NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
578790 |
2mi5   |
19666 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mi5
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 897
_Distance_constraint_stats_list.Viol_count 488
_Distance_constraint_stats_list.Viol_total 69.651
_Distance_constraint_stats_list.Viol_max 0.066
_Distance_constraint_stats_list.Viol_rms 0.0019
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0071
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ALA 0.003 0.003 14 0 "[ . 1 . 2]"
1 3 LYS 0.000 0.000 16 0 "[ . 1 . 2]"
1 4 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLY 0.003 0.002 1 0 "[ . 1 . 2]"
1 6 ASP 0.016 0.004 15 0 "[ . 1 . 2]"
1 7 VAL 0.023 0.004 15 0 "[ . 1 . 2]"
1 8 GLU 0.067 0.014 12 0 "[ . 1 . 2]"
1 9 GLY 0.031 0.004 4 0 "[ . 1 . 2]"
1 10 PRO 0.154 0.015 1 0 "[ . 1 . 2]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLY 0.085 0.015 1 0 "[ . 1 . 2]"
1 13 CYS 0.124 0.014 10 0 "[ . 1 . 2]"
1 14 LYS 0.213 0.015 12 0 "[ . 1 . 2]"
1 15 LYS 0.020 0.003 14 0 "[ . 1 . 2]"
1 16 TYR 0.074 0.014 5 0 "[ . 1 . 2]"
1 17 ASP 0.018 0.014 5 0 "[ . 1 . 2]"
1 18 VAL 0.151 0.015 12 0 "[ . 1 . 2]"
1 19 GLU 0.200 0.017 8 0 "[ . 1 . 2]"
1 20 CYS 0.195 0.037 15 0 "[ . 1 . 2]"
1 21 ASP 0.060 0.009 20 0 "[ . 1 . 2]"
1 22 SER 0.001 0.001 12 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLU 0.120 0.037 15 0 "[ . 1 . 2]"
1 25 CYS 0.016 0.016 15 0 "[ . 1 . 2]"
1 26 CYS 0.305 0.025 15 0 "[ . 1 . 2]"
1 27 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LYS 0.117 0.018 15 0 "[ . 1 . 2]"
1 29 GLN 0.017 0.005 16 0 "[ . 1 . 2]"
1 30 TYR 0.026 0.005 15 0 "[ . 1 . 2]"
1 31 LEU 0.101 0.014 15 0 "[ . 1 . 2]"
1 32 TRP 0.004 0.002 8 0 "[ . 1 . 2]"
1 33 TYR 0.010 0.005 15 0 "[ . 1 . 2]"
1 34 LYS 0.022 0.011 16 0 "[ . 1 . 2]"
1 35 TRP 0.040 0.011 16 0 "[ . 1 . 2]"
1 36 ARG 0.543 0.051 15 0 "[ . 1 . 2]"
1 37 PRO 0.839 0.025 13 0 "[ . 1 . 2]"
1 38 LEU 0.571 0.025 13 0 "[ . 1 . 2]"
1 39 ASP 0.052 0.023 16 0 "[ . 1 . 2]"
1 40 CYS 0.006 0.003 17 0 "[ . 1 . 2]"
1 41 ARG 0.187 0.064 16 0 "[ . 1 . 2]"
1 42 CYS 0.115 0.044 16 0 "[ . 1 . 2]"
1 43 LEU 0.285 0.066 17 0 "[ . 1 . 2]"
1 44 LYS 0.203 0.039 14 0 "[ . 1 . 2]"
1 45 SER 0.030 0.019 9 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 PHE 0.001 0.001 15 0 "[ . 1 . 2]"
1 48 PHE 0.012 0.011 16 0 "[ . 1 . 2]"
1 49 SER 0.303 0.054 13 0 "[ . 1 . 2]"
1 50 SER 0.318 0.054 13 0 "[ . 1 . 2]"
1 51 LYS 0.132 0.037 17 0 "[ . 1 . 2]"
1 52 CYS 0.138 0.037 17 0 "[ . 1 . 2]"
1 53 VAL 0.152 0.023 14 0 "[ . 1 . 2]"
1 54 CYS 0.041 0.025 15 0 "[ . 1 . 2]"
1 55 ARG 0.137 0.038 16 0 "[ . 1 . 2]"
1 56 ASP 0.131 0.051 15 0 "[ . 1 . 2]"
1 57 VAL 0.008 0.004 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 SER HA 1 2 ALA MB . . 4.510 4.038 3.853 4.338 . 0 0 "[ . 1 . 2]" 1
2 1 1 SER QB 1 2 ALA H . . 4.270 3.246 2.023 4.054 . 0 0 "[ . 1 . 2]" 1
3 1 1 SER HB2 1 2 ALA H . . 4.860 3.779 2.255 4.656 . 0 0 "[ . 1 . 2]" 1
4 1 1 SER HB3 1 2 ALA H . . 4.860 3.852 2.039 4.552 . 0 0 "[ . 1 . 2]" 1
5 1 2 ALA H 1 2 ALA MB . . 3.560 2.228 2.025 2.382 . 0 0 "[ . 1 . 2]" 1
6 1 2 ALA HA 1 3 LYS H . . 2.800 2.341 2.142 2.523 . 0 0 "[ . 1 . 2]" 1
7 1 2 ALA MB 1 3 LYS H . . 3.490 2.618 2.193 3.235 . 0 0 "[ . 1 . 2]" 1
8 1 2 ALA MB 1 6 ASP HB2 . . 4.380 2.807 2.335 3.240 . 0 0 "[ . 1 . 2]" 1
9 1 2 ALA MB 1 6 ASP HB3 . . 4.360 2.937 2.417 3.519 . 0 0 "[ . 1 . 2]" 1
10 1 2 ALA MB 1 30 TYR H . . 5.020 4.950 4.870 5.019 . 0 0 "[ . 1 . 2]" 1
11 1 2 ALA MB 1 30 TYR HB2 . . 4.300 2.971 2.829 3.140 . 0 0 "[ . 1 . 2]" 1
12 1 2 ALA MB 1 30 TYR HD1 . . 4.290 3.653 3.254 4.181 . 0 0 "[ . 1 . 2]" 1
13 1 2 ALA MB 1 30 TYR HE1 . . 4.650 3.873 3.165 4.553 . 0 0 "[ . 1 . 2]" 1
14 1 2 ALA MB 1 30 TYR QE . . 4.100 3.190 2.854 3.707 . 0 0 "[ . 1 . 2]" 1
15 1 2 ALA MB 1 35 TRP HE1 . . 3.450 3.171 2.679 3.453 0.003 14 0 "[ . 1 . 2]" 1
16 1 2 ALA MB 1 35 TRP HH2 . . 3.990 3.270 2.779 3.886 . 0 0 "[ . 1 . 2]" 1
17 1 2 ALA MB 1 35 TRP HZ2 . . 3.470 2.137 1.968 2.433 . 0 0 "[ . 1 . 2]" 1
18 1 3 LYS H 1 3 LYS QD . . 5.340 4.185 2.372 4.737 . 0 0 "[ . 1 . 2]" 1
19 1 3 LYS H 1 3 LYS QE . . 5.340 4.547 3.159 5.340 0.000 16 0 "[ . 1 . 2]" 1
20 1 3 LYS H 1 3 LYS HG2 . . 4.850 3.144 2.137 4.621 . 0 0 "[ . 1 . 2]" 1
21 1 3 LYS H 1 3 LYS HG3 . . 4.850 3.383 2.377 4.527 . 0 0 "[ . 1 . 2]" 1
22 1 3 LYS HA 1 4 ASP H . . 2.780 2.515 2.334 2.655 . 0 0 "[ . 1 . 2]" 1
23 1 3 LYS HA 1 4 ASP QB . . 4.780 4.409 4.168 4.778 . 0 0 "[ . 1 . 2]" 1
24 1 3 LYS QB 1 4 ASP H . . 3.270 2.318 1.968 3.230 . 0 0 "[ . 1 . 2]" 1
25 1 3 LYS QB 1 4 ASP QB . . 4.690 3.926 3.644 4.552 . 0 0 "[ . 1 . 2]" 1
26 1 3 LYS QD 1 4 ASP H . . 5.340 3.927 2.612 4.946 . 0 0 "[ . 1 . 2]" 1
27 1 3 LYS QE 1 4 ASP H . . 5.340 4.465 2.702 5.234 . 0 0 "[ . 1 . 2]" 1
28 1 3 LYS HG2 1 4 ASP H . . 5.260 4.027 2.056 4.859 . 0 0 "[ . 1 . 2]" 1
29 1 3 LYS HG3 1 4 ASP H . . 5.260 3.868 2.021 5.138 . 0 0 "[ . 1 . 2]" 1
30 1 4 ASP H 1 4 ASP QB . . 2.850 2.265 2.172 2.476 . 0 0 "[ . 1 . 2]" 1
31 1 4 ASP H 1 5 GLY H . . 4.640 4.519 4.452 4.637 . 0 0 "[ . 1 . 2]" 1
32 1 4 ASP HA 1 5 GLY H . . 2.770 2.159 2.143 2.267 . 0 0 "[ . 1 . 2]" 1
33 1 4 ASP HA 1 5 GLY HA2 . . 4.650 4.405 4.376 4.491 . 0 0 "[ . 1 . 2]" 1
34 1 4 ASP HA 1 30 TYR HB3 . . 4.310 3.915 3.253 4.306 . 0 0 "[ . 1 . 2]" 1
35 1 4 ASP QB 1 5 GLY H . . 4.380 3.557 3.108 3.864 . 0 0 "[ . 1 . 2]" 1
36 1 5 GLY H 1 6 ASP H . . 3.310 2.250 2.035 2.692 . 0 0 "[ . 1 . 2]" 1
37 1 5 GLY H 1 30 TYR HB3 . . 4.200 3.702 3.394 4.137 . 0 0 "[ . 1 . 2]" 1
38 1 5 GLY HA2 1 29 GLN HE21 . . 4.410 3.034 2.459 3.624 . 0 0 "[ . 1 . 2]" 1
39 1 5 GLY HA2 1 29 GLN QE . . 3.790 2.903 2.401 3.331 . 0 0 "[ . 1 . 2]" 1
40 1 5 GLY HA2 1 29 GLN HE22 . . 4.410 3.766 3.352 4.189 . 0 0 "[ . 1 . 2]" 1
41 1 5 GLY HA3 1 29 GLN QE . . 4.830 4.451 3.939 4.832 0.002 1 0 "[ . 1 . 2]" 1
42 1 6 ASP H 1 6 ASP HB2 . . 3.170 2.313 2.155 2.431 . 0 0 "[ . 1 . 2]" 1
43 1 6 ASP H 1 6 ASP HB3 . . 3.750 3.299 2.875 3.597 . 0 0 "[ . 1 . 2]" 1
44 1 6 ASP H 1 7 VAL HA . . 5.500 5.270 5.043 5.504 0.004 15 0 "[ . 1 . 2]" 1
45 1 6 ASP H 1 30 TYR HB2 . . 4.390 3.955 3.505 4.383 . 0 0 "[ . 1 . 2]" 1
46 1 6 ASP H 1 30 TYR HB3 . . 4.030 3.084 2.682 3.449 . 0 0 "[ . 1 . 2]" 1
47 1 6 ASP HA 1 7 VAL H . . 3.020 2.190 2.142 2.245 . 0 0 "[ . 1 . 2]" 1
48 1 6 ASP HA 1 7 VAL MG2 . . 3.880 3.619 3.458 3.824 . 0 0 "[ . 1 . 2]" 1
49 1 6 ASP HB2 1 7 VAL H . . 4.500 4.294 4.157 4.412 . 0 0 "[ . 1 . 2]" 1
50 1 6 ASP HB2 1 30 TYR H . . 4.730 4.317 3.644 4.734 0.004 6 0 "[ . 1 . 2]" 1
51 1 6 ASP HB2 1 30 TYR HB2 . . 3.970 3.225 2.490 3.880 . 0 0 "[ . 1 . 2]" 1
52 1 6 ASP HB2 1 30 TYR HB3 . . 3.720 3.217 2.754 3.675 . 0 0 "[ . 1 . 2]" 1
53 1 6 ASP HB2 1 35 TRP HH2 . . 4.440 3.624 3.091 4.104 . 0 0 "[ . 1 . 2]" 1
54 1 6 ASP HB3 1 7 VAL H . . 3.730 3.385 2.939 3.702 . 0 0 "[ . 1 . 2]" 1
55 1 6 ASP HB3 1 30 TYR H . . 4.670 4.063 3.132 4.671 0.001 10 0 "[ . 1 . 2]" 1
56 1 6 ASP HB3 1 30 TYR HB2 . . 4.230 3.095 2.109 3.912 . 0 0 "[ . 1 . 2]" 1
57 1 6 ASP HB3 1 30 TYR HB3 . . 4.530 3.793 2.789 4.530 . 0 0 "[ . 1 . 2]" 1
58 1 6 ASP HB3 1 35 TRP HH2 . . 3.400 2.277 2.003 2.667 . 0 0 "[ . 1 . 2]" 1
59 1 6 ASP HB3 1 35 TRP HZ2 . . 4.160 3.746 3.177 4.089 . 0 0 "[ . 1 . 2]" 1
60 1 7 VAL H 1 7 VAL MG1 . . 3.710 3.036 2.752 3.254 . 0 0 "[ . 1 . 2]" 1
61 1 7 VAL H 1 7 VAL MG2 . . 2.780 2.102 1.982 2.324 . 0 0 "[ . 1 . 2]" 1
62 1 7 VAL H 1 15 LYS QE . . 4.740 4.486 3.673 4.743 0.003 10 0 "[ . 1 . 2]" 1
63 1 7 VAL H 1 35 TRP HH2 . . 4.590 3.834 3.396 4.394 . 0 0 "[ . 1 . 2]" 1
64 1 7 VAL HA 1 7 VAL MG1 . . 3.160 2.250 2.175 2.311 . 0 0 "[ . 1 . 2]" 1
65 1 7 VAL HA 1 7 VAL MG2 . . 3.480 3.197 3.189 3.201 . 0 0 "[ . 1 . 2]" 1
66 1 7 VAL HA 1 8 GLU H . . 3.070 2.477 2.378 2.538 . 0 0 "[ . 1 . 2]" 1
67 1 7 VAL HA 1 29 GLN HA . . 3.110 2.010 1.996 2.054 . 0 0 "[ . 1 . 2]" 1
68 1 7 VAL HA 1 29 GLN HB2 . . 4.350 3.683 3.367 4.008 . 0 0 "[ . 1 . 2]" 1
69 1 7 VAL HA 1 29 GLN QG . . 4.370 3.368 3.033 3.685 . 0 0 "[ . 1 . 2]" 1
70 1 7 VAL HA 1 30 TYR H . . 3.720 3.264 3.020 3.461 . 0 0 "[ . 1 . 2]" 1
71 1 7 VAL HA 1 35 TRP HH2 . . 4.260 3.813 3.499 4.192 . 0 0 "[ . 1 . 2]" 1
72 1 7 VAL HA 1 35 TRP HZ3 . . 3.280 2.125 1.997 2.403 . 0 0 "[ . 1 . 2]" 1
73 1 7 VAL HB 1 8 GLU H . . 3.190 2.232 2.115 2.438 . 0 0 "[ . 1 . 2]" 1
74 1 7 VAL HB 1 26 CYS HB2 . . 4.080 4.022 3.874 4.081 0.001 16 0 "[ . 1 . 2]" 1
75 1 7 VAL HB 1 26 CYS HB3 . . 3.280 3.207 3.102 3.284 0.004 6 0 "[ . 1 . 2]" 1
76 1 7 VAL QG 1 35 TRP HZ3 . . 4.050 3.732 3.577 3.951 . 0 0 "[ . 1 . 2]" 1
77 1 7 VAL MG1 1 15 LYS HA . . 3.240 2.551 2.288 2.806 . 0 0 "[ . 1 . 2]" 1
78 1 7 VAL MG1 1 15 LYS HD2 . . 4.560 4.240 3.650 4.563 0.003 20 0 "[ . 1 . 2]" 1
79 1 7 VAL MG1 1 15 LYS QD . . 3.970 3.689 3.443 3.850 . 0 0 "[ . 1 . 2]" 1
80 1 7 VAL MG1 1 15 LYS HD3 . . 4.560 4.172 3.612 4.559 . 0 0 "[ . 1 . 2]" 1
81 1 7 VAL MG1 1 15 LYS QE . . 3.380 3.183 2.884 3.378 . 0 0 "[ . 1 . 2]" 1
82 1 7 VAL MG1 1 15 LYS HG2 . . 3.190 2.247 1.883 2.990 . 0 0 "[ . 1 . 2]" 1
83 1 7 VAL MG1 1 15 LYS HG3 . . 3.190 2.526 2.012 3.102 . 0 0 "[ . 1 . 2]" 1
84 1 7 VAL MG1 1 16 TYR H . . 3.970 3.343 2.890 3.733 . 0 0 "[ . 1 . 2]" 1
