NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
618113 |
5lg0   |
25249 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5lg0
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 826
_Distance_constraint_stats_list.Viol_count 870
_Distance_constraint_stats_list.Viol_total 1192.955
_Distance_constraint_stats_list.Viol_max 0.204
_Distance_constraint_stats_list.Viol_rms 0.0100
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0442
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 3 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 4 ASP 0.034 0.034 31 0 "[ . 1 . 2 . 3 ]"
1 5 GLY 0.034 0.034 31 0 "[ . 1 . 2 . 3 ]"
1 6 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 7 GLU 1.863 0.138 3 0 "[ . 1 . 2 . 3 ]"
1 8 GLY 1.863 0.138 3 0 "[ . 1 . 2 . 3 ]"
1 9 THR 0.326 0.204 1 0 "[ . 1 . 2 . 3 ]"
1 10 GLU 0.223 0.204 1 0 "[ . 1 . 2 . 3 ]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 12 ASP 0.693 0.098 6 0 "[ . 1 . 2 . 3 ]"
1 13 THR 1.966 0.202 31 0 "[ . 1 . 2 . 3 ]"
1 14 GLU 2.081 0.202 31 0 "[ . 1 . 2 . 3 ]"
1 15 GLU 0.606 0.057 2 0 "[ . 1 . 2 . 3 ]"
1 16 LYS 2.448 0.119 1 0 "[ . 1 . 2 . 3 ]"
1 17 CYS 1.802 0.132 30 0 "[ . 1 . 2 . 3 ]"
1 18 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 19 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 20 CYS 0.498 0.051 29 0 "[ . 1 . 2 . 3 ]"
1 21 LEU 1.407 0.132 30 0 "[ . 1 . 2 . 3 ]"
1 22 SER 0.205 0.033 18 0 "[ . 1 . 2 . 3 ]"
1 23 ILE 2.696 0.119 1 0 "[ . 1 . 2 . 3 ]"
1 24 LEU 0.945 0.077 31 0 "[ . 1 . 2 . 3 ]"
1 25 GLU 0.456 0.067 19 0 "[ . 1 . 2 . 3 ]"
1 26 GLU 0.409 0.067 19 0 "[ . 1 . 2 . 3 ]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 28 GLU 2.530 0.101 27 0 "[ . 1 . 2 . 3 ]"
1 29 ASP 6.189 0.130 28 0 "[ . 1 . 2 . 3 ]"
1 30 VAL 4.911 0.130 28 0 "[ . 1 . 2 . 3 ]"
1 31 ARG 3.378 0.123 25 0 "[ . 1 . 2 . 3 ]"
1 32 ARG 4.428 0.117 27 0 "[ . 1 . 2 . 3 ]"
1 33 LEU 5.959 0.143 22 0 "[ . 1 . 2 . 3 ]"
1 34 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 35 CYS 1.589 0.105 10 0 "[ . 1 . 2 . 3 ]"
1 36 MET 2.618 0.143 22 0 "[ . 1 . 2 . 3 ]"
1 37 HIS 1.209 0.107 1 0 "[ . 1 . 2 . 3 ]"
