 ASP HB2 . . 3.550 2.740 2.353 3.017 . 0 0 "[ . 1 . 2]" 1
527 1 54 ASP H 1 54 ASP QB . . 2.860 2.349 2.215 2.618 . 0 0 "[ . 1 . 2]" 1
528 1 54 ASP H 1 54 ASP HB3 . . 3.550 2.691 2.291 3.623 0.073 12 0 "[ . 1 . 2]" 1
529 1 54 ASP H 1 55 ALA H . . 3.360 2.163 1.826 2.539 . 0 0 "[ . 1 . 2]" 1
530 1 54 ASP QB 1 55 ALA H . . 3.720 2.925 2.372 3.552 . 0 0 "[ . 1 . 2]" 1
531 1 54 ASP HB2 1 55 ALA H . . 4.260 3.943 3.209 4.238 . 0 0 "[ . 1 . 2]" 1
532 1 54 ASP HB3 1 55 ALA H . . 4.260 3.114 2.397 4.269 0.009 19 0 "[ . 1 . 2]" 1
533 1 55 ALA H 1 55 ALA MB . . 3.480 2.358 2.262 2.571 . 0 0 "[ . 1 . 2]" 1
534 1 55 ALA H 1 56 GLU H . . 3.890 2.620 1.939 3.947 0.057 1 0 "[ . 1 . 2]" 1
535 1 55 ALA MB 1 56 GLU H . . 4.220 3.297 2.633 3.631 . 0 0 "[ . 1 . 2]" 1
536 1 56 GLU H 1 56 GLU QB . . 3.410 2.521 2.246 3.271 . 0 0 "[ . 1 . 2]" 1
537 1 56 GLU HA 1 57 ALA H . . 2.870 2.507 2.109 3.030 0.160 20 0 "[ . 1 . 2]" 1
538 1 56 GLU QB 1 57 ALA H . . 3.690 2.898 1.837 3.916 0.226 12 0 "[ . 1 . 2]" 1
539 1 56 GLU HB2 1 57 ALA H . . 4.350 3.644 1.845 4.436 0.086 12 0 "[ . 1 . 2]" 1
540 1 56 GLU HB3 1 57 ALA H . . 4.350 3.301 1.951 4.358 0.008 12 0 "[ . 1 . 2]" 1
541 1 56 GLU QG 1 57 ALA H . . 6.290 3.115 1.660 4.557 . 0 0 "[ . 1 . 2]" 1
542 1 57 ALA MB 1 58 PRO QD . . 3.980 2.621 1.768 3.397 . 0 0 "[ . 1 . 2]" 1
543 1 58 PRO HA 1 59 ALA H . . 2.770 2.251 2.141 2.782 0.012 6 0 "[ . 1 . 2]" 1
544 1 58 PRO QB 1 59 ALA H . . 3.730 3.285 1.970 3.844 0.114 16 0 "[ . 1 . 2]" 1
545 1 58 PRO QB 1 59 ALA MB . . 6.290 4.561 3.422 4.944 . 0 0 "[ . 1 . 2]" 1
546 1 58 PRO HB2 1 59 ALA H . . 4.380 3.670 2.033 4.280 . 0 0 "[ . 1 . 2]" 1
547 1 58 PRO HB3 1 59 ALA H . . 4.380 3.779 2.647 4.362 . 0 0 "[ . 1 . 2]" 1
548 1 59 ALA H 1 59 ALA MB . . 3.670 2.298 2.226 2.572 . 0 0 "[ . 1 . 2]" 1
549 1 60 GLN H 1 60 GLN QB . . 3.640 2.556 2.245 3.323 . 0 0 "[ . 1 . 2]" 1
550 1 60 GLN QB 1 61 PRO QD . . 4.760 2.892 2.066 3.873 . 0 0 "[ . 1 . 2]" 1
551 1 61 PRO HA 1 62 SER H . . 3.210 2.366 2.119 3.497 0.287 2 0 "[ . 1 . 2]" 1
552 1 62 SER H 1 62 SER QB . . 3.590 2.607 2.274 3.408 . 0 0 "[ . 1 . 2]" 1
553 1 62 SER HA 1 63 LEU H . . 3.050 2.327 2.123 3.049 . 0 0 "[ . 1 . 2]" 1
554 1 62 SER QB 1 63 LEU H . . 4.270 3.409 1.830 3.921 . 0 0 "[ . 1 . 2]" 1
555 1 63 LEU H 1 63 LEU HG . . 4.350 3.214 2.346 4.401 0.051 8 0 "[ . 1 . 2]" 1
556 1 63 LEU HA 1 63 LEU MD2 . . 4.190 2.630 1.960 3.904 . 0 0 "[ . 1 . 2]" 1
557 1 63 LEU HA 1 64 GLU H . . 3.300 2.439 2.126 3.413 0.113 18 0 "[ . 1 . 2]" 1
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