85 1 7 VAL MG1 1 26 CYS HB3 . . 4.030 3.755 3.445 3.984 . 0 0 "[ . 1 . 2]" 1
86 1 7 VAL MG1 1 28 LYS H . . 5.380 4.998 4.674 5.380 0.000 6 0 "[ . 1 . 2]" 1
87 1 7 VAL MG1 1 29 GLN H . . 5.280 4.756 4.455 5.083 . 0 0 "[ . 1 . 2]" 1
88 1 7 VAL MG1 1 29 GLN HA . . 3.230 2.539 2.206 2.856 . 0 0 "[ . 1 . 2]" 1
89 1 7 VAL MG1 1 29 GLN HB2 . . 3.410 2.448 2.130 2.851 . 0 0 "[ . 1 . 2]" 1
90 1 7 VAL MG1 1 29 GLN HB3 . . 4.110 3.733 3.511 4.013 . 0 0 "[ . 1 . 2]" 1
91 1 7 VAL MG1 1 29 GLN HE21 . . 4.540 3.416 2.968 3.911 . 0 0 "[ . 1 . 2]" 1
92 1 7 VAL MG1 1 29 GLN QE . . 3.860 3.029 2.590 3.448 . 0 0 "[ . 1 . 2]" 1
93 1 7 VAL MG1 1 29 GLN HE22 . . 4.540 3.393 2.855 3.833 . 0 0 "[ . 1 . 2]" 1
94 1 7 VAL MG1 1 29 GLN HG2 . . 3.690 3.554 3.454 3.650 . 0 0 "[ . 1 . 2]" 1
95 1 7 VAL MG1 1 29 GLN QG . . 3.160 2.193 1.982 2.402 . 0 0 "[ . 1 . 2]" 1
96 1 7 VAL MG1 1 29 GLN HG3 . . 3.690 2.214 1.993 2.436 . 0 0 "[ . 1 . 2]" 1
97 1 7 VAL MG1 1 30 TYR H . . 3.780 3.416 3.183 3.709 . 0 0 "[ . 1 . 2]" 1
98 1 7 VAL MG2 1 8 GLU H . . 3.870 3.276 3.113 3.558 . 0 0 "[ . 1 . 2]" 1
99 1 7 VAL MG2 1 9 GLY H . . 4.900 4.664 4.366 4.880 . 0 0 "[ . 1 . 2]" 1
100 1 7 VAL MG2 1 15 LYS QE . . 3.490 2.432 1.942 3.449 . 0 0 "[ . 1 . 2]" 1
101 1 7 VAL MG2 1 15 LYS QG . . 4.020 2.325 1.899 2.734 . 0 0 "[ . 1 . 2]" 1
102 1 7 VAL MG2 1 26 CYS HB3 . . 4.610 4.141 3.870 4.333 . 0 0 "[ . 1 . 2]" 1
103 1 8 GLU H 1 8 GLU HB2 . . 3.930 2.751 2.391 3.097 . 0 0 "[ . 1 . 2]" 1
104 1 8 GLU H 1 8 GLU HB3 . . 3.930 3.006 2.517 3.650 . 0 0 "[ . 1 . 2]" 1
105 1 8 GLU H 1 8 GLU QG . . 4.390 3.889 3.241 4.212 . 0 0 "[ . 1 . 2]" 1
106 1 8 GLU H 1 26 CYS HB2 . . 5.410 5.278 5.152 5.329 . 0 0 "[ . 1 . 2]" 1
107 1 8 GLU H 1 26 CYS HB3 . . 3.850 3.850 3.786 3.864 0.014 12 0 "[ . 1 . 2]" 1
108 1 8 GLU H 1 28 LYS H . . 3.480 2.603 2.435 2.916 . 0 0 "[ . 1 . 2]" 1
109 1 8 GLU HA 1 9 GLY H . . 3.080 2.212 2.166 2.255 . 0 0 "[ . 1 . 2]" 1
110 1 8 GLU QB 1 9 GLY H . . 3.770 3.394 2.911 3.698 . 0 0 "[ . 1 . 2]" 1
111 1 8 GLU QB 1 28 LYS H . . 3.600 2.370 2.035 2.803 . 0 0 "[ . 1 . 2]" 1
112 1 8 GLU HB2 1 9 GLY H . . 4.380 4.195 4.032 4.303 . 0 0 "[ . 1 . 2]" 1
113 1 8 GLU HB2 1 28 LYS H . . 4.170 3.316 2.239 3.985 . 0 0 "[ . 1 . 2]" 1
114 1 8 GLU HB3 1 9 GLY H . . 4.380 3.633 2.971 4.089 . 0 0 "[ . 1 . 2]" 1
115 1 8 GLU HB3 1 28 LYS H . . 4.170 2.722 2.047 3.686 . 0 0 "[ . 1 . 2]" 1
116 1 8 GLU QG 1 9 GLY H . . 3.650 2.876 2.193 3.646 . 0 0 "[ . 1 . 2]" 1
117 1 9 GLY HA3 1 10 PRO HD2 . . 2.750 2.064 2.048 2.072 . 0 0 "[ . 1 . 2]" 1
118 1 9 GLY HA3 1 10 PRO HG2 . . 4.200 4.200 4.189 4.204 0.004 4 0 "[ . 1 . 2]" 1
119 1 9 GLY HA3 1 27 GLN H . . 3.760 3.215 2.785 3.383 . 0 0 "[ . 1 . 2]" 1
120 1 9 GLY HA3 1 27 GLN QG . . 3.690 2.088 1.956 2.430 . 0 0 "[ . 1 . 2]" 1
121 1 10 PRO HA 1 11 ALA H . . 2.720 2.192 2.176 2.217 . 0 0 "[ . 1 . 2]" 1
122 1 10 PRO HA 1 11 ALA MB . . 4.180 3.978 3.942 4.032 . 0 0 "[ . 1 . 2]" 1
123 1 10 PRO HB2 1 11 ALA H . . 3.560 3.277 3.168 3.358 . 0 0 "[ . 1 . 2]" 1
124 1 10 PRO HB2 1 12 GLY H . . 5.500 5.501 5.463 5.515 0.015 1 0 "[ . 1 . 2]" 1
125 1 10 PRO HB3 1 11 ALA H . . 3.990 3.834 3.766 3.885 . 0 0 "[ . 1 . 2]" 1
126 1 10 PRO HB3 1 13 CYS HB3 . . 5.500 5.270 5.205 5.338 . 0 0 "[ . 1 . 2]" 1
127 1 10 PRO HD2 1 13 CYS HB2 . . 4.040 3.974 3.917 4.041 0.001 10 0 "[ . 1 . 2]" 1
128 1 10 PRO HD2 1 13 CYS HB3 . . 3.400 3.137 3.094 3.209 . 0 0 "[ . 1 . 2]" 1
129 1 10 PRO HD2 1 27 GLN H . . 4.190 3.968 3.300 4.170 . 0 0 "[ . 1 . 2]" 1
130 1 10 PRO HD2 1 27 GLN QG . . 3.830 3.021 2.445 3.305 . 0 0 "[ . 1 . 2]" 1
131 1 10 PRO HG2 1 13 CYS HB2 . . 3.780 3.775 3.739 3.784 0.004 12 0 "[ . 1 . 2]" 1
132 1 10 PRO HG2 1 13 CYS HB3 . . 3.360 2.547 2.439 2.657 . 0 0 "[ . 1 . 2]" 1
133 1 10 PRO HG3 1 13 CYS HB2 . . 5.220 5.217 5.178 5.226 0.006 12 0 "[ . 1 . 2]" 1
134 1 11 ALA H 1 11 ALA MB . . 2.630 2.109 2.026 2.239 . 0 0 "[ . 1 . 2]" 1
135 1 11 ALA H 1 12 GLY H . . 4.650 4.517 4.516 4.518 . 0 0 "[ . 1 . 2]" 1
136 1 11 ALA HA 1 12 GLY H . . 2.680 2.148 2.147 2.149 . 0 0 "[ . 1 . 2]" 1
137 1 11 ALA HA 1 12 GLY QA . . 4.370 3.919 3.918 3.920 . 0 0 "[ . 1 . 2]" 1
138 1 11 ALA HA 1 13 CYS H . . 3.810 3.446 3.406 3.489 . 0 0 "[ . 1 . 2]" 1
139 1 11 ALA MB 1 12 GLY H . . 3.400 3.204 3.169 3.228 . 0 0 "[ . 1 . 2]" 1
140 1 11 ALA MB 1 12 GLY HA2 . . 4.670 4.344 4.272 4.407 . 0 0 "[ . 1 . 2]" 1
141 1 11 ALA MB 1 12 GLY QA . . 3.860 3.706 3.676 3.736 . 0 0 "[ . 1 . 2]" 1
142 1 11 ALA MB 1 12 GLY HA3 . . 4.670 4.021 3.971 4.089 . 0 0 "[ . 1 . 2]" 1
143 1 11 ALA MB 1 13 CYS H . . 4.790 4.597 4.541 4.655 . 0 0 "[ . 1 . 2]" 1
144 1 12 GLY H 1 13 CYS H . . 3.090 2.148 2.095 2.226 . 0 0 "[ . 1 . 2]" 1
145 1 12 GLY QA 1 13 CYS H . . 2.970 2.903 2.885 2.920 . 0 0 "[ . 1 . 2]" 1
146 1 13 CYS H 1 13 CYS HB2 . . 3.660 3.598 3.581 3.621 . 0 0 "[ . 1 . 2]" 1
147 1 13 CYS H 1 13 CYS HB3 . . 3.110 2.472 2.412 2.542 . 0 0 "[ . 1 . 2]" 1
148 1 13 CYS HA 1 14 LYS H . . 3.110 2.713 2.697 2.717 . 0 0 "[ . 1 . 2]" 1
149 1 13 CYS HB2 1 14 LYS H . . 3.860 2.011 1.986 2.033 . 0 0 "[ . 1 . 2]" 1
150 1 13 CYS HB2 1 26 CYS H . . 4.510 4.486 4.114 4.524 0.014 10 0 "[ . 1 . 2]" 1
151 1 13 CYS HB2 1 26 CYS HB2 . . 4.300 3.594 3.395 3.678 . 0 0 "[ . 1 . 2]" 1
152 1 13 CYS HB2 1 26 CYS HB3 . . 4.860 4.632 4.449 4.670 . 0 0 "[ . 1 . 2]" 1
153 1 13 CYS HB3 1 14 LYS H . . 4.210 3.546 3.532 3.559 . 0 0 "[ . 1 . 2]" 1
154 1 13 CYS HB3 1 26 CYS HB2 . . 5.500 4.908 4.684 5.020 . 0 0 "[ . 1 . 2]" 1
155 1 13 CYS HB3 1 27 GLN H . . 5.500 5.196 4.803 5.408 . 0 0 "[ . 1 . 2]" 1
156 1 14 LYS H 1 14 LYS HB3 . . 3.850 3.575 3.196 3.749 . 0 0 "[ . 1 . 2]" 1
157 1 14 LYS H 1 14 LYS HG2 . . 4.720 3.031 2.318 4.551 . 0 0 "[ . 1 . 2]" 1
158 1 14 LYS H 1 14 LYS QG . . 4.020 2.872 2.299 4.027 0.007 20 0 "[ . 1 . 2]" 1
159 1 14 LYS H 1 14 LYS HG3 . . 4.720 4.021 3.737 4.490 . 0 0 "[ . 1 . 2]" 1
160 1 14 LYS H 1 26 CYS H . . 3.960 3.847 3.636 3.915 . 0 0 "[ . 1 . 2]" 1
161 1 14 LYS HA 1 14 LYS QD . . 3.990 2.255 1.979 2.696 . 0 0 "[ . 1 . 2]" 1
162 1 14 LYS HA 1 14 LYS HE2 . . 5.500 3.938 2.013 4.861 . 0 0 "[ . 1 . 2]" 1
163 1 14 LYS HA 1 14 LYS HE3 . . 5.500 4.019 2.138 4.920 . 0 0 "[ . 1 . 2]" 1
164 1 14 LYS HA 1 14 LYS HG2 . . 4.040 3.313 3.048 3.605 . 0 0 "[ . 1 . 2]" 1
165 1 14 LYS HA 1 14 LYS QG . . 3.230 2.846 2.350 3.142 . 0 0 "[ . 1 . 2]" 1
166 1 14 LYS HA 1 14 LYS HG3 . . 4.040 3.380 2.383 3.816 . 0 0 "[ . 1 . 2]" 1
167 1 14 LYS HA 1 15 LYS H . . 2.870 2.312 2.141 2.431 . 0 0 "[ . 1 . 2]" 1
168 1 14 LYS HA 1 18 VAL HB . . 4.570 3.914 3.388 4.197 . 0 0 "[ . 1 . 2]" 1
169 1 14 LYS HA 1 18 VAL MG1 . . 4.390 3.210 2.816 3.554 . 0 0 "[ . 1 . 2]" 1
170 1 14 LYS HA 1 18 VAL QG . . 3.500 3.124 2.757 3.411 . 0 0 "[ . 1 . 2]" 1
171 1 14 LYS HA 1 18 VAL MG2 . . 4.390 4.292 3.927 4.398 0.008 3 0 "[ . 1 . 2]" 1
172 1 14 LYS HA 1 26 CYS H . . 5.500 5.493 5.347 5.512 0.012 12 0 "[ . 1 . 2]" 1
173 1 14 LYS HB2 1 14 LYS HE2 . . 5.500 4.283 2.328 5.256 . 0 0 "[ . 1 . 2]" 1
174 1 14 LYS HB2 1 14 LYS HE3 . . 5.500 4.659 3.760 5.503 0.003 18 0 "[ . 1 . 2]" 1
175 1 14 LYS HB2 1 18 VAL QG . . 4.490 4.313 4.040 4.493 0.003 10 0 "[ . 1 . 2]" 1
176 1 14 LYS HB2 1 20 CYS HB2 . . 4.680 4.110 3.513 4.665 . 0 0 "[ . 1 . 2]" 1
177 1 14 LYS HB2 1 20 CYS HB3 . . 4.360 3.316 2.681 3.582 . 0 0 "[ . 1 . 2]" 1
178 1 14 LYS HB2 1 26 CYS H . . 3.850 3.195 2.855 3.676 . 0 0 "[ . 1 . 2]" 1
179 1 14 LYS HB3 1 14 LYS HE2 . . 5.500 4.162 3.677 4.704 . 0 0 "[ . 1 . 2]" 1
180 1 14 LYS HB3 1 14 LYS HE3 . . 5.500 4.518 3.235 5.451 . 0 0 "[ . 1 . 2]" 1
181 1 14 LYS HB3 1 15 LYS H . . 3.930 2.924 2.385 3.735 . 0 0 "[ . 1 . 2]" 1
182 1 14 LYS HB3 1 18 VAL HB . . 4.240 3.161 2.843 3.754 . 0 0 "[ . 1 . 2]" 1
183 1 14 LYS HB3 1 20 CYS HB2 . . 5.500 4.557 3.992 4.978 . 0 0 "[ . 1 . 2]" 1
184 1 14 LYS QD 1 18 VAL QG . . 3.080 2.474 1.988 3.089 0.009 14 0 "[ . 1 . 2]" 1
185 1 14 LYS QD 1 20 CYS HA . . 4.010 3.111 2.242 4.011 0.001 1 0 "[ . 1 . 2]" 1
186 1 14 LYS QD 1 20 CYS HB2 . . 4.840 4.375 3.624 4.814 . 0 0 "[ . 1 . 2]" 1
187 1 14 LYS QD 1 20 CYS HB3 . . 4.430 3.770 3.240 4.314 . 0 0 "[ . 1 . 2]" 1
188 1 14 LYS HD2 1 20 CYS HA . . 4.810 3.345 2.264 4.556 . 0 0 "[ . 1 . 2]" 1
189 1 14 LYS HD3 1 20 CYS HA . . 4.810 4.101 2.584 4.742 . 0 0 "[ . 1 . 2]" 1
190 1 14 LYS QE 1 18 VAL QG . . 4.010 3.475 2.111 4.002 . 0 0 "[ . 1 . 2]" 1
191 1 14 LYS QG 1 18 VAL QG . . 3.790 3.235 1.888 3.805 0.015 12 0 "[ . 1 . 2]" 1
192 1 14 LYS QG 1 20 CYS HB2 . . 5.340 2.785 2.368 3.470 . 0 0 "[ . 1 . 2]" 1
193 1 14 LYS QG 1 20 CYS HB3 . . 4.410 2.093 1.982 2.307 . 0 0 "[ . 1 . 2]" 1
194 1 15 LYS H 1 15 LYS HB2 . . 3.760 2.492 2.171 2.653 . 0 0 "[ . 1 . 2]" 1
195 1 15 LYS H 1 15 LYS QB . . 3.250 2.452 2.150 2.602 . 0 0 "[ . 1 . 2]" 1
196 1 15 LYS H 1 15 LYS HB3 . . 3.760 3.666 3.463 3.762 0.002 2 0 "[ . 1 . 2]" 1
197 1 15 LYS H 1 15 LYS QD . . 3.920 3.381 2.174 3.919 . 0 0 "[ . 1 . 2]" 1
198 1 15 LYS H 1 15 LYS QE . . 5.340 4.941 4.177 5.343 0.003 14 0 "[ . 1 . 2]" 1
199 1 15 LYS H 1 15 LYS QG . . 3.790 3.398 2.713 3.789 . 0 0 "[ . 1 . 2]" 1
200 1 15 LYS H 1 18 VAL HB . . 4.100 2.600 2.173 3.537 . 0 0 "[ . 1 . 2]" 1
201 1 15 LYS H 1 18 VAL MG1 . . 4.010 3.075 2.817 3.746 . 0 0 "[ . 1 . 2]" 1