1 38 LEU 0.168 0.043 11 0 "[ . 1 . 2 . 3 ]"
1 39 PHE 0.727 0.078 1 0 "[ . 1 . 2 . 3 ]"
1 40 HIS 0.299 0.091 29 0 "[ . 1 . 2 . 3 ]"
1 41 GLN 0.753 0.067 26 0 "[ . 1 . 2 . 3 ]"
1 42 VAL 0.165 0.077 22 0 "[ . 1 . 2 . 3 ]"
1 43 CYS 0.000 0.000 6 0 "[ . 1 . 2 . 3 ]"
1 44 VAL 0.077 0.077 22 0 "[ . 1 . 2 . 3 ]"
1 45 ASP 0.042 0.034 31 0 "[ . 1 . 2 . 3 ]"
1 46 GLN 3.061 0.137 20 0 "[ . 1 . 2 . 3 ]"
1 47 ALA 0.009 0.009 1 0 "[ . 1 . 2 . 3 ]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 49 ILE 3.648 0.137 20 0 "[ . 1 . 2 . 3 ]"
1 50 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 51 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 52 LYS 0.278 0.083 3 0 "[ . 1 . 2 . 3 ]"
1 53 LYS 0.553 0.125 28 0 "[ . 1 . 2 . 3 ]"
1 54 CYS 0.457 0.115 9 0 "[ . 1 . 2 . 3 ]"
1 58 ARG 0.168 0.041 7 0 "[ . 1 . 2 . 3 ]"
1 59 VAL 2.042 0.115 9 0 "[ . 1 . 2 . 3 ]"
1 60 ASP 1.182 0.100 28 0 "[ . 1 . 2 . 3 ]"
1 61 ILE 2.844 0.125 28 0 "[ . 1 . 2 . 3 ]"
1 62 GLU 0.157 0.050 11 0 "[ . 1 . 2 . 3 ]"
1 63 ALA 0.101 0.041 27 0 "[ . 1 . 2 . 3 ]"
1 64 GLN 0.101 0.041 27 0 "[ . 1 . 2 . 3 ]"
1 65 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LYS H 1 3 GLN H . . 4.690 3.911 2.352 4.617 . 0 0 "[ . 1 . 2 . 3 ]" 1
2 1 2 LYS QB 1 3 GLN H . . 6.220 2.979 2.003 4.125 . 0 0 "[ . 1 . 2 . 3 ]" 1
3 1 4 ASP H 1 4 ASP QB . . 3.900 2.731 2.103 3.327 . 0 0 "[ . 1 . 2 . 3 ]" 1
4 1 4 ASP HA 1 5 GLY H . . 3.550 2.639 2.212 3.584 0.034 31 0 "[ . 1 . 2 . 3 ]" 1
5 1 5 GLY H 1 6 GLU H . . 4.530 3.953 2.210 4.438 . 0 0 "[ . 1 . 2 . 3 ]" 1
6 1 6 GLU H 1 6 GLU QB . . 3.870 2.788 2.491 3.309 . 0 0 "[ . 1 . 2 . 3 ]" 1
7 1 6 GLU H 1 7 GLU H . . 4.620 4.141 2.138 4.440 . 0 0 "[ . 1 . 2 . 3 ]" 1
8 1 6 GLU H 1 7 GLU QB . . 5.400 4.495 3.897 4.839 . 0 0 "[ . 1 . 2 . 3 ]" 1
9 1 6 GLU QB 1 7 GLU H . . 4.290 2.626 2.008 3.374 . 0 0 "[ . 1 . 2 . 3 ]" 1
10 1 6 GLU QB 1 7 GLU HA . . 4.920 3.963 3.740 4.311 . 0 0 "[ . 1 . 2 . 3 ]" 1
11 1 6 GLU QB 1 8 GLY H . . 5.770 4.798 2.782 5.215 . 0 0 "[ . 1 . 2 . 3 ]" 1
12 1 7 GLU H 1 8 GLY H . . 3.870 3.662 2.110 4.008 0.138 3 0 "[ . 1 . 2 . 3 ]" 1