202 1 15 LYS H 1 18 VAL QG . . 3.210 2.654 2.437 3.213 0.003 6 0 "[ . 1 . 2]" 1
203 1 15 LYS H 1 18 VAL MG2 . . 4.010 2.907 2.668 3.497 . 0 0 "[ . 1 . 2]" 1
204 1 15 LYS HA 1 15 LYS HD2 . . 4.860 4.047 3.027 4.670 . 0 0 "[ . 1 . 2]" 1
205 1 15 LYS HA 1 15 LYS QD . . 4.100 3.723 2.925 4.043 . 0 0 "[ . 1 . 2]" 1
206 1 15 LYS HA 1 15 LYS HD3 . . 4.860 4.420 3.873 4.663 . 0 0 "[ . 1 . 2]" 1
207 1 15 LYS HA 1 15 LYS QE . . 5.070 4.487 4.028 4.821 . 0 0 "[ . 1 . 2]" 1
208 1 15 LYS HA 1 15 LYS QG . . 3.110 2.288 2.181 2.402 . 0 0 "[ . 1 . 2]" 1
209 1 15 LYS HA 1 16 TYR H . . 3.150 2.546 2.542 2.549 . 0 0 "[ . 1 . 2]" 1
210 1 15 LYS HA 1 38 LEU MD1 . . 3.630 3.040 2.870 3.350 . 0 0 "[ . 1 . 2]" 1
211 1 15 LYS HA 1 38 LEU MD2 . . 5.500 4.954 4.768 5.339 . 0 0 "[ . 1 . 2]" 1
212 1 15 LYS QB 1 15 LYS QD . . 3.100 2.076 2.007 2.191 . 0 0 "[ . 1 . 2]" 1
213 1 15 LYS QB 1 15 LYS QE . . 4.140 3.478 2.398 3.741 . 0 0 "[ . 1 . 2]" 1
214 1 15 LYS QB 1 16 TYR H . . 3.070 2.117 2.101 2.174 . 0 0 "[ . 1 . 2]" 1
215 1 15 LYS QB 1 16 TYR HA . . 5.340 4.338 4.324 4.349 . 0 0 "[ . 1 . 2]" 1
216 1 15 LYS QB 1 29 GLN QE . . 3.910 2.894 2.525 3.140 . 0 0 "[ . 1 . 2]" 1
217 1 15 LYS HB2 1 16 TYR H . . 3.670 3.542 3.470 3.670 . 16 0 "[ . 1 . 2]" 1
218 1 15 LYS HB3 1 16 TYR H . . 3.670 2.133 2.119 2.190 . 0 0 "[ . 1 . 2]" 1
219 1 15 LYS QE 1 15 LYS QG . . 2.910 2.167 2.043 2.304 . 0 0 "[ . 1 . 2]" 1
220 1 15 LYS QG 1 16 TYR H . . 4.110 3.423 3.094 3.551 . 0 0 "[ . 1 . 2]" 1
221 1 15 LYS QG 1 29 GLN QE . . 3.870 3.677 3.188 3.862 . 0 0 "[ . 1 . 2]" 1
222 1 16 TYR H 1 16 TYR HB2 . . 3.170 2.536 2.468 2.637 . 0 0 "[ . 1 . 2]" 1
223 1 16 TYR H 1 16 TYR HB3 . . 3.240 2.524 2.426 2.595 . 0 0 "[ . 1 . 2]" 1
224 1 16 TYR H 1 16 TYR HD1 . . 4.920 4.679 4.587 4.797 . 0 0 "[ . 1 . 2]" 1
225 1 16 TYR H 1 17 ASP HB2 . . 5.500 5.420 5.212 5.514 0.014 5 0 "[ . 1 . 2]" 1
226 1 16 TYR H 1 18 VAL HB . . 5.500 5.178 5.117 5.259 . 0 0 "[ . 1 . 2]" 1
227 1 16 TYR H 1 18 VAL QG . . 4.960 4.075 3.673 4.429 . 0 0 "[ . 1 . 2]" 1
228 1 16 TYR H 1 29 GLN HE21 . . 3.880 3.567 3.386 3.694 . 0 0 "[ . 1 . 2]" 1
229 1 16 TYR H 1 29 GLN HE22 . . 3.880 1.970 1.898 2.064 . 0 0 "[ . 1 . 2]" 1
230 1 16 TYR H 1 31 LEU QD . . 5.260 4.582 4.081 4.829 . 0 0 "[ . 1 . 2]" 1
231 1 16 TYR H 1 38 LEU MD1 . . 3.520 3.125 2.995 3.289 . 0 0 "[ . 1 . 2]" 1
232 1 16 TYR H 1 38 LEU MD2 . . 4.330 4.100 3.850 4.334 0.004 6 0 "[ . 1 . 2]" 1
233 1 16 TYR H 1 54 CYS HB2 . . 5.190 4.732 4.341 4.985 . 0 0 "[ . 1 . 2]" 1
234 1 16 TYR HA 1 16 TYR HD1 . . 3.740 2.768 2.607 2.971 . 0 0 "[ . 1 . 2]" 1
235 1 16 TYR HA 1 17 ASP H . . 2.900 2.214 2.177 2.321 . 0 0 "[ . 1 . 2]" 1
236 1 16 TYR HA 1 17 ASP HA . . 4.550 4.406 4.383 4.469 . 0 0 "[ . 1 . 2]" 1
237 1 16 TYR HA 1 18 VAL H . . 4.090 3.872 3.555 4.063 . 0 0 "[ . 1 . 2]" 1
238 1 16 TYR HA 1 31 LEU QD . . 4.980 4.396 3.907 4.712 . 0 0 "[ . 1 . 2]" 1
239 1 16 TYR HA 1 38 LEU MD1 . . 3.930 2.930 2.702 3.208 . 0 0 "[ . 1 . 2]" 1
240 1 16 TYR HA 1 38 LEU MD2 . . 4.010 3.198 2.935 3.461 . 0 0 "[ . 1 . 2]" 1
241 1 16 TYR HA 1 53 VAL HB . . 5.500 5.449 5.125 5.506 0.006 9 0 "[ . 1 . 2]" 1
242 1 16 TYR HA 1 54 CYS HA . . 5.400 5.030 4.711 5.241 . 0 0 "[ . 1 . 2]" 1
243 1 16 TYR HA 1 54 CYS HB2 . . 3.700 2.765 2.290 3.091 . 0 0 "[ . 1 . 2]" 1
244 1 16 TYR HA 1 54 CYS HB3 . . 3.650 3.148 2.795 3.566 . 0 0 "[ . 1 . 2]" 1
245 1 16 TYR QB 1 16 TYR HD1 . . 2.770 2.496 2.415 2.568 . 0 0 "[ . 1 . 2]" 1
246 1 16 TYR QB 1 16 TYR HE1 . . 4.610 4.463 4.426 4.495 . 0 0 "[ . 1 . 2]" 1
247 1 16 TYR HB2 1 16 TYR HD1 . . 3.360 2.537 2.449 2.616 . 0 0 "[ . 1 . 2]" 1
248 1 16 TYR HB2 1 29 GLN QE . . 4.340 2.369 2.161 2.568 . 0 0 "[ . 1 . 2]" 1
249 1 16 TYR HB2 1 31 LEU MD1 . . 3.710 3.206 2.554 3.421 . 0 0 "[ . 1 . 2]" 1
250 1 16 TYR HB2 1 31 LEU MD2 . . 3.710 3.271 2.774 3.572 . 0 0 "[ . 1 . 2]" 1
251 1 16 TYR HB2 1 38 LEU MD1 . . 3.940 3.269 2.894 3.445 . 0 0 "[ . 1 . 2]" 1
252 1 16 TYR HB2 1 38 LEU MD2 . . 3.850 2.884 2.635 3.077 . 0 0 "[ . 1 . 2]" 1
253 1 16 TYR HB3 1 17 ASP H . . 4.350 4.025 3.710 4.113 . 0 0 "[ . 1 . 2]" 1
254 1 16 TYR HB3 1 29 GLN HE21 . . 3.930 3.247 2.948 3.499 . 0 0 "[ . 1 . 2]" 1
255 1 16 TYR HB3 1 29 GLN HE22 . . 3.930 2.071 1.950 2.385 . 0 0 "[ . 1 . 2]" 1
256 1 16 TYR HB3 1 31 LEU MD1 . . 4.610 4.478 3.923 4.611 0.001 13 0 "[ . 1 . 2]" 1
257 1 16 TYR HB3 1 31 LEU QD . . 3.670 3.599 3.163 3.674 0.004 10 0 "[ . 1 . 2]" 1
258 1 16 TYR HB3 1 31 LEU MD2 . . 4.610 3.795 3.336 3.915 . 0 0 "[ . 1 . 2]" 1
259 1 16 TYR HB3 1 38 LEU MD1 . . 4.560 4.477 4.285 4.564 0.004 8 0 "[ . 1 . 2]" 1
260 1 16 TYR HB3 1 38 LEU MD2 . . 4.690 4.422 4.227 4.579 . 0 0 "[ . 1 . 2]" 1
261 1 16 TYR HD1 1 17 ASP H . . 4.030 3.392 2.976 3.637 . 0 0 "[ . 1 . 2]" 1
262 1 16 TYR HD1 1 29 GLN QE . . 5.340 4.646 4.432 4.838 . 0 0 "[ . 1 . 2]" 1
263 1 16 TYR HD1 1 31 LEU MD1 . . 3.730 3.107 2.923 3.274 . 0 0 "[ . 1 . 2]" 1
264 1 16 TYR HD1 1 31 LEU QD . . 3.090 2.889 2.484 3.074 . 0 0 "[ . 1 . 2]" 1
265 1 16 TYR HD1 1 31 LEU MD2 . . 3.730 3.506 2.639 3.731 0.001 7 0 "[ . 1 . 2]" 1
266 1 16 TYR HD1 1 38 LEU MD1 . . 4.340 3.892 3.194 4.160 . 0 0 "[ . 1 . 2]" 1
267 1 16 TYR HD1 1 38 LEU MD2 . . 3.340 2.568 2.010 2.747 . 0 0 "[ . 1 . 2]" 1
268 1 16 TYR HD1 1 55 ARG HA . . 3.460 2.654 2.382 3.409 . 0 0 "[ . 1 . 2]" 1
269 1 16 TYR HD1 1 56 ASP H . . 3.590 3.319 2.897 3.597 0.007 6 0 "[ . 1 . 2]" 1
270 1 16 TYR HE1 1 31 LEU MD1 . . 4.360 4.058 3.772 4.363 0.003 15 0 "[ . 1 . 2]" 1
271 1 16 TYR HE1 1 31 LEU MD2 . . 4.360 4.017 2.908 4.309 . 0 0 "[ . 1 . 2]" 1
272 1 16 TYR HE1 1 38 LEU MD2 . . 4.350 4.149 3.358 4.351 0.001 8 0 "[ . 1 . 2]" 1
273 1 16 TYR HE1 1 55 ARG HA . . 3.620 2.212 1.996 2.608 . 0 0 "[ . 1 . 2]" 1
274 1 16 TYR HE1 1 55 ARG HD2 . . 3.970 2.469 2.019 2.935 . 0 0 "[ . 1 . 2]" 1
275 1 16 TYR HE1 1 55 ARG QD . . 3.400 2.380 1.997 2.729 . 0 0 "[ . 1 . 2]" 1
276 1 16 TYR HE1 1 55 ARG HD3 . . 3.970 3.426 2.392 3.970 . 0 0 "[ . 1 . 2]" 1
277 1 16 TYR HE1 1 55 ARG QG . . 5.000 4.204 3.846 4.373 . 0 0 "[ . 1 . 2]" 1
278 1 16 TYR HE1 1 56 ASP H . . 3.120 2.099 1.944 2.385 . 0 0 "[ . 1 . 2]" 1
279 1 17 ASP H 1 17 ASP HA . . 2.940 2.275 2.274 2.275 . 0 0 "[ . 1 . 2]" 1
280 1 17 ASP H 1 18 VAL H . . 3.470 2.783 2.644 2.864 . 0 0 "[ . 1 . 2]" 1
281 1 17 ASP H 1 18 VAL QG . . 5.280 4.065 4.004 4.213 . 0 0 "[ . 1 . 2]" 1
282 1 17 ASP H 1 53 VAL HB . . 3.900 3.708 3.424 3.898 . 0 0 "[ . 1 . 2]" 1
283 1 17 ASP H 1 53 VAL MG2 . . 4.150 3.784 3.386 3.952 . 0 0 "[ . 1 . 2]" 1
284 1 17 ASP H 1 54 CYS H . . 4.140 3.788 3.227 4.082 . 0 0 "[ . 1 . 2]" 1
285 1 17 ASP H 1 54 CYS HA . . 5.290 4.792 4.407 5.252 . 0 0 "[ . 1 . 2]" 1
286 1 17 ASP H 1 54 CYS HB2 . . 3.880 3.109 2.552 3.418 . 0 0 "[ . 1 . 2]" 1
287 1 17 ASP H 1 54 CYS HB3 . . 4.750 4.015 3.670 4.400 . 0 0 "[ . 1 . 2]" 1
288 1 17 ASP H 1 55 ARG QD . . 5.220 3.386 2.761 4.514 . 0 0 "[ . 1 . 2]" 1
289 1 17 ASP HA 1 53 VAL HB . . 3.240 2.516 2.184 2.964 . 0 0 "[ . 1 . 2]" 1
290 1 17 ASP HA 1 53 VAL MG1 . . 4.070 3.458 3.093 3.663 . 0 0 "[ . 1 . 2]" 1
291 1 17 ASP HA 1 53 VAL MG2 . . 3.630 2.397 2.231 2.829 . 0 0 "[ . 1 . 2]" 1
292 1 17 ASP HB2 1 18 VAL H . . 4.510 4.430 4.289 4.503 . 0 0 "[ . 1 . 2]" 1
293 1 17 ASP HB2 1 18 VAL QG . . 4.540 3.720 3.421 4.131 . 0 0 "[ . 1 . 2]" 1
294 1 17 ASP HB3 1 18 VAL H . . 4.780 4.323 4.208 4.374 . 0 0 "[ . 1 . 2]" 1
295 1 17 ASP HB3 1 18 VAL HA . . 4.850 4.622 4.596 4.682 . 0 0 "[ . 1 . 2]" 1
296 1 17 ASP HB3 1 53 VAL MG2 . . 4.860 4.199 3.809 4.862 0.002 10 0 "[ . 1 . 2]" 1
297 1 18 VAL H 1 18 VAL HB . . 3.460 2.905 2.877 2.921 . 0 0 "[ . 1 . 2]" 1
298 1 18 VAL H 1 18 VAL MG1 . . 3.980 3.944 3.931 3.956 . 0 0 "[ . 1 . 2]" 1
299 1 18 VAL H 1 18 VAL QG . . 2.980 2.947 2.851 2.991 0.011 20 0 "[ . 1 . 2]" 1
300 1 18 VAL H 1 18 VAL MG2 . . 3.980 3.043 2.923 3.099 . 0 0 "[ . 1 . 2]" 1
301 1 18 VAL H 1 19 GLU H . . 4.350 4.306 4.249 4.334 . 0 0 "[ . 1 . 2]" 1
302 1 18 VAL H 1 53 VAL HA . . 4.910 3.809 3.548 4.222 . 0 0 "[ . 1 . 2]" 1
303 1 18 VAL H 1 53 VAL HB . . 4.000 2.236 2.026 2.634 . 0 0 "[ . 1 . 2]" 1
304 1 18 VAL H 1 53 VAL MG2 . . 3.870 3.689 3.469 3.875 0.005 6 0 "[ . 1 . 2]" 1
305 1 18 VAL H 1 54 CYS H . . 3.920 2.278 1.900 2.655 . 0 0 "[ . 1 . 2]" 1
306 1 18 VAL H 1 54 CYS HB2 . . 3.670 2.766 2.512 3.096 . 0 0 "[ . 1 . 2]" 1
307 1 18 VAL H 1 54 CYS HB3 . . 5.200 4.447 4.206 4.761 . 0 0 "[ . 1 . 2]" 1
308 1 18 VAL HA 1 18 VAL MG1 . . 2.990 2.320 2.279 2.400 . 0 0 "[ . 1 . 2]" 1
309 1 18 VAL HA 1 18 VAL QG . . 2.600 2.079 2.054 2.116 . 0 0 "[ . 1 . 2]" 1
310 1 18 VAL HA 1 18 VAL MG2 . . 2.990 2.350 2.310 2.398 . 0 0 "[ . 1 . 2]" 1
311 1 18 VAL HA 1 19 GLU H . . 2.590 2.216 2.174 2.242 . 0 0 "[ . 1 . 2]" 1
312 1 18 VAL HA 1 19 GLU HB2 . . 4.360 4.251 4.176 4.300 . 0 0 "[ . 1 . 2]" 1
313 1 18 VAL HA 1 19 GLU HB3 . . 5.500 5.182 5.023 5.417 . 0 0 "[ . 1 . 2]" 1
314 1 18 VAL HA 1 53 VAL HB . . 4.500 3.663 3.398 3.879 . 0 0 "[ . 1 . 2]" 1
315 1 18 VAL HA 1 53 VAL MG2 . . 5.100 4.785 4.491 5.106 0.006 15 0 "[ . 1 . 2]" 1
316 1 18 VAL HB 1 19 GLU H . . 4.210 3.968 3.890 4.059 . 0 0 "[ . 1 . 2]" 1
317 1 18 VAL QG 1 19 GLU H . . 2.840 2.106 1.949 2.403 . 0 0 "[ . 1 . 2]" 1