13 1 7 GLU H 1 8 GLY QA . . 5.500 4.107 3.857 4.858 . 0 0 "[ . 1 . 2 . 3 ]" 1
14 1 7 GLU HA 1 8 GLY H . . 3.340 2.532 2.148 3.455 0.115 30 0 "[ . 1 . 2 . 3 ]" 1
15 1 8 GLY H 1 9 THR H . . 5.380 4.153 2.353 4.679 . 0 0 "[ . 1 . 2 . 3 ]" 1
16 1 8 GLY QA 1 9 THR MG . . 5.310 3.546 3.187 3.947 . 0 0 "[ . 1 . 2 . 3 ]" 1
17 1 9 THR H 1 9 THR MG . . 4.490 2.880 2.224 3.491 . 0 0 "[ . 1 . 2 . 3 ]" 1
18 1 9 THR H 1 10 GLU H . . 4.740 4.340 3.868 4.706 . 0 0 "[ . 1 . 2 . 3 ]" 1
19 1 9 THR HA 1 9 THR HB . . 2.550 2.495 2.362 2.580 0.030 31 0 "[ . 1 . 2 . 3 ]" 1
20 1 9 THR HA 1 9 THR MG . . 3.730 2.726 2.222 3.218 . 0 0 "[ . 1 . 2 . 3 ]" 1
21 1 9 THR HA 1 10 GLU H . . 3.220 2.519 2.225 3.424 0.204 1 0 "[ . 1 . 2 . 3 ]" 1
22 1 9 THR HB 1 10 GLU H . . 4.260 3.229 2.064 4.273 0.013 1 0 "[ . 1 . 2 . 3 ]" 1
23 1 9 THR MG 1 10 GLU H . . 4.980 3.581 2.306 4.181 . 0 0 "[ . 1 . 2 . 3 ]" 1
24 1 11 GLU HA 1 12 ASP H . . 2.800 2.315 2.133 2.773 . 0 0 "[ . 1 . 2 . 3 ]" 1
25 1 11 GLU HA 1 12 ASP HB2 . . 5.300 4.636 4.056 5.170 . 0 0 "[ . 1 . 2 . 3 ]" 1
26 1 11 GLU HA 1 12 ASP QB . . 4.910 4.224 3.776 4.478 . 0 0 "[ . 1 . 2 . 3 ]" 1
27 1 11 GLU HA 1 12 ASP HB3 . . 5.300 4.896 4.318 5.195 . 0 0 "[ . 1 . 2 . 3 ]" 1
28 1 12 ASP H 1 12 ASP HB2 . . 3.620 3.135 2.489 3.498 . 0 0 "[ . 1 . 2 . 3 ]" 1
29 1 12 ASP H 1 12 ASP QB . . 3.390 2.765 2.290 3.073 . 0 0 "[ . 1 . 2 . 3 ]" 1
30 1 12 ASP H 1 12 ASP HB3 . . 3.620 3.179 2.674 3.695 0.075 1 0 "[ . 1 . 2 . 3 ]" 1
31 1 12 ASP H 1 13 THR H . . 4.060 3.695 2.815 4.158 0.098 6 0 "[ . 1 . 2 . 3 ]" 1
32 1 12 ASP HA 1 13 THR H . . 2.990 2.264 2.069 2.801 . 0 0 "[ . 1 . 2 . 3 ]" 1
33 1 12 ASP HA 1 14 GLU H . . 4.570 3.546 2.878 4.004 . 0 0 "[ . 1 . 2 . 3 ]" 1
34 1 12 ASP HA 1 14 GLU QB . . 5.680 4.652 2.324 5.119 . 0 0 "[ . 1 . 2 . 3 ]" 1
35 1 12 ASP QB 1 13 THR H . . 4.470 3.800 2.871 4.042 . 0 0 "[ . 1 . 2 . 3 ]" 1
36 1 12 ASP HB2 1 13 THR H . . 4.670 4.360 3.728 4.670 . 0 0 "[ . 1 . 2 . 3 ]" 1
37 1 12 ASP HB3 1 13 THR H . . 4.670 4.192 2.986 4.461 . 0 0 "[ . 1 . 2 . 3 ]" 1
38 1 13 THR H 1 14 GLU H . . 3.400 2.150 1.877 3.161 . 0 0 "[ . 1 . 2 . 3 ]" 1