318 1 18 VAL QG 1 19 GLU HB2 . . 4.360 3.694 3.529 3.961 . 0 0 "[ . 1 . 2]" 1
319 1 18 VAL QG 1 19 GLU HB3 . . 4.170 3.747 3.588 4.084 . 0 0 "[ . 1 . 2]" 1
320 1 18 VAL MG1 1 19 GLU H . . 4.150 2.115 1.954 2.424 . 0 0 "[ . 1 . 2]" 1
321 1 18 VAL MG2 1 19 GLU H . . 4.150 3.905 3.852 4.034 . 0 0 "[ . 1 . 2]" 1
322 1 19 GLU H 1 19 GLU HB2 . . 3.110 2.168 2.073 2.239 . 0 0 "[ . 1 . 2]" 1
323 1 19 GLU H 1 19 GLU HB3 . . 3.190 2.978 2.874 3.203 0.013 16 0 "[ . 1 . 2]" 1
324 1 19 GLU H 1 19 GLU HG2 . . 4.380 4.307 4.131 4.380 . 0 0 "[ . 1 . 2]" 1
325 1 19 GLU H 1 19 GLU HG3 . . 4.380 4.115 3.709 4.380 . 14 0 "[ . 1 . 2]" 1
326 1 19 GLU H 1 53 VAL HA . . 4.580 4.384 3.982 4.582 0.002 11 0 "[ . 1 . 2]" 1
327 1 19 GLU H 1 53 VAL HB . . 4.850 4.520 4.140 4.852 0.002 15 0 "[ . 1 . 2]" 1
328 1 19 GLU H 1 53 VAL MG1 . . 3.890 3.097 2.779 3.547 . 0 0 "[ . 1 . 2]" 1
329 1 19 GLU HA 1 53 VAL MG1 . . 3.520 2.697 2.001 3.217 . 0 0 "[ . 1 . 2]" 1
330 1 19 GLU HA 1 53 VAL MG2 . . 5.400 5.022 4.687 5.274 . 0 0 "[ . 1 . 2]" 1
331 1 19 GLU HB2 1 20 CYS H . . 4.080 4.064 3.830 4.097 0.017 8 0 "[ . 1 . 2]" 1
332 1 19 GLU HB2 1 53 VAL MG1 . . 4.200 3.446 2.784 3.987 . 0 0 "[ . 1 . 2]" 1
333 1 19 GLU HB3 1 20 CYS H . . 3.940 3.237 2.535 3.453 . 0 0 "[ . 1 . 2]" 1
334 1 19 GLU QG 1 20 CYS H . . 3.560 2.203 1.983 2.585 . 0 0 "[ . 1 . 2]" 1
335 1 19 GLU QG 1 53 VAL MG1 . . 3.580 3.316 2.909 3.514 . 0 0 "[ . 1 . 2]" 1
336 1 19 GLU HG2 1 20 CYS H . . 4.110 2.219 1.992 2.620 . 0 0 "[ . 1 . 2]" 1
337 1 19 GLU HG2 1 53 VAL MG1 . . 4.080 3.953 3.209 4.085 0.005 16 0 "[ . 1 . 2]" 1
338 1 19 GLU HG3 1 20 CYS H . . 4.110 3.800 3.661 3.976 . 0 0 "[ . 1 . 2]" 1
339 1 19 GLU HG3 1 53 VAL MG1 . . 4.080 3.647 2.979 4.088 0.008 6 0 "[ . 1 . 2]" 1
340 1 20 CYS H 1 20 CYS HB2 . . 4.040 3.906 3.820 4.005 . 0 0 "[ . 1 . 2]" 1
341 1 20 CYS H 1 20 CYS HB3 . . 4.150 3.394 3.218 3.509 . 0 0 "[ . 1 . 2]" 1
342 1 20 CYS H 1 21 ASP H . . 4.480 4.394 4.372 4.412 . 0 0 "[ . 1 . 2]" 1
343 1 20 CYS HA 1 21 ASP H . . 3.400 2.426 2.316 2.542 . 0 0 "[ . 1 . 2]" 1
344 1 20 CYS HB2 1 21 ASP H . . 3.730 2.408 2.141 2.651 . 0 0 "[ . 1 . 2]" 1
345 1 20 CYS HB2 1 21 ASP HA . . 4.800 4.638 4.512 4.792 . 0 0 "[ . 1 . 2]" 1
346 1 20 CYS HB2 1 24 GLU QB . . 4.150 4.133 4.032 4.187 0.037 15 0 "[ . 1 . 2]" 1
347 1 20 CYS HB3 1 21 ASP H . . 4.000 3.720 3.518 3.826 . 0 0 "[ . 1 . 2]" 1
348 1 21 ASP H 1 22 SER H . . 4.740 4.539 4.521 4.557 . 0 0 "[ . 1 . 2]" 1
349 1 21 ASP H 1 24 GLU QB . . 4.380 4.365 4.286 4.389 0.009 20 0 "[ . 1 . 2]" 1
350 1 21 ASP QB 1 22 SER H . . 3.400 3.093 2.791 3.401 0.001 12 0 "[ . 1 . 2]" 1
351 1 22 SER HA 1 23 GLY H . . 3.140 3.004 2.982 3.045 . 0 0 "[ . 1 . 2]" 1
352 1 22 SER HB2 1 23 GLY H . . 5.320 4.263 3.966 4.600 . 0 0 "[ . 1 . 2]" 1
353 1 22 SER HB3 1 23 GLY H . . 5.320 4.280 3.943 4.549 . 0 0 "[ . 1 . 2]" 1
354 1 23 GLY H 1 24 GLU H . . 3.910 2.735 2.684 2.774 . 0 0 "[ . 1 . 2]" 1
355 1 24 GLU H 1 24 GLU QB . . 3.320 2.352 2.240 2.471 . 0 0 "[ . 1 . 2]" 1
356 1 24 GLU H 1 24 GLU HG2 . . 4.910 4.175 2.602 4.730 . 0 0 "[ . 1 . 2]" 1
357 1 24 GLU H 1 24 GLU QG . . 4.230 3.570 2.570 4.110 . 0 0 "[ . 1 . 2]" 1
358 1 24 GLU H 1 24 GLU HG3 . . 4.910 4.053 2.901 4.703 . 0 0 "[ . 1 . 2]" 1
359 1 24 GLU HA 1 24 GLU HG2 . . 3.780 2.950 2.285 3.751 . 0 0 "[ . 1 . 2]" 1
360 1 24 GLU HA 1 24 GLU QG . . 3.250 2.484 2.219 3.050 . 0 0 "[ . 1 . 2]" 1
361 1 24 GLU HA 1 24 GLU HG3 . . 3.780 2.896 2.417 3.747 . 0 0 "[ . 1 . 2]" 1
362 1 25 CYS HA 1 26 CYS H . . 3.320 2.449 2.367 2.485 . 0 0 "[ . 1 . 2]" 1
363 1 25 CYS QB 1 26 CYS H . . 3.340 2.385 2.224 2.897 . 0 0 "[ . 1 . 2]" 1
364 1 25 CYS QB 1 38 LEU MD1 . . 3.460 2.757 2.277 3.476 0.016 15 0 "[ . 1 . 2]" 1
365 1 25 CYS QB 1 39 ASP H . . 4.460 3.783 3.453 4.117 . 0 0 "[ . 1 . 2]" 1
366 1 26 CYS H 1 26 CYS HB2 . . 3.390 2.105 2.096 2.119 . 0 0 "[ . 1 . 2]" 1
367 1 26 CYS H 1 26 CYS HB3 . . 3.610 3.089 3.060 3.112 . 0 0 "[ . 1 . 2]" 1
368 1 26 CYS H 1 38 LEU MD1 . . 3.540 2.898 2.668 3.109 . 0 0 "[ . 1 . 2]" 1
369 1 26 CYS H 1 54 CYS HB3 . . 5.010 4.780 4.463 5.035 0.025 15 0 "[ . 1 . 2]" 1
370 1 26 CYS HA 1 27 GLN H . . 2.950 2.491 2.444 2.548 . 0 0 "[ . 1 . 2]" 1
371 1 26 CYS HA 1 28 LYS H . . 5.060 5.016 4.939 5.074 0.014 15 0 "[ . 1 . 2]" 1
372 1 26 CYS HA 1 38 LEU MD1 . . 5.220 4.715 4.474 4.893 . 0 0 "[ . 1 . 2]" 1
373 1 26 CYS HB2 1 27 GLN H . . 4.030 3.908 3.836 3.968 . 0 0 "[ . 1 . 2]" 1
374 1 26 CYS HB2 1 28 LYS H . . 5.170 5.059 4.966 5.151 . 0 0 "[ . 1 . 2]" 1
375 1 26 CYS HB2 1 38 LEU MD1 . . 3.110 2.994 2.647 3.113 0.003 15 0 "[ . 1 . 2]" 1
376 1 26 CYS HB3 1 27 GLN H . . 3.520 2.860 2.702 2.970 . 0 0 "[ . 1 . 2]" 1
377 1 26 CYS HB3 1 28 LYS H . . 3.790 3.319 3.219 3.430 . 0 0 "[ . 1 . 2]" 1
378 1 26 CYS HB3 1 38 LEU MD1 . . 3.410 2.939 2.690 3.120 . 0 0 "[ . 1 . 2]" 1
379 1 27 GLN H 1 27 GLN HB2 . . 3.720 2.665 2.608 2.701 . 0 0 "[ . 1 . 2]" 1
380 1 27 GLN H 1 27 GLN QB . . 3.120 2.596 2.549 2.625 . 0 0 "[ . 1 . 2]" 1
381 1 27 GLN H 1 27 GLN HB3 . . 3.720 3.583 3.577 3.596 . 0 0 "[ . 1 . 2]" 1
382 1 27 GLN H 1 27 GLN QG . . 3.830 2.001 1.938 2.098 . 0 0 "[ . 1 . 2]" 1
383 1 27 GLN H 1 28 LYS H . . 3.160 2.971 2.832 3.019 . 0 0 "[ . 1 . 2]" 1
384 1 27 GLN HA 1 27 GLN QG . . 3.240 3.009 2.449 3.160 . 0 0 "[ . 1 . 2]" 1
385 1 27 GLN QB 1 28 LYS HA . . 4.700 4.240 4.202 4.266 . 0 0 "[ . 1 . 2]" 1
386 1 27 GLN QB 1 28 LYS QE . . 4.400 3.291 2.636 3.661 . 0 0 "[ . 1 . 2]" 1
387 1 27 GLN QB 1 28 LYS QG . . 3.620 2.966 2.524 3.615 . 0 0 "[ . 1 . 2]" 1
388 1 27 GLN HB2 1 28 LYS H . . 3.710 2.063 2.029 2.103 . 0 0 "[ . 1 . 2]" 1
389 1 27 GLN HB3 1 28 LYS H . . 3.710 3.313 3.272 3.388 . 0 0 "[ . 1 . 2]" 1
390 1 27 GLN QG 1 28 LYS H . . 4.210 3.666 3.615 3.747 . 0 0 "[ . 1 . 2]" 1
391 1 28 LYS H 1 28 LYS HB2 . . 3.450 2.863 2.723 2.966 . 0 0 "[ . 1 . 2]" 1
392 1 28 LYS H 1 28 LYS HB3 . . 3.980 3.884 3.741 3.946 . 0 0 "[ . 1 . 2]" 1
393 1 28 LYS H 1 28 LYS QD . . 5.340 4.765 4.166 5.226 . 0 0 "[ . 1 . 2]" 1
394 1 28 LYS H 1 28 LYS HE2 . . 5.500 5.042 3.842 5.514 0.014 15 0 "[ . 1 . 2]" 1
395 1 28 LYS H 1 28 LYS HE3 . . 5.500 5.223 4.561 5.500 0.000 16 0 "[ . 1 . 2]" 1
396 1 28 LYS H 1 28 LYS QG . . 3.780 3.272 2.942 3.652 . 0 0 "[ . 1 . 2]" 1
397 1 28 LYS H 1 38 LEU MD1 . . 5.500 4.708 4.462 5.041 . 0 0 "[ . 1 . 2]" 1
398 1 28 LYS HA 1 28 LYS HD2 . . 4.710 4.447 4.250 4.600 . 0 0 "[ . 1 . 2]" 1
399 1 28 LYS HA 1 28 LYS QD . . 4.120 4.009 3.945 4.080 . 0 0 "[ . 1 . 2]" 1
400 1 28 LYS HA 1 28 LYS HD3 . . 4.710 4.576 4.342 4.710 . 0 0 "[ . 1 . 2]" 1
401 1 28 LYS HA 1 28 LYS QG . . 3.070 2.413 2.253 2.535 . 0 0 "[ . 1 . 2]" 1
402 1 28 LYS HA 1 29 GLN H . . 3.090 2.457 2.380 2.475 . 0 0 "[ . 1 . 2]" 1
403 1 28 LYS HA 1 29 GLN HB3 . . 5.500 4.456 4.308 4.581 . 0 0 "[ . 1 . 2]" 1
404 1 28 LYS HA 1 35 TRP HE3 . . 4.810 4.618 4.327 4.800 . 0 0 "[ . 1 . 2]" 1
405 1 28 LYS HA 1 37 PRO HB3 . . 4.550 4.552 4.542 4.568 0.018 15 0 "[ . 1 . 2]" 1
406 1 28 LYS HA 1 38 LEU H . . 5.020 3.990 3.786 4.229 . 0 0 "[ . 1 . 2]" 1
407 1 28 LYS HA 1 38 LEU MD1 . . 4.600 4.178 3.803 4.438 . 0 0 "[ . 1 . 2]" 1
408 1 28 LYS HA 1 38 LEU MD2 . . 5.090 4.771 4.536 5.077 . 0 0 "[ . 1 . 2]" 1
409 1 28 LYS HA 1 38 LEU HG . . 3.980 3.492 3.216 3.822 . 0 0 "[ . 1 . 2]" 1
410 1 28 LYS HB2 1 28 LYS HD2 . . 3.750 2.510 2.074 3.126 . 0 0 "[ . 1 . 2]" 1
411 1 28 LYS HB2 1 28 LYS QD . . 3.210 2.456 2.048 2.979 . 0 0 "[ . 1 . 2]" 1
412 1 28 LYS HB2 1 28 LYS HD3 . . 3.750 3.539 3.179 3.752 0.002 17 0 "[ . 1 . 2]" 1
413 1 28 LYS HB2 1 28 LYS QE . . 3.970 2.975 1.993 3.738 . 0 0 "[ . 1 . 2]" 1
414 1 28 LYS HB2 1 29 GLN H . . 3.910 3.564 3.313 3.792 . 0 0 "[ . 1 . 2]" 1
415 1 28 LYS HB2 1 35 TRP HB2 . . 5.500 5.475 5.357 5.505 0.005 16 0 "[ . 1 . 2]" 1
416 1 28 LYS HB2 1 35 TRP HB3 . . 4.210 3.796 3.636 3.939 . 0 0 "[ . 1 . 2]" 1
417 1 28 LYS HB2 1 35 TRP HE3 . . 4.100 3.215 2.822 3.803 . 0 0 "[ . 1 . 2]" 1
418 1 28 LYS HB3 1 28 LYS QE . . 4.650 3.705 2.725 4.211 . 0 0 "[ . 1 . 2]" 1
419 1 28 LYS HB3 1 29 GLN H . . 3.760 2.330 2.274 2.496 . 0 0 "[ . 1 . 2]" 1
420 1 28 LYS HB3 1 35 TRP HB2 . . 4.950 4.606 4.317 4.859 . 0 0 "[ . 1 . 2]" 1
421 1 28 LYS HB3 1 35 TRP HB3 . . 3.950 2.900 2.622 3.221 . 0 0 "[ . 1 . 2]" 1
422 1 28 LYS HB3 1 35 TRP HE3 . . 4.210 2.719 2.302 3.117 . 0 0 "[ . 1 . 2]" 1
423 1 28 LYS QD 1 35 TRP HB2 . . 4.280 3.817 3.293 4.247 . 0 0 "[ . 1 . 2]" 1
424 1 28 LYS QD 1 35 TRP HB3 . . 3.460 2.765 2.334 3.265 . 0 0 "[ . 1 . 2]" 1
425 1 28 LYS QD 1 35 TRP HE3 . . 5.250 4.033 3.640 4.401 . 0 0 "[ . 1 . 2]" 1
426 1 28 LYS HD2 1 35 TRP HB3 . . 4.090 2.961 2.351 3.882 . 0 0 "[ . 1 . 2]" 1
427 1 28 LYS HD3 1 35 TRP HB3 . . 4.090 3.759 3.225 4.092 0.002 10 0 "[ . 1 . 2]" 1
428 1 28 LYS QE 1 28 LYS QG . . 3.040 2.137 1.962 2.415 . 0 0 "[ . 1 . 2]" 1
429 1 28 LYS QG 1 29 GLN H . . 4.520 3.722 3.238 4.046 . 0 0 "[ . 1 . 2]" 1
430 1 28 LYS QG 1 37 PRO HA . . 3.610 2.805 2.125 3.328 . 0 0 "[ . 1 . 2]" 1
431 1 28 LYS QG 1 37 PRO HB3 . . 4.430 3.588 3.176 3.943 . 0 0 "[ . 1 . 2]" 1
432 1 29 GLN H 1 29 GLN HB3 . . 3.790 2.828 2.741 2.878 . 0 0 "[ . 1 . 2]" 1
433 1 29 GLN H 1 30 TYR H . . 4.420 4.356 4.281 4.423 0.003 8 0 "[ . 1 . 2]" 1
434 1 29 GLN H 1 35 TRP HB3 . . 4.800 4.227 3.789 4.609 . 0 0 "[ . 1 . 2]" 1
435 1 29 GLN H 1 35 TRP HE3 . . 4.460 3.042 2.780 3.347 . 0 0 "[ . 1 . 2]" 1
436 1 29 GLN H 1 37 PRO HA . . 4.090 3.860 3.701 4.074 . 0 0 "[ . 1 . 2]" 1
437 1 29 GLN H 1 38 LEU MD1 . . 5.500 4.261 3.933 4.518 . 0 0 "[ . 1 . 2]" 1
438 1 29 GLN H 1 38 LEU MD2 . . 4.630 4.343 4.076 4.632 0.002 6 0 "[ . 1 . 2]" 1
439 1 29 GLN H 1 38 LEU HG . . 4.270 3.751 3.540 4.007 . 0 0 "[ . 1 . 2]" 1
440 1 29 GLN HA 1 29 GLN HG2 . . 3.850 3.494 3.319 3.596 . 0 0 "[ . 1 . 2]" 1
441 1 29 GLN HA 1 29 GLN QG . . 3.220 2.400 2.336 2.480 . 0 0 "[ . 1 . 2]" 1
442 1 29 GLN HA 1 29 GLN HG3 . . 3.850 2.445 2.381 2.530 . 0 0 "[ . 1 . 2]" 1
443 1 29 GLN HA 1 30 TYR H . . 3.050 2.263 2.190 2.327 . 0 0 "[ . 1 . 2]" 1
444 1 29 GLN HA 1 30 TYR HB2 . . 4.450 4.286 4.267 4.317 . 0 0 "[ . 1 . 2]" 1
445 1 29 GLN HB2 1 30 TYR H . . 4.100 3.972 3.915 4.097 . 0 0 "[ . 1 . 2]" 1
446 1 29 GLN HB2 1 38 LEU MD1 . . 3.770 2.040 1.964 2.473 . 0 0 "[ . 1 . 2]" 1
447 1 29 GLN HB3 1 30 TYR H . . 4.310 3.903 3.698 4.079 . 0 0 "[ . 1 . 2]" 1
448 1 29 GLN HB3 1 31 LEU MD1 . . 4.490 2.298 1.961 2.609 . 0 0 "[ . 1 . 2]" 1
449 1 29 GLN HB3 1 31 LEU QD . . 3.600 2.288 1.958 2.589 . 0 0 "[ . 1 . 2]" 1
450 1 29 GLN HB3 1 31 LEU MD2 . . 4.490 4.338 4.123 4.491 0.001 13 0 "[ . 1 . 2]" 1
451 1 29 GLN HB3 1 31 LEU HG . . 4.170 3.459 3.060 4.136 . 0 0 "[ . 1 . 2]" 1
452 1 29 GLN HB3 1 38 LEU MD1 . . 3.600 2.965 2.583 3.245 . 0 0 "[ . 1 . 2]" 1
453 1 29 GLN HB3 1 38 LEU MD2 . . 4.400 2.685 2.542 2.934 . 0 0 "[ . 1 . 2]" 1
454 1 29 GLN QE 1 31 LEU QD . . 3.320 3.086 2.634 3.294 . 0 0 "[ . 1 . 2]" 1
455 1 29 GLN HE21 1 31 LEU MD1 . . 4.670 4.130 3.305 4.538 . 0 0 "[ . 1 . 2]" 1
456 1 29 GLN HE21 1 31 LEU MD2 . . 4.670 3.476 2.789 4.038 . 0 0 "[ . 1 . 2]" 1
457 1 29 GLN HE22 1 31 LEU MD1 . . 4.670 4.541 3.869 4.675 0.005 16 0 "[ . 1 . 2]" 1
458 1 29 GLN HE22 1 31 LEU MD2 . . 4.670 4.155 3.629 4.624 . 0 0 "[ . 1 . 2]" 1
459 1 29 GLN QG 1 31 LEU HG . . 3.530 2.088 1.985 2.596 . 0 0 "[ . 1 . 2]" 1
460 1 29 GLN QG 1 38 LEU MD1 . . 4.200 3.676 3.545 3.781 . 0 0 "[ . 1 . 2]" 1
461 1 29 GLN HG2 1 30 TYR H . . 3.590 3.056 2.584 3.470 . 0 0 "[ . 1 . 2]" 1
462 1 29 GLN HG2 1 31 LEU HG . . 4.260 2.101 1.999 2.618 . 0 0 "[ . 1 . 2]" 1
463 1 29 GLN HG3 1 30 TYR H . . 3.590 2.125 1.950 2.401 . 0 0 "[ . 1 . 2]" 1
464 1 29 GLN HG3 1 31 LEU HG . . 4.260 3.671 3.292 4.262 0.002 1 0 "[ . 1 . 2]" 1
465 1 30 TYR H 1 30 TYR HB2 . . 3.260 2.465 2.342 2.552 . 0 0 "[ . 1 . 2]" 1
466 1 30 TYR H 1 30 TYR HB3 . . 3.170 2.721 2.677 2.774 . 0 0 "[ . 1 . 2]" 1
467 1 30 TYR H 1 30 TYR QD . . 4.280 4.163 4.083 4.215 . 0 0 "[ . 1 . 2]" 1
468 1 30 TYR H 1 35 TRP HH2 . . 4.350 4.294 4.154 4.351 0.001 5 0 "[ . 1 . 2]" 1
469 1 30 TYR H 1 35 TRP HZ3 . . 3.660 3.024 2.614 3.514 . 0 0 "[ . 1 . 2]" 1
470 1 30 TYR HA 1 30 TYR HD1 . . 3.420 2.115 2.043 2.231 . 0 0 "[ . 1 . 2]" 1
471 1 30 TYR HA 1 31 LEU H . . 2.840 2.206 2.142 2.252 . 0 0 "[ . 1 . 2]" 1
472 1 30 TYR HA 1 31 LEU HB2 . . 4.960 4.666 4.562 4.804 . 0 0 "[ . 1 . 2]" 1
473 1 30 TYR HA 1 34 LYS H . . 4.690 3.873 3.675 4.042 . 0 0 "[ . 1 . 2]" 1
474 1 30 TYR HA 1 35 TRP H . . 5.090 4.423 4.097 4.759 . 0 0 "[ . 1 . 2]" 1
475 1 30 TYR HA 1 36 ARG H . . 3.880 3.563 3.233 3.880 0.000 3 0 "[ . 1 . 2]" 1
476 1 30 TYR HB2 1 30 TYR HD1 . . 3.540 2.853 2.785 2.897 . 0 0 "[ . 1 . 2]" 1
477 1 30 TYR HB2 1 31 LEU H . . 4.750 4.584 4.489 4.630 . 0 0 "[ . 1 . 2]" 1
478 1 30 TYR HB3 1 31 LEU H . . 4.460 4.328 4.188 4.382 . 0 0 "[ . 1 . 2]" 1
479 1 30 TYR QD 1 34 LYS HA . . 3.860 3.720 3.560 3.853 . 0 0 "[ . 1 . 2]" 1
480 1 30 TYR QD 1 35 TRP HD1 . . 4.740 3.742 3.052 4.252 . 0 0 "[ . 1 . 2]" 1
481 1 30 TYR HD1 1 31 LEU H . . 3.970 3.802 3.470 3.957 . 0 0 "[ . 1 . 2]" 1
482 1 30 TYR HD1 1 34 LYS H . . 4.880 3.802 3.659 3.955 . 0 0 "[ . 1 . 2]" 1
483 1 30 TYR HD1 1 35 TRP H . . 4.100 3.572 2.974 4.101 0.001 8 0 "[ . 1 . 2]" 1
484 1 30 TYR HD1 1 35 TRP HA . . 4.030 2.985 2.498 3.266 . 0 0 "[ . 1 . 2]" 1
485 1 30 TYR HD1 1 35 TRP HE1 . . 4.050 3.768 3.142 4.052 0.002 8 0 "[ . 1 . 2]" 1
486 1 30 TYR HD1 1 36 ARG H . . 5.120 4.871 4.470 5.121 0.001 1 0 "[ . 1 . 2]" 1
487 1 30 TYR QE 1 34 LYS HA . . 3.550 2.761 2.370 3.053 . 0 0 "[ . 1 . 2]" 1
488 1 30 TYR QE 1 35 TRP H . . 4.780 3.731 2.973 4.298 . 0 0 "[ . 1 . 2]" 1
489 1 30 TYR HE1 1 33 TYR H . . 5.410 5.346 5.142 5.415 0.005 15 0 "[ . 1 . 2]" 1
490 1 30 TYR HE1 1 33 TYR HA . . 3.970 3.708 3.508 3.832 . 0 0 "[ . 1 . 2]" 1
491 1 30 TYR HE1 1 34 LYS HA . . 3.910 2.765 2.371 3.058 . 0 0 "[ . 1 . 2]" 1
492 1 30 TYR HE1 1 35 TRP H . . 4.420 3.740 2.975 4.312 . 0 0 "[ . 1 . 2]" 1
493 1 30 TYR HE1 1 35 TRP HE1 . . 4.140 3.842 3.250 4.103 . 0 0 "[ . 1 . 2]" 1
494 1 31 LEU H 1 31 LEU HB2 . . 3.420 2.590 2.378 2.732 . 0 0 "[ . 1 . 2]" 1
495 1 31 LEU H 1 31 LEU HB3 . . 3.930 3.745 3.596 3.830 . 0 0 "[ . 1 . 2]" 1
496 1 31 LEU H 1 31 LEU MD1 . . 4.760 3.588 2.854 3.953 . 0 0 "[ . 1 . 2]" 1
497 1 31 LEU H 1 31 LEU QD . . 3.940 3.407 2.825 3.660 . 0 0 "[ . 1 . 2]" 1
498 1 31 LEU H 1 31 LEU MD2 . . 4.760 4.334 4.208 4.541 . 0 0 "[ . 1 . 2]" 1
499 1 31 LEU H 1 31 LEU HG . . 4.210 3.276 3.026 3.755 . 0 0 "[ . 1 . 2]" 1
500 1 31 LEU H 1 32 TRP H . . 4.630 4.387 4.299 4.454 . 0 0 "[ . 1 . 2]" 1
501 1 31 LEU H 1 34 LYS H . . 3.560 3.099 2.901 3.273 . 0 0 "[ . 1 . 2]" 1
502 1 31 LEU H 1 35 TRP HA . . 3.860 3.216 2.992 3.399 . 0 0 "[ . 1 . 2]" 1
503 1 31 LEU H 1 36 ARG H . . 4.030 3.092 2.856 3.267 . 0 0 "[ . 1 . 2]" 1
504 1 31 LEU H 1 36 ARG QD . . 4.540 4.225 3.861 4.378 . 0 0 "[ . 1 . 2]" 1
505 1 31 LEU H 1 36 ARG HE . . 4.640 4.499 3.814 4.644 0.004 10 0 "[ . 1 . 2]" 1
506 1 31 LEU H 1 36 ARG HG2 . . 4.800 4.497 2.832 4.808 0.008 10 0 "[ . 1 . 2]" 1
507 1 31 LEU H 1 36 ARG QG . . 4.050 3.007 2.741 3.103 . 0 0 "[ . 1 . 2]" 1
508 1 31 LEU H 1 36 ARG HG3 . . 4.800 3.193 2.948 3.933 . 0 0 "[ . 1 . 2]" 1
509 1 31 LEU HA 1 31 LEU MD1 . . 3.960 3.838 3.473 3.922 . 0 0 "[ . 1 . 2]" 1
510 1 31 LEU HA 1 31 LEU QD . . 3.140 2.600 2.363 2.971 . 0 0 "[ . 1 . 2]" 1
511 1 31 LEU HA 1 31 LEU MD2 . . 3.960 2.665 2.383 3.206 . 0 0 "[ . 1 . 2]" 1
512 1 31 LEU HA 1 31 LEU HG . . 3.930 2.687 2.271 2.813 . 0 0 "[ . 1 . 2]" 1
513 1 31 LEU HA 1 32 TRP H . . 2.910 2.185 2.169 2.214 . 0 0 "[ . 1 . 2]" 1
514 1 31 LEU HA 1 32 TRP HA . . 4.530 4.385 4.371 4.403 . 0 0 "[ . 1 . 2]" 1
515 1 31 LEU HA 1 33 TYR H . . 4.140 3.674 3.536 3.924 . 0 0 "[ . 1 . 2]" 1
516 1 31 LEU HA 1 34 LYS H . . 5.140 4.182 4.138 4.221 . 0 0 "[ . 1 . 2]" 1
517 1 31 LEU HB2 1 31 LEU MD1 . . 3.580 2.107 1.973 2.182 . 0 0 "[ . 1 . 2]" 1
518 1 31 LEU HB2 1 31 LEU QD . . 3.030 2.072 1.952 2.141 . 0 0 "[ . 1 . 2]" 1
519 1 31 LEU HB2 1 31 LEU MD2 . . 3.580 3.079 2.881 3.144 . 0 0 "[ . 1 . 2]" 1
520 1 31 LEU HB2 1 32 TRP H . . 4.610 4.129 3.990 4.283 . 0 0 "[ . 1 . 2]" 1
521 1 31 LEU HB2 1 36 ARG HD2 . . 4.560 2.431 2.081 2.605 . 0 0 "[ . 1 . 2]" 1
522 1 31 LEU HB2 1 36 ARG QD . . 3.730 2.414 2.069 2.584 . 0 0 "[ . 1 . 2]" 1
523 1 31 LEU HB2 1 36 ARG HD3 . . 4.560 4.100 3.618 4.311 . 0 0 "[ . 1 . 2]" 1
524 1 31 LEU HB3 1 31 LEU MD1 . . 3.390 2.688 2.541 3.004 . 0 0 "[ . 1 . 2]" 1
525 1 31 LEU HB3 1 31 LEU MD2 . . 3.390 2.050 1.976 2.197 . 0 0 "[ . 1 . 2]" 1
526 1 31 LEU HB3 1 32 TRP H . . 3.910 3.080 2.943 3.201 . 0 0 "[ . 1 . 2]" 1
527 1 31 LEU HB3 1 36 ARG QD . . 3.860 3.234 2.528 3.553 . 0 0 "[ . 1 . 2]" 1
528 1 31 LEU QD 1 32 TRP H . . 3.830 3.544 3.271 3.754 . 0 0 "[ . 1 . 2]" 1
529 1 31 LEU QD 1 36 ARG HB2 . . 4.080 2.895 2.498 4.071 . 0 0 "[ . 1 . 2]" 1
530 1 31 LEU QD 1 36 ARG HB3 . . 4.600 4.142 3.976 4.572 . 0 0 "[ . 1 . 2]" 1
531 1 31 LEU QD 1 36 ARG QD . . 3.240 2.926 2.406 3.159 . 0 0 "[ . 1 . 2]" 1
532 1 31 LEU QD 1 36 ARG QG . . 4.110 3.392 1.937 3.803 . 0 0 "[ . 1 . 2]" 1
533 1 31 LEU QD 1 37 PRO HD2 . . 5.440 5.264 5.108 5.416 . 0 0 "[ . 1 . 2]" 1
534 1 31 LEU QD 1 38 LEU MD2 . . 3.170 2.329 2.045 2.468 . 0 0 "[ . 1 . 2]" 1
535 1 31 LEU QD 1 56 ASP HA . . 4.550 3.240 2.938 3.640 . 0 0 "[ . 1 . 2]" 1
536 1 31 LEU QD 1 56 ASP QB . . 3.450 1.927 1.813 2.176 . 0 0 "[ . 1 . 2]" 1
537 1 31 LEU MD1 1 32 TRP H . . 5.330 5.093 5.033 5.156 . 0 0 "[ . 1 . 2]" 1
538 1 31 LEU MD1 1 36 ARG HB2 . . 5.500 2.919 2.504 4.194 . 0 0 "[ . 1 . 2]" 1
539 1 31 LEU MD1 1 38 LEU MD2 . . 4.080 2.350 2.069 2.493 . 0 0 "[ . 1 . 2]" 1
540 1 31 LEU MD1 1 56 ASP HB2 . . 5.870 2.713 2.122 3.854 . 0 0 "[ . 1 . 2]" 1
541 1 31 LEU MD1 1 56 ASP HB3 . . 5.870 2.136 1.901 3.123 . 0 0 "[ . 1 . 2]" 1
542 1 31 LEU MD2 1 32 TRP H . . 5.330 3.618 3.313 3.869 . 0 0 "[ . 1 . 2]" 1
543 1 31 LEU MD2 1 36 ARG HB2 . . 5.500 5.237 4.993 5.514 0.014 15 0 "[ . 1 . 2]" 1
544 1 31 LEU MD2 1 38 LEU MD2 . . 4.080 3.828 3.219 4.024 . 0 0 "[ . 1 . 2]" 1
545 1 31 LEU MD2 1 56 ASP HB2 . . 5.870 4.332 3.493 4.947 . 0 0 "[ . 1 . 2]" 1
546 1 31 LEU MD2 1 56 ASP HB3 . . 5.870 3.225 2.074 3.750 . 0 0 "[ . 1 . 2]" 1
547 1 31 LEU HG 1 32 TRP H . . 4.810 4.683 4.110 4.812 0.002 8 0 "[ . 1 . 2]" 1
548 1 31 LEU HG 1 36 ARG QD . . 4.930 4.813 4.343 4.935 0.005 12 0 "[ . 1 . 2]" 1
549 1 32 TRP H 1 32 TRP HD1 . . 4.010 2.713 2.280 4.011 0.001 12 0 "[ . 1 . 2]" 1
550 1 32 TRP H 1 33 TYR H . . 3.410 2.730 2.668 2.838 . 0 0 "[ . 1 . 2]" 1
551 1 32 TRP HA 1 32 TRP HD1 . . 3.430 3.048 2.580 3.429 . 0 0 "[ . 1 . 2]" 1
552 1 32 TRP HA 1 33 TYR H . . 3.050 2.812 2.689 2.865 . 0 0 "[ . 1 . 2]" 1
553 1 32 TRP HA 1 34 LYS H . . 4.620 4.542 4.340 4.619 . 0 0 "[ . 1 . 2]" 1
554 1 32 TRP QB 1 32 TRP HD1 . . 3.330 2.931 2.821 3.103 . 0 0 "[ . 1 . 2]" 1
555 1 32 TRP QB 1 32 TRP HE3 . . 3.320 2.395 2.376 2.471 . 0 0 "[ . 1 . 2]" 1
556 1 32 TRP HB2 1 32 TRP HE3 . . 3.950 3.736 3.448 3.894 . 0 0 "[ . 1 . 2]" 1
557 1 32 TRP HB2 1 34 LYS H . . 4.910 4.207 3.890 4.887 . 0 0 "[ . 1 . 2]" 1
558 1 32 TRP HB3 1 32 TRP HE3 . . 3.950 2.426 2.399 2.532 . 0 0 "[ . 1 . 2]" 1
559 1 32 TRP HB3 1 34 LYS H . . 4.910 4.610 3.850 4.867 . 0 0 "[ . 1 . 2]" 1
560 1 33 TYR H 1 33 TYR HA . . 2.750 2.274 2.273 2.279 . 0 0 "[ . 1 . 2]" 1
561 1 33 TYR H 1 33 TYR QB . . 3.520 3.296 2.865 3.412 . 0 0 "[ . 1 . 2]" 1
562 1 33 TYR H 1 33 TYR HD1 . . 3.640 3.206 2.386 3.634 . 0 0 "[ . 1 . 2]" 1
563 1 33 TYR H 1 34 LYS H . . 3.470 2.674 2.619 2.776 . 0 0 "[ . 1 . 2]" 1
564 1 33 TYR HA 1 33 TYR HD1 . . 3.760 2.908 2.266 3.725 . 0 0 "[ . 1 . 2]" 1
565 1 33 TYR HA 1 34 LYS H . . 3.510 2.874 2.822 2.980 . 0 0 "[ . 1 . 2]" 1
566 1 33 TYR QB 1 33 TYR HD1 . . 3.210 2.620 2.449 2.720 . 0 0 "[ . 1 . 2]" 1
567 1 33 TYR QB 1 33 TYR HE1 . . 4.560 4.517 4.441 4.560 0.000 15 0 "[ . 1 . 2]" 1
568 1 34 LYS H 1 34 LYS HB2 . . 3.860 2.933 2.698 3.120 . 0 0 "[ . 1 . 2]" 1
569 1 34 LYS H 1 34 LYS QB . . 3.120 2.774 2.637 2.831 . 0 0 "[ . 1 . 2]" 1
570 1 34 LYS H 1 34 LYS HB3 . . 3.860 3.537 3.232 3.820 . 0 0 "[ . 1 . 2]" 1
571 1 34 LYS H 1 34 LYS QE . . 5.340 4.941 4.318 5.343 0.003 10 0 "[ . 1 . 2]" 1
572 1 34 LYS H 1 34 LYS QG . . 4.400 3.993 3.655 4.369 . 0 0 "[ . 1 . 2]" 1
573 1 34 LYS H 1 35 TRP H . . 4.450 4.280 4.154 4.401 . 0 0 "[ . 1 . 2]" 1
574 1 34 LYS H 1 36 ARG HE . . 4.800 4.420 4.115 4.637 . 0 0 "[ . 1 . 2]" 1
575 1 34 LYS HA 1 34 LYS QD . . 4.910 3.439 2.308 4.083 . 0 0 "[ . 1 . 2]" 1
576 1 34 LYS HA 1 34 LYS QG . . 3.230 2.257 2.112 2.428 . 0 0 "[ . 1 . 2]" 1
577 1 34 LYS HA 1 35 TRP H . . 2.800 2.258 2.161 2.461 . 0 0 "[ . 1 . 2]" 1
578 1 34 LYS HA 1 35 TRP HB2 . . 4.630 4.541 4.492 4.592 . 0 0 "[ . 1 . 2]" 1
579 1 34 LYS QB 1 35 TRP H . . 3.320 3.107 2.384 3.331 0.011 16 0 "[ . 1 . 2]" 1
580 1 34 LYS QB 1 36 ARG HE . . 3.960 2.829 2.254 3.322 . 0 0 "[ . 1 . 2]" 1
581 1 34 LYS HB2 1 36 ARG HE . . 4.510 3.356 2.377 4.229 . 0 0 "[ . 1 . 2]" 1
582 1 34 LYS HB3 1 36 ARG HE . . 4.510 3.262 2.319 4.245 . 0 0 "[ . 1 . 2]" 1
583 1 34 LYS QG 1 35 TRP H . . 3.810 3.089 2.134 3.808 . 0 0 "[ . 1 . 2]" 1
584 1 35 TRP H 1 35 TRP HB2 . . 3.050 2.357 2.300 2.414 . 0 0 "[ . 1 . 2]" 1
585 1 35 TRP H 1 35 TRP HB3 . . 3.690 3.590 3.567 3.618 . 0 0 "[ . 1 . 2]" 1
586 1 35 TRP H 1 35 TRP HD1 . . 3.530 2.964 2.570 3.425 . 0 0 "[ . 1 . 2]" 1
587 1 35 TRP H 1 36 ARG H . . 4.520 4.321 4.248 4.353 . 0 0 "[ . 1 . 2]" 1
588 1 35 TRP HA 1 35 TRP HE3 . . 3.700 2.824 2.491 3.227 . 0 0 "[ . 1 . 2]" 1
589 1 35 TRP HA 1 36 ARG H . . 2.860 2.159 2.154 2.160 . 0 0 "[ . 1 . 2]" 1
590 1 35 TRP HA 1 36 ARG QG . . 3.910 3.631 3.525 3.667 . 0 0 "[ . 1 . 2]" 1
591 1 35 TRP HB2 1 35 TRP HD1 . . 3.480 2.598 2.555 2.673 . 0 0 "[ . 1 . 2]" 1
592 1 35 TRP HB2 1 35 TRP HE1 . . 4.880 4.767 4.753 4.793 . 0 0 "[ . 1 . 2]" 1
593 1 35 TRP HB2 1 36 ARG H . . 4.560 4.471 4.438 4.500 . 0 0 "[ . 1 . 2]" 1
594 1 35 TRP HB3 1 35 TRP HE3 . . 3.780 2.717 2.562 2.864 . 0 0 "[ . 1 . 2]" 1
595 1 35 TRP HB3 1 36 ARG H . . 3.890 3.733 3.694 3.746 . 0 0 "[ . 1 . 2]" 1
596 1 35 TRP HE3 1 36 ARG H . . 4.340 3.877 3.508 4.292 . 0 0 "[ . 1 . 2]" 1
597 1 36 ARG H 1 36 ARG HB2 . . 3.800 2.928 2.778 3.714 . 0 0 "[ . 1 . 2]" 1
598 1 36 ARG H 1 36 ARG HB3 . . 3.780 3.723 3.358 3.792 0.012 7 0 "[ . 1 . 2]" 1
599 1 36 ARG H 1 36 ARG QD . . 4.640 4.148 4.077 4.216 . 0 0 "[ . 1 . 2]" 1
600 1 36 ARG H 1 36 ARG HG2 . . 4.130 3.309 2.127 3.596 . 0 0 "[ . 1 . 2]" 1
601 1 36 ARG H 1 36 ARG QG . . 3.470 2.387 2.053 2.474 . 0 0 "[ . 1 . 2]" 1
602 1 36 ARG H 1 36 ARG HG3 . . 4.130 2.527 2.451 2.796 . 0 0 "[ . 1 . 2]" 1
603 1 36 ARG H 1 37 PRO HA . . 5.300 5.266 5.193 5.299 . 0 0 "[ . 1 . 2]" 1
604 1 36 ARG HA 1 36 ARG HG2 . . 3.950 2.855 2.693 3.622 . 0 0 "[ . 1 . 2]" 1
605 1 36 ARG HA 1 36 ARG QG . . 3.370 2.714 2.595 3.312 . 0 0 "[ . 1 . 2]" 1
606 1 36 ARG HA 1 36 ARG HG3 . . 3.950 3.425 3.300 3.835 . 0 0 "[ . 1 . 2]" 1
607 1 36 ARG HA 1 37 PRO HB3 . . 4.990 4.848 4.846 4.861 . 0 0 "[ . 1 . 2]" 1
608 1 36 ARG HA 1 37 PRO HD2 . . 2.960 2.414 2.401 2.475 . 0 0 "[ . 1 . 2]" 1
609 1 36 ARG HA 1 37 PRO HD3 . . 3.000 2.304 2.299 2.330 . 0 0 "[ . 1 . 2]" 1
610 1 36 ARG HA 1 37 PRO HG3 . . 4.550 4.479 4.472 4.518 . 0 0 "[ . 1 . 2]" 1
611 1 36 ARG HB2 1 36 ARG HD2 . . 3.950 2.727 2.496 3.555 . 0 0 "[ . 1 . 2]" 1
612 1 36 ARG HB2 1 36 ARG HD3 . . 3.950 2.903 2.355 3.093 . 0 0 "[ . 1 . 2]" 1
613 1 36 ARG HB2 1 37 PRO HD2 . . 3.980 3.132 1.981 3.338 . 0 0 "[ . 1 . 2]" 1
614 1 36 ARG HB2 1 37 PRO HD3 . . 4.470 4.330 3.434 4.490 0.020 2 0 "[ . 1 . 2]" 1
615 1 36 ARG HB2 1 56 ASP HA . . 4.400 4.272 3.886 4.403 0.003 17 0 "[ . 1 . 2]" 1
616 1 36 ARG HB2 1 56 ASP QB . . 4.180 3.371 2.791 3.634 . 0 0 "[ . 1 . 2]" 1
617 1 36 ARG HB3 1 36 ARG HD2 . . 3.820 3.197 3.008 3.724 . 0 0 "[ . 1 . 2]" 1
618 1 36 ARG HB3 1 36 ARG HD3 . . 3.820 2.440 2.366 2.671 . 0 0 "[ . 1 . 2]" 1
619 1 36 ARG HB3 1 37 PRO HD2 . . 4.130 2.108 1.957 2.990 . 0 0 "[ . 1 . 2]" 1
620 1 36 ARG HB3 1 56 ASP HA . . 5.500 4.949 4.504 5.551 0.051 15 0 "[ . 1 . 2]" 1
621 1 36 ARG HB3 1 56 ASP QB . . 5.180 3.988 3.197 4.366 . 0 0 "[ . 1 . 2]" 1
622 1 36 ARG HE 1 36 ARG QG . . 3.680 2.568 2.142 2.858 . 0 0 "[ . 1 . 2]" 1
623 1 37 PRO HA 1 38 LEU H . . 2.610 2.474 2.473 2.478 . 0 0 "[ . 1 . 2]" 1
624 1 37 PRO HA 1 38 LEU MD2 . . 4.940 4.446 4.319 4.555 . 0 0 "[ . 1 . 2]" 1
625 1 37 PRO HA 1 57 VAL MG2 . . 5.440 4.585 4.320 4.988 . 0 0 "[ . 1 . 2]" 1
626 1 37 PRO HB2 1 38 LEU H . . 3.960 2.435 2.426 2.437 . 0 0 "[ . 1 . 2]" 1
627 1 37 PRO HB2 1 57 VAL MG2 . . 3.300 2.819 2.520 3.108 . 0 0 "[ . 1 . 2]" 1
628 1 37 PRO HB3 1 38 LEU H . . 3.890 3.366 3.362 3.367 . 0 0 "[ . 1 . 2]" 1
629 1 37 PRO HB3 1 57 VAL MG2 . . 4.470 4.018 3.751 4.252 . 0 0 "[ . 1 . 2]" 1
630 1 37 PRO HD2 1 38 LEU H . . 5.500 5.524 5.521 5.525 0.025 13 0 "[ . 1 . 2]" 1
631 1 37 PRO HD2 1 38 LEU MD2 . . 5.500 5.478 5.391 5.502 0.002 8 0 "[ . 1 . 2]" 1
632 1 37 PRO HD2 1 57 VAL MG2 . . 4.440 3.674 3.358 3.979 . 0 0 "[ . 1 . 2]" 1
633 1 37 PRO HD3 1 38 LEU H . . 5.500 5.497 5.494 5.498 . 0 0 "[ . 1 . 2]" 1
634 1 37 PRO HG2 1 38 LEU H . . 4.380 4.282 4.275 4.284 . 0 0 "[ . 1 . 2]" 1
635 1 37 PRO HG2 1 56 ASP HA . . 5.500 4.962 4.432 5.242 . 0 0 "[ . 1 . 2]" 1
636 1 37 PRO HG2 1 57 VAL H . . 3.930 3.308 2.902 3.671 . 0 0 "[ . 1 . 2]" 1
637 1 37 PRO HG2 1 57 VAL MG2 . . 3.210 1.984 1.908 2.125 . 0 0 "[ . 1 . 2]" 1
638 1 37 PRO HG3 1 38 LEU H . . 5.500 4.956 4.949 4.958 . 0 0 "[ . 1 . 2]" 1
639 1 37 PRO HG3 1 57 VAL MG2 . . 3.320 3.156 2.910 3.324 0.004 13 0 "[ . 1 . 2]" 1
640 1 38 LEU H 1 38 LEU HB2 . . 3.130 2.652 2.618 2.746 . 0 0 "[ . 1 . 2]" 1
641 1 38 LEU H 1 38 LEU MD1 . . 4.540 4.298 4.164 4.350 . 0 0 "[ . 1 . 2]" 1
642 1 38 LEU H 1 38 LEU MD2 . . 3.970 3.919 3.848 3.970 . 0 0 "[ . 1 . 2]" 1
643 1 38 LEU H 1 38 LEU HG . . 3.450 3.316 3.138 3.407 . 0 0 "[ . 1 . 2]" 1
644 1 38 LEU H 1 39 ASP H . . 4.600 4.415 4.395 4.444 . 0 0 "[ . 1 . 2]" 1
645 1 38 LEU HA 1 38 LEU MD1 . . 4.310 3.832 3.816 3.897 . 0 0 "[ . 1 . 2]" 1
646 1 38 LEU HA 1 38 LEU MD2 . . 3.090 2.096 2.055 2.203 . 0 0 "[ . 1 . 2]" 1
647 1 38 LEU HA 1 38 LEU HG . . 4.080 3.097 3.061 3.142 . 0 0 "[ . 1 . 2]" 1
648 1 38 LEU HA 1 39 ASP H . . 2.770 2.266 2.243 2.367 . 0 0 "[ . 1 . 2]" 1
649 1 38 LEU HA 1 39 ASP QB . . 4.620 3.950 3.901 4.022 . 0 0 "[ . 1 . 2]" 1
650 1 38 LEU HA 1 55 ARG H . . 4.310 3.982 3.517 4.320 0.010 16 0 "[ . 1 . 2]" 1
651 1 38 LEU HA 1 56 ASP HA . . 3.250 3.098 2.424 3.255 0.005 12 0 "[ . 1 . 2]" 1
652 1 38 LEU HA 1 57 VAL H . . 3.870 3.641 3.209 3.853 . 0 0 "[ . 1 . 2]" 1
653 1 38 LEU HA 1 57 VAL MG2 . . 4.020 3.359 3.068 3.856 . 0 0 "[ . 1 . 2]" 1
654 1 38 LEU HB2 1 38 LEU MD2 . . 3.320 3.187 3.176 3.192 . 0 0 "[ . 1 . 2]" 1
655 1 38 LEU HB2 1 39 ASP H . . 4.050 3.950 3.713 4.018 . 0 0 "[ . 1 . 2]" 1
656 1 38 LEU HB3 1 38 LEU MD2 . . 3.270 2.326 2.264 2.358 . 0 0 "[ . 1 . 2]" 1
657 1 38 LEU HB3 1 39 ASP H . . 3.290 2.778 2.493 2.850 . 0 0 "[ . 1 . 2]" 1
658 1 38 LEU MD1 1 39 ASP H . . 5.500 4.603 4.414 4.768 . 0 0 "[ . 1 . 2]" 1
659 1 38 LEU MD1 1 54 CYS HB2 . . 3.800 3.502 3.033 3.794 . 0 0 "[ . 1 . 2]" 1
660 1 38 LEU MD1 1 54 CYS HB3 . . 3.770 2.711 2.333 2.933 . 0 0 "[ . 1 . 2]" 1
661 1 38 LEU MD2 1 39 ASP H . . 3.290 3.159 3.037 3.301 0.011 15 0 "[ . 1 . 2]" 1
662 1 38 LEU MD2 1 54 CYS HB2 . . 4.460 4.102 3.757 4.440 . 0 0 "[ . 1 . 2]" 1
663 1 38 LEU MD2 1 55 ARG H . . 4.030 3.493 3.169 3.900 . 0 0 "[ . 1 . 2]" 1
664 1 38 LEU MD2 1 56 ASP H . . 3.840 3.675 3.257 3.841 0.001 5 0 "[ . 1 . 2]" 1
665 1 38 LEU MD2 1 56 ASP HA . . 3.040 2.577 2.324 2.770 . 0 0 "[ . 1 . 2]" 1
666 1 38 LEU MD2 1 56 ASP HB2 . . 4.250 4.025 3.505 4.260 0.010 15 0 "[ . 1 . 2]" 1
667 1 38 LEU MD2 1 56 ASP QB . . 3.730 3.279 2.744 3.501 . 0 0 "[ . 1 . 2]" 1
668 1 38 LEU MD2 1 56 ASP HB3 . . 4.250 3.479 2.866 3.756 . 0 0 "[ . 1 . 2]" 1
669 1 38 LEU MD2 1 57 VAL H . . 4.580 3.947 3.685 4.232 . 0 0 "[ . 1 . 2]" 1
670 1 38 LEU HG 1 39 ASP H . . 5.140 4.959 4.866 5.015 . 0 0 "[ . 1 . 2]" 1
671 1 39 ASP H 1 39 ASP HB2 . . 4.130 3.273 2.720 3.526 . 0 0 "[ . 1 . 2]" 1
672 1 39 ASP H 1 39 ASP QB . . 3.360 2.730 2.648 2.845 . 0 0 "[ . 1 . 2]" 1
673 1 39 ASP H 1 39 ASP HB3 . . 4.130 2.968 2.745 3.717 . 0 0 "[ . 1 . 2]" 1
674 1 39 ASP H 1 40 CYS H . . 4.500 4.236 4.013 4.396 . 0 0 "[ . 1 . 2]" 1
675 1 39 ASP H 1 54 CYS HA . . 4.270 3.503 3.084 3.871 . 0 0 "[ . 1 . 2]" 1
676 1 39 ASP H 1 55 ARG H . . 3.370 2.282 1.898 2.634 . 0 0 "[ . 1 . 2]" 1
677 1 39 ASP H 1 55 ARG HB2 . . 4.490 4.142 3.793 4.494 0.004 16 0 "[ . 1 . 2]" 1
678 1 39 ASP H 1 56 ASP HA . . 4.430 4.280 3.973 4.436 0.006 3 0 "[ . 1 . 2]" 1
679 1 39 ASP H 1 57 VAL H . . 4.950 4.715 4.523 4.952 0.002 3 0 "[ . 1 . 2]" 1
680 1 39 ASP H 1 57 VAL MG1 . . 4.050 3.241 2.775 3.844 . 0 0 "[ . 1 . 2]" 1
681 1 39 ASP H 1 57 VAL MG2 . . 4.330 3.812 3.266 4.290 . 0 0 "[ . 1 . 2]" 1
682 1 39 ASP HA 1 40 CYS H . . 3.220 2.186 2.140 2.303 . 0 0 "[ . 1 . 2]" 1
683 1 39 ASP HA 1 55 ARG H . . 4.670 4.345 4.059 4.693 0.023 16 0 "[ . 1 . 2]" 1
684 1 39 ASP QB 1 55 ARG H . . 4.540 3.912 3.678 4.205 . 0 0 "[ . 1 . 2]" 1
685 1 39 ASP QB 1 57 VAL MG1 . . 3.130 1.984 1.810 2.503 . 0 0 "[ . 1 . 2]" 1
686 1 39 ASP HB2 1 40 CYS H . . 4.320 4.175 3.879 4.323 0.003 11 0 "[ . 1 . 2]" 1
687 1 39 ASP HB2 1 57 VAL MG1 . . 3.620 2.623 1.924 3.548 . 0 0 "[ . 1 . 2]" 1
688 1 39 ASP HB2 1 57 VAL MG2 . . 3.610 2.703 2.096 3.537 . 0 0 "[ . 1 . 2]" 1
689 1 39 ASP HB3 1 40 CYS H . . 4.320 4.003 3.196 4.294 . 0 0 "[ . 1 . 2]" 1
690 1 39 ASP HB3 1 57 VAL MG1 . . 3.620 2.106 1.906 2.940 . 0 0 "[ . 1 . 2]" 1
691 1 39 ASP HB3 1 57 VAL MG2 . . 3.610 3.280 2.842 3.610 0.000 13 0 "[ . 1 . 2]" 1
692 1 40 CYS H 1 40 CYS HB2 . . 3.610 2.302 2.131 2.645 . 0 0 "[ . 1 . 2]" 1
693 1 40 CYS H 1 40 CYS QB . . 2.940 2.271 2.112 2.581 . 0 0 "[ . 1 . 2]" 1
694 1 40 CYS H 1 40 CYS HB3 . . 3.610 3.504 2.991 3.613 0.003 17 0 "[ . 1 . 2]" 1
695 1 40 CYS HA 1 41 ARG H . . 3.130 2.182 2.140 2.273 . 0 0 "[ . 1 . 2]" 1
696 1 40 CYS HA 1 54 CYS HA . . 4.140 2.340 2.062 2.684 . 0 0 "[ . 1 . 2]" 1
697 1 40 CYS QB 1 41 ARG H . . 3.990 3.600 3.309 3.950 . 0 0 "[ . 1 . 2]" 1
698 1 40 CYS HB2 1 41 ARG H . . 4.690 4.491 4.296 4.662 . 0 0 "[ . 1 . 2]" 1
699 1 40 CYS HB3 1 41 ARG H . . 4.690 3.796 3.418 4.266 . 0 0 "[ . 1 . 2]" 1
700 1 41 ARG H 1 41 ARG HB2 . . 3.810 2.440 2.222 3.062 . 0 0 "[ . 1 . 2]" 1
701 1 41 ARG H 1 41 ARG QB . . 3.250 2.367 2.198 2.615 . 0 0 "[ . 1 . 2]" 1
702 1 41 ARG H 1 41 ARG HB3 . . 3.810 3.500 2.414 3.735 . 0 0 "[ . 1 . 2]" 1
703 1 41 ARG H 1 41 ARG HD2 . . 5.500 5.154 4.680 5.501 0.001 14 0 "[ . 1 . 2]" 1
704 1 41 ARG H 1 41 ARG QD . . 4.650 4.457 4.335 4.603 . 0 0 "[ . 1 . 2]" 1
705 1 41 ARG H 1 41 ARG HD3 . . 5.500 4.957 4.565 5.501 0.001 11 0 "[ . 1 . 2]" 1
706 1 41 ARG H 1 41 ARG HG2 . . 4.630 3.523 3.088 4.694 0.064 16 0 "[ . 1 . 2]" 1
707 1 41 ARG H 1 41 ARG HG3 . . 4.630 4.245 3.867 4.603 . 0 0 "[ . 1 . 2]" 1
708 1 41 ARG H 1 53 VAL MG2 . . 4.500 3.905 3.520 4.168 . 0 0 "[ . 1 . 2]" 1
709 1 41 ARG H 1 54 CYS HA . . 3.830 3.488 3.049 3.836 0.006 13 0 "[ . 1 . 2]" 1
710 1 41 ARG H 1 55 ARG H . . 3.920 3.691 2.842 3.931 0.011 15 0 "[ . 1 . 2]" 1
711 1 41 ARG H 1 55 ARG QG . . 5.020 3.131 2.708 3.635 . 0 0 "[ . 1 . 2]" 1
712 1 41 ARG HA 1 41 ARG HD2 . . 3.860 3.070 2.268 3.814 . 0 0 "[ . 1 . 2]" 1
713 1 41 ARG HA 1 41 ARG QD . . 3.340 2.301 1.988 2.678 . 0 0 "[ . 1 . 2]" 1
714 1 41 ARG HA 1 41 ARG HD3 . . 3.860 2.580 2.000 3.467 . 0 0 "[ . 1 . 2]" 1
715 1 41 ARG HA 1 41 ARG QG . . 3.710 2.539 2.297 3.074 . 0 0 "[ . 1 . 2]" 1
716 1 41 ARG HA 1 42 CYS H . . 3.390 2.239 2.178 2.330 . 0 0 "[ . 1 . 2]" 1
717 1 41 ARG QB 1 42 CYS H . . 3.520 2.949 2.570 3.564 0.044 16 0 "[ . 1 . 2]" 1
718 1 41 ARG QB 1 43 LEU QD . . 4.110 2.445 1.932 3.498 . 0 0 "[ . 1 . 2]" 1
719 1 41 ARG QB 1 55 ARG QG . . 5.180 2.426 1.913 3.293 . 0 0 "[ . 1 . 2]" 1
720 1 41 ARG HB2 1 42 CYS H . . 4.350 4.143 3.840 4.339 . 0 0 "[ . 1 . 2]" 1
721 1 41 ARG HB3 1 42 CYS H . . 4.350 3.038 2.611 4.084 . 0 0 "[ . 1 . 2]" 1
722 1 41 ARG QD 1 42 CYS H . . 3.800 2.784 1.908 3.369 . 0 0 "[ . 1 . 2]" 1
723 1 41 ARG QD 1 43 LEU QD . . 4.000 3.693 2.146 4.000 . 0 0 "[ . 1 . 2]" 1
724 1 41 ARG QG 1 42 CYS H . . 4.350 4.043 2.713 4.338 . 0 0 "[ . 1 . 2]" 1
725 1 41 ARG QG 1 43 LEU QD . . 4.040 3.599 2.491 4.035 . 0 0 "[ . 1 . 2]" 1
726 1 41 ARG HG2 1 42 CYS H . . 5.030 4.397 3.447 4.749 . 0 0 "[ . 1 . 2]" 1
727 1 41 ARG HG2 1 55 ARG H . . 5.500 5.040 4.304 5.509 0.009 12 0 "[ . 1 . 2]" 1
728 1 41 ARG HG3 1 42 CYS H . . 5.030 4.817 2.755 5.030 . 0 0 "[ . 1 . 2]" 1
729 1 41 ARG HG3 1 55 ARG H . . 5.500 5.320 4.944 5.538 0.038 16 0 "[ . 1 . 2]" 1
730 1 42 CYS H 1 42 CYS HB2 . . 3.220 2.591 2.199 2.704 . 0 0 "[ . 1 . 2]" 1
731 1 42 CYS H 1 42 CYS HB3 . . 3.790 3.700 3.468 3.782 . 0 0 "[ . 1 . 2]" 1
732 1 42 CYS H 1 52 CYS HA . . 4.680 4.332 3.746 4.569 . 0 0 "[ . 1 . 2]" 1
733 1 42 CYS HA 1 43 LEU H . . 2.850 2.181 2.139 2.218 . 0 0 "[ . 1 . 2]" 1
734 1 42 CYS HA 1 43 LEU QD . . 4.400 4.103 3.316 4.394 . 0 0 "[ . 1 . 2]" 1
735 1 42 CYS HA 1 52 CYS H . . 4.640 4.379 3.889 4.611 . 0 0 "[ . 1 . 2]" 1
736 1 42 CYS HA 1 52 CYS HA . . 2.870 2.173 1.997 2.309 . 0 0 "[ . 1 . 2]" 1
737 1 42 CYS HA 1 52 CYS HB2 . . 4.880 4.692 4.448 4.877 . 0 0 "[ . 1 . 2]" 1
738 1 42 CYS HA 1 52 CYS HB3 . . 4.030 3.759 3.418 4.040 0.010 13 0 "[ . 1 . 2]" 1
739 1 42 CYS HA 1 53 VAL H . . 3.730 3.636 3.282 3.740 0.010 14 0 "[ . 1 . 2]" 1
740 1 42 CYS HA 1 53 VAL MG2 . . 4.930 4.566 4.116 4.893 . 0 0 "[ . 1 . 2]" 1
741 1 42 CYS HB2 1 43 LEU H . . 4.650 4.383 4.198 4.610 . 0 0 "[ . 1 . 2]" 1
742 1 42 CYS HB2 1 52 CYS HA . . 4.850 4.719 4.256 4.851 0.001 17 0 "[ . 1 . 2]" 1
743 1 42 CYS HB3 1 43 LEU H . . 3.970 3.814 3.494 3.981 0.011 13 0 "[ . 1 . 2]" 1
744 1 42 CYS HB3 1 43 LEU HA . . 4.930 4.672 4.328 4.951 0.021 17 0 "[ . 1 . 2]" 1
745 1 42 CYS HB3 1 50 SER QB . . 4.380 3.714 2.125 4.378 . 0 0 "[ . 1 . 2]" 1
746 1 42 CYS HB3 1 51 LYS H . . 5.500 5.141 4.550 5.497 . 0 0 "[ . 1 . 2]" 1
747 1 43 LEU H 1 43 LEU HB2 . . 3.970 3.670 2.103 3.917 . 0 0 "[ . 1 . 2]" 1
748 1 43 LEU H 1 43 LEU QB . . 3.360 3.064 2.083 3.240 . 0 0 "[ . 1 . 2]" 1
749 1 43 LEU H 1 43 LEU HB3 . . 3.970 3.381 3.126 3.516 . 0 0 "[ . 1 . 2]" 1
750 1 43 LEU H 1 43 LEU MD1 . . 4.490 3.533 2.664 4.283 . 0 0 "[ . 1 . 2]" 1
751 1 43 LEU H 1 43 LEU QD . . 3.780 2.878 2.259 3.159 . 0 0 "[ . 1 . 2]" 1
752 1 43 LEU H 1 43 LEU MD2 . . 4.490 3.388 2.269 3.992 . 0 0 "[ . 1 . 2]" 1
753 1 43 LEU H 1 43 LEU HG . . 4.130 2.556 2.023 4.196 0.066 17 0 "[ . 1 . 2]" 1
754 1 43 LEU H 1 50 SER QB . . 4.360 3.925 3.192 4.361 0.001 11 0 "[ . 1 . 2]" 1
755 1 43 LEU H 1 52 CYS HA . . 3.800 3.637 3.216 3.824 0.024 14 0 "[ . 1 . 2]" 1
756 1 43 LEU H 1 53 VAL MG2 . . 5.250 4.276 3.696 4.611 . 0 0 "[ . 1 . 2]" 1
757 1 43 LEU HA 1 43 LEU MD1 . . 4.110 3.631 2.410 4.072 . 0 0 "[ . 1 . 2]" 1
758 1 43 LEU HA 1 43 LEU QD . . 3.500 3.251 1.895 3.438 . 0 0 "[ . 1 . 2]" 1
759 1 43 LEU HA 1 43 LEU MD2 . . 4.110 3.731 1.977 4.071 . 0 0 "[ . 1 . 2]" 1
760 1 43 LEU HA 1 44 LYS H . . 2.630 2.270 2.140 2.366 . 0 0 "[ . 1 . 2]" 1
761 1 43 LEU HA 1 44 LYS QG . . 5.340 4.114 3.587 5.109 . 0 0 "[ . 1 . 2]" 1
762 1 43 LEU HA 1 50 SER QB . . 4.290 3.686 2.810 4.299 0.009 17 0 "[ . 1 . 2]" 1
763 1 43 LEU QB 1 44 LYS H . . 4.050 2.774 2.462 3.268 . 0 0 "[ . 1 . 2]" 1
764 1 43 LEU QD 1 44 LYS H . . 3.990 3.451 2.298 4.000 0.010 14 0 "[ . 1 . 2]" 1
765 1 43 LEU QD 1 44 LYS HA . . 4.200 3.592 3.028 4.227 0.027 17 0 "[ . 1 . 2]" 1
766 1 43 LEU QD 1 45 SER H . . 5.440 4.624 3.751 5.442 0.002 9 0 "[ . 1 . 2]" 1
767 1 43 LEU QD 1 53 VAL H . . 4.770 4.536 3.734 4.780 0.010 14 0 "[ . 1 . 2]" 1
768 1 44 LYS H 1 44 LYS HB2 . . 4.000 3.576 2.429 3.961 . 0 0 "[ . 1 . 2]" 1
769 1 44 LYS H 1 44 LYS QB . . 3.170 2.948 2.396 3.170 . 0 0 "[ . 1 . 2]" 1
770 1 44 LYS H 1 44 LYS HB3 . . 4.000 3.345 2.923 3.832 . 0 0 "[ . 1 . 2]" 1
771 1 44 LYS H 1 44 LYS HD2 . . 5.500 3.883 1.931 5.502 0.002 4 0 "[ . 1 . 2]" 1
772 1 44 LYS H 1 44 LYS HD3 . . 5.500 4.256 1.958 5.509 0.009 15 0 "[ . 1 . 2]" 1
773 1 44 LYS H 1 44 LYS QE . . 5.340 4.354 2.412 5.345 0.005 15 0 "[ . 1 . 2]" 1
774 1 44 LYS H 1 44 LYS HG2 . . 4.550 3.488 2.596 3.804 . 0 0 "[ . 1 . 2]" 1
775 1 44 LYS H 1 44 LYS QG . . 3.890 2.754 1.943 3.539 . 0 0 "[ . 1 . 2]" 1
776 1 44 LYS H 1 44 LYS HG3 . . 4.550 3.244 1.956 4.589 0.039 14 0 "[ . 1 . 2]" 1
777 1 44 LYS HA 1 44 LYS HD2 . . 5.500 3.833 1.995 5.450 . 0 0 "[ . 1 . 2]" 1
778 1 44 LYS HA 1 44 LYS HD3 . . 5.500 4.101 1.998 5.052 . 0 0 "[ . 1 . 2]" 1
779 1 44 LYS HA 1 45 SER H . . 2.630 2.268 2.148 2.567 . 0 0 "[ . 1 . 2]" 1
780 1 44 LYS HA 1 50 SER QB . . 3.970 3.906 3.350 3.979 0.009 15 0 "[ . 1 . 2]" 1
781 1 44 LYS QB 1 45 SER H . . 3.610 2.802 2.142 3.238 . 0 0 "[ . 1 . 2]" 1
782 1 44 LYS QB 1 50 SER HA . . 4.360 2.380 1.984 4.172 . 0 0 "[ . 1 . 2]" 1
783 1 44 LYS HB2 1 45 SER H . . 4.350 3.151 2.157 4.308 . 0 0 "[ . 1 . 2]" 1
784 1 44 LYS HB3 1 45 SER H . . 4.350 3.737 2.686 4.248 . 0 0 "[ . 1 . 2]" 1
785 1 44 LYS QD 1 45 SER H . . 4.550 3.790 2.994 4.569 0.019 9 0 "[ . 1 . 2]" 1
786 1 45 SER H 1 45 SER HB2 . . 3.930 3.005 2.460 3.684 . 0 0 "[ . 1 . 2]" 1
787 1 45 SER H 1 45 SER QB . . 3.420 2.604 2.369 3.116 . 0 0 "[ . 1 . 2]" 1
788 1 45 SER H 1 45 SER HB3 . . 3.930 3.091 2.429 3.813 . 0 0 "[ . 1 . 2]" 1
789 1 45 SER HA 1 46 GLY H . . 2.930 2.261 2.142 2.298 . 0 0 "[ . 1 . 2]" 1
790 1 45 SER QB 1 46 GLY H . . 4.050 3.867 3.336 4.046 . 0 0 "[ . 1 . 2]" 1
791 1 46 GLY QA 1 47 PHE H . . 2.960 2.798 2.700 2.890 . 0 0 "[ . 1 . 2]" 1
792 1 46 GLY HA2 1 47 PHE H . . 3.560 3.250 2.989 3.544 . 0 0 "[ . 1 . 2]" 1
793 1 46 GLY HA3 1 47 PHE H . . 3.560 3.189 2.800 3.478 . 0 0 "[ . 1 . 2]" 1
794 1 47 PHE H 1 47 PHE HB2 . . 3.650 2.385 2.241 2.650 . 0 0 "[ . 1 . 2]" 1
795 1 47 PHE H 1 47 PHE QB . . 3.080 2.334 2.177 2.585 . 0 0 "[ . 1 . 2]" 1
796 1 47 PHE H 1 47 PHE HB3 . . 3.650 3.435 2.796 3.649 . 0 0 "[ . 1 . 2]" 1
797 1 47 PHE H 1 47 PHE HD1 . . 4.660 4.116 2.858 4.658 . 0 0 "[ . 1 . 2]" 1
798 1 47 PHE HA 1 47 PHE HD1 . . 3.600 2.533 2.048 3.599 . 0 0 "[ . 1 . 2]" 1
799 1 47 PHE HA 1 48 PHE H . . 3.350 2.424 2.243 2.648 . 0 0 "[ . 1 . 2]" 1
800 1 47 PHE QB 1 48 PHE H . . 3.430 2.535 1.938 3.118 . 0 0 "[ . 1 . 2]" 1
801 1 47 PHE QB 1 49 SER H . . 4.990 2.946 2.260 3.978 . 0 0 "[ . 1 . 2]" 1
802 1 47 PHE HB2 1 48 PHE H . . 4.030 3.757 3.209 4.031 0.001 15 0 "[ . 1 . 2]" 1
803 1 47 PHE HB3 1 48 PHE H . . 4.030 2.587 1.954 3.255 . 0 0 "[ . 1 . 2]" 1
804 1 48 PHE H 1 48 PHE HB2 . . 3.810 2.563 2.181 3.653 . 0 0 "[ . 1 . 2]" 1
805 1 48 PHE H 1 48 PHE QB . . 3.030 2.404 2.160 2.964 . 0 0 "[ . 1 . 2]" 1
806 1 48 PHE H 1 48 PHE HB3 . . 3.810 3.476 2.584 3.710 . 0 0 "[ . 1 . 2]" 1
807 1 48 PHE H 1 48 PHE QD . . 3.810 2.681 2.137 3.445 . 0 0 "[ . 1 . 2]" 1
808 1 48 PHE H 1 49 SER H . . 3.140 2.422 2.038 2.740 . 0 0 "[ . 1 . 2]" 1
809 1 48 PHE QB 1 49 SER H . . 3.550 2.695 2.231 3.479 . 0 0 "[ . 1 . 2]" 1
810 1 48 PHE HB2 1 49 SER H . . 4.080 2.816 2.267 3.817 . 0 0 "[ . 1 . 2]" 1
811 1 48 PHE HB3 1 49 SER H . . 4.080 3.553 2.965 4.091 0.011 16 0 "[ . 1 . 2]" 1
812 1 49 SER H 1 49 SER HB2 . . 3.850 2.758 2.311 3.766 . 0 0 "[ . 1 . 2]" 1
813 1 49 SER H 1 49 SER QB . . 3.070 2.494 2.282 2.892 . 0 0 "[ . 1 . 2]" 1
814 1 49 SER H 1 49 SER HB3 . . 3.850 3.225 2.429 3.858 0.008 7 0 "[ . 1 . 2]" 1
815 1 49 SER H 1 50 SER H . . 4.320 4.242 4.002 4.374 0.054 13 0 "[ . 1 . 2]" 1
816 1 49 SER HA 1 50 SER H . . 2.650 2.269 2.137 2.686 0.036 13 0 "[ . 1 . 2]" 1
817 1 50 SER HA 1 51 LYS H . . 3.210 2.211 2.138 2.421 . 0 0 "[ . 1 . 2]" 1
818 1 50 SER HB2 1 51 LYS H . . 5.500 3.193 2.555 3.714 . 0 0 "[ . 1 . 2]" 1
819 1 50 SER HB3 1 51 LYS H . . 5.500 4.028 2.596 4.374 . 0 0 "[ . 1 . 2]" 1
820 1 51 LYS H 1 51 LYS QB . . 3.520 2.562 2.246 3.050 . 0 0 "[ . 1 . 2]" 1
821 1 51 LYS H 1 51 LYS QD . . 5.040 4.475 3.782 5.010 . 0 0 "[ . 1 . 2]" 1
822 1 51 LYS H 1 51 LYS QE . . 5.340 4.829 4.093 5.360 0.020 14 0 "[ . 1 . 2]" 1
823 1 51 LYS H 1 51 LYS HG2 . . 5.500 3.745 2.226 4.796 . 0 0 "[ . 1 . 2]" 1
824 1 51 LYS H 1 51 LYS HG3 . . 5.500 4.170 3.028 4.701 . 0 0 "[ . 1 . 2]" 1
825 1 51 LYS H 1 52 CYS H . . 4.540 4.480 4.339 4.564 0.024 15 0 "[ . 1 . 2]" 1
826 1 51 LYS HA 1 52 CYS H . . 2.630 2.242 2.149 2.287 . 0 0 "[ . 1 . 2]" 1
827 1 51 LYS QB 1 53 VAL MG1 . . 3.700 3.440 3.152 3.665 . 0 0 "[ . 1 . 2]" 1
828 1 51 LYS HB2 1 52 CYS H . . 5.500 3.614 2.756 4.257 . 0 0 "[ . 1 . 2]" 1
829 1 51 LYS HB3 1 52 CYS H . . 5.500 4.017 3.873 4.222 . 0 0 "[ . 1 . 2]" 1
830 1 51 LYS QD 1 52 CYS H . . 5.100 4.298 2.261 5.137 0.037 17 0 "[ . 1 . 2]" 1
831 1 51 LYS QD 1 53 VAL MG1 . . 4.100 3.102 2.222 4.011 . 0 0 "[ . 1 . 2]" 1
832 1 51 LYS QE 1 51 LYS QG . . 3.250 2.239 2.056 2.458 . 0 0 "[ . 1 . 2]" 1
833 1 51 LYS QE 1 53 VAL MG1 . . 4.080 3.337 1.905 4.103 0.023 14 0 "[ . 1 . 2]" 1
834 1 51 LYS QG 1 52 CYS H . . 3.700 2.801 2.063 3.698 . 0 0 "[ . 1 . 2]" 1
835 1 51 LYS HG2 1 53 VAL MG1 . . 3.920 2.934 2.070 3.924 0.004 17 0 "[ . 1 . 2]" 1
836 1 51 LYS HG3 1 53 VAL MG1 . . 3.920 3.021 1.968 3.913 . 0 0 "[ . 1 . 2]" 1
837 1 52 CYS H 1 52 CYS HB2 . . 3.390 2.598 2.492 2.654 . 0 0 "[ . 1 . 2]" 1
838 1 52 CYS H 1 52 CYS HB3 . . 3.710 3.676 3.640 3.713 0.003 16 0 "[ . 1 . 2]" 1
839 1 52 CYS H 1 53 VAL MG1 . . 4.030 3.998 3.886 4.033 0.003 12 0 "[ . 1 . 2]" 1
840 1 52 CYS HA 1 53 VAL H . . 2.900 2.147 2.144 2.156 . 0 0 "[ . 1 . 2]" 1
841 1 52 CYS HA 1 53 VAL MG2 . . 3.840 3.642 3.460 3.813 . 0 0 "[ . 1 . 2]" 1
842 1 52 CYS HB2 1 53 VAL H . . 4.330 4.148 4.082 4.204 . 0 0 "[ . 1 . 2]" 1
843 1 52 CYS HB3 1 53 VAL H . . 3.780 3.342 3.258 3.384 . 0 0 "[ . 1 . 2]" 1
844 1 53 VAL H 1 53 VAL HB . . 4.120 3.875 3.846 3.909 . 0 0 "[ . 1 . 2]" 1
845 1 53 VAL H 1 53 VAL MG1 . . 3.820 3.226 3.029 3.336 . 0 0 "[ . 1 . 2]" 1
846 1 53 VAL H 1 53 VAL MG2 . . 3.390 2.315 2.152 2.391 . 0 0 "[ . 1 . 2]" 1
847 1 53 VAL H 1 55 ARG QG . . 4.380 3.912 3.620 4.161 . 0 0 "[ . 1 . 2]" 1
848 1 53 VAL HA 1 53 VAL MG1 . . 3.230 2.199 2.124 2.325 . 0 0 "[ . 1 . 2]" 1
849 1 53 VAL HA 1 53 VAL MG2 . . 3.590 3.194 3.186 3.203 . 0 0 "[ . 1 . 2]" 1
850 1 53 VAL HA 1 54 CYS H . . 2.950 2.412 2.284 2.562 . 0 0 "[ . 1 . 2]" 1
851 1 53 VAL HB 1 54 CYS H . . 3.390 2.364 2.034 2.691 . 0 0 "[ . 1 . 2]" 1
852 1 53 VAL MG1 1 54 CYS H . . 3.840 3.576 3.401 3.777 . 0 0 "[ . 1 . 2]" 1
853 1 53 VAL MG2 1 54 CYS H . . 4.180 3.510 3.236 3.713 . 0 0 "[ . 1 . 2]" 1
854 1 53 VAL MG2 1 54 CYS HA . . 4.520 4.464 4.259 4.522 0.002 8 0 "[ . 1 . 2]" 1
855 1 53 VAL MG2 1 55 ARG HD2 . . 4.380 4.033 3.454 4.380 0.000 8 0 "[ . 1 . 2]" 1
856 1 53 VAL MG2 1 55 ARG QD . . 3.560 2.773 2.215 3.178 . 0 0 "[ . 1 . 2]" 1
857 1 53 VAL MG2 1 55 ARG HD3 . . 4.380 2.828 2.239 3.262 . 0 0 "[ . 1 . 2]" 1
858 1 53 VAL MG2 1 55 ARG QG . . 3.650 2.540 2.285 2.843 . 0 0 "[ . 1 . 2]" 1
859 1 54 CYS H 1 54 CYS HB2 . . 3.480 2.363 2.236 2.490 . 0 0 "[ . 1 . 2]" 1
860 1 54 CYS H 1 54 CYS HB3 . . 3.880 3.571 3.524 3.596 . 0 0 "[ . 1 . 2]" 1
861 1 54 CYS H 1 55 ARG H . . 4.830 4.553 4.388 4.621 . 0 0 "[ . 1 . 2]" 1
862 1 54 CYS HA 1 55 ARG H . . 2.890 2.173 2.139 2.222 . 0 0 "[ . 1 . 2]" 1
863 1 54 CYS HA 1 55 ARG HB2 . . 4.790 4.485 4.377 4.628 . 0 0 "[ . 1 . 2]" 1
864 1 54 CYS HB2 1 55 ARG H . . 4.540 4.241 4.084 4.449 . 0 0 "[ . 1 . 2]" 1
865 1 54 CYS HB3 1 55 ARG H . . 3.700 3.227 2.953 3.681 . 0 0 "[ . 1 . 2]" 1
866 1 55 ARG H 1 55 ARG HB2 . . 4.050 2.720 2.547 2.822 . 0 0 "[ . 1 . 2]" 1
867 1 55 ARG H 1 55 ARG HB3 . . 3.870 3.819 3.706 3.880 0.010 14 0 "[ . 1 . 2]" 1
868 1 55 ARG H 1 55 ARG HD2 . . 5.060 4.749 4.282 5.054 . 0 0 "[ . 1 . 2]" 1
869 1 55 ARG H 1 55 ARG QD . . 4.350 4.138 3.838 4.236 . 0 0 "[ . 1 . 2]" 1
870 1 55 ARG H 1 55 ARG HD3 . . 5.060 4.662 4.022 5.064 0.004 7 0 "[ . 1 . 2]" 1
871 1 55 ARG H 1 55 ARG HG2 . . 5.500 3.169 2.834 3.398 . 0 0 "[ . 1 . 2]" 1
872 1 55 ARG H 1 55 ARG HG3 . . 5.500 4.335 4.018 4.527 . 0 0 "[ . 1 . 2]" 1
873 1 55 ARG H 1 57 VAL MG1 . . 4.850 4.207 3.723 4.428 . 0 0 "[ . 1 . 2]" 1
874 1 55 ARG HA 1 55 ARG HD2 . . 3.610 2.418 1.997 2.983 . 0 0 "[ . 1 . 2]" 1
875 1 55 ARG HA 1 55 ARG QD . . 3.120 2.141 1.980 2.428 . 0 0 "[ . 1 . 2]" 1
876 1 55 ARG HA 1 55 ARG HD3 . . 3.610 2.809 2.156 3.516 . 0 0 "[ . 1 . 2]" 1
877 1 55 ARG HB2 1 56 ASP H . . 4.150 3.743 3.391 4.123 . 0 0 "[ . 1 . 2]" 1
878 1 55 ARG HB3 1 55 ARG HD2 . . 3.930 2.401 2.170 2.687 . 0 0 "[ . 1 . 2]" 1
879 1 55 ARG HB3 1 55 ARG QD . . 3.380 2.357 2.138 2.627 . 0 0 "[ . 1 . 2]" 1
880 1 55 ARG HB3 1 55 ARG HD3 . . 3.930 3.447 3.140 3.701 . 0 0 "[ . 1 . 2]" 1
881 1 55 ARG HB3 1 56 ASP H . . 3.220 2.561 2.249 3.017 . 0 0 "[ . 1 . 2]" 1
882 1 55 ARG QD 1 56 ASP H . . 3.460 3.264 2.725 3.462 0.002 7 0 "[ . 1 . 2]" 1
883 1 55 ARG HG2 1 56 ASP H . . 5.500 4.800 4.691 4.915 . 0 0 "[ . 1 . 2]" 1
884 1 55 ARG HG3 1 56 ASP H . . 5.500 4.875 4.687 5.144 . 0 0 "[ . 1 . 2]" 1
885 1 56 ASP H 1 56 ASP HB2 . . 3.720 3.610 3.570 3.645 . 0 0 "[ . 1 . 2]" 1
886 1 56 ASP H 1 56 ASP QB . . 3.170 2.479 2.309 2.606 . 0 0 "[ . 1 . 2]" 1
887 1 56 ASP H 1 56 ASP HB3 . . 3.720 2.526 2.339 2.670 . 0 0 "[ . 1 . 2]" 1
888 1 56 ASP H 1 57 VAL H . . 4.600 4.540 4.457 4.601 0.001 17 0 "[ . 1 . 2]" 1
889 1 56 ASP HA 1 57 VAL H . . 2.830 2.163 2.140 2.205 . 0 0 "[ . 1 . 2]" 1
890 1 56 ASP HA 1 57 VAL HA . . 4.560 4.401 4.385 4.427 . 0 0 "[ . 1 . 2]" 1
891 1 56 ASP HA 1 57 VAL MG2 . . 4.090 3.681 3.547 3.862 . 0 0 "[ . 1 . 2]" 1
892 1 56 ASP QB 1 57 VAL H . . 3.340 3.157 2.966 3.319 . 0 0 "[ . 1 . 2]" 1
893 1 57 VAL H 1 57 VAL HB . . 3.920 3.783 3.676 3.914 . 0 0 "[ . 1 . 2]" 1
894 1 57 VAL H 1 57 VAL MG1 . . 3.910 2.933 2.701 3.100 . 0 0 "[ . 1 . 2]" 1
895 1 57 VAL H 1 57 VAL MG2 . . 2.980 2.079 1.935 2.304 . 0 0 "[ . 1 . 2]" 1
896 1 57 VAL HA 1 57 VAL MG1 . . 3.200 2.263 2.159 2.356 . 0 0 "[ . 1 . 2]" 1
897 1 57 VAL HA 1 57 VAL MG2 . . 3.490 3.193 3.181 3.203 . 0 0 "[ . 1 . 2]" 1
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