39 1 13 THR H 1 14 GLU QB . . 5.950 3.734 2.753 5.134 . 0 0 "[ . 1 . 2 . 3 ]" 1
40 1 13 THR H 1 15 GLU QG . . 6.110 5.413 4.625 5.579 . 0 0 "[ . 1 . 2 . 3 ]" 1
41 1 13 THR HA 1 14 GLU H . . 3.240 3.158 2.474 3.363 0.123 13 0 "[ . 1 . 2 . 3 ]" 1
42 1 13 THR HB 1 14 GLU H . . 4.110 4.054 3.543 4.312 0.202 31 0 "[ . 1 . 2 . 3 ]" 1
43 1 14 GLU H 1 14 GLU HB2 . . 3.590 2.386 2.152 3.018 . 0 0 "[ . 1 . 2 . 3 ]" 1
44 1 14 GLU H 1 14 GLU QB . . 3.280 2.343 2.111 2.723 . 0 0 "[ . 1 . 2 . 3 ]" 1
45 1 14 GLU H 1 14 GLU HB3 . . 3.590 3.527 3.057 3.670 0.080 5 0 "[ . 1 . 2 . 3 ]" 1
46 1 14 GLU H 1 15 GLU H . . 3.890 2.453 1.985 3.686 . 0 0 "[ . 1 . 2 . 3 ]" 1
47 1 14 GLU H 1 15 GLU QG . . 4.740 4.071 3.260 4.283 . 0 0 "[ . 1 . 2 . 3 ]" 1
48 1 14 GLU QB 1 15 GLU H . . 3.340 2.455 1.816 2.806 . 0 0 "[ . 1 . 2 . 3 ]" 1
49 1 14 GLU QB 1 15 GLU QG . . 3.840 2.782 2.078 3.075 . 0 0 "[ . 1 . 2 . 3 ]" 1
50 1 14 GLU QB 1 16 LYS H . . 6.380 5.311 4.762 5.761 . 0 0 "[ . 1 . 2 . 3 ]" 1
51 1 14 GLU HB2 1 15 GLU H . . 3.810 2.636 2.099 3.246 . 0 0 "[ . 1 . 2 . 3 ]" 1
52 1 14 GLU HB2 1 15 GLU HG2 . . 5.050 3.513 2.780 4.965 . 0 0 "[ . 1 . 2 . 3 ]" 1
53 1 14 GLU HB2 1 15 GLU HG3 . . 5.050 4.056 3.401 5.053 0.003 16 0 "[ . 1 . 2 . 3 ]" 1
54 1 14 GLU HB3 1 15 GLU H . . 3.810 3.132 1.987 3.527 . 0 0 "[ . 1 . 2 . 3 ]" 1
55 1 14 GLU HB3 1 15 GLU HG2 . . 5.050 3.391 2.163 4.427 . 0 0 "[ . 1 . 2 . 3 ]" 1
56 1 14 GLU HB3 1 15 GLU HG3 . . 5.050 4.356 2.600 5.098 0.048 25 0 "[ . 1 . 2 . 3 ]" 1
57 1 15 GLU H 1 15 GLU HG2 . . 4.110 2.691 2.222 3.318 . 0 0 "[ . 1 . 2 . 3 ]" 1
58 1 15 GLU H 1 15 GLU QG . . 3.840 2.312 2.049 2.579 . 0 0 "[ . 1 . 2 . 3 ]" 1
59 1 15 GLU H 1 15 GLU HG3 . . 4.110 2.608 2.303 3.103 . 0 0 "[ . 1 . 2 . 3 ]" 1
60 1 15 GLU H 1 16 LYS H . . 4.090 3.949 3.348 4.147 0.057 2 0 "[ . 1 . 2 . 3 ]" 1
61 1 15 GLU H 1 23 ILE MG . . 5.500 4.088 3.461 4.627 . 0 0 "[ . 1 . 2 . 3 ]" 1
62 1 15 GLU H 1 24 LEU QD . . 7.070 4.821 4.561 5.161 . 0 0 "[ . 1 . 2 . 3 ]" 1
63 1 15 GLU HA 1 15 GLU QG . . 3.850 3.006 2.206 3.397 . 0 0 "[ . 1 . 2 . 3 ]" 1
64 1 15 GLU HA 1 16 LYS H . . 2.720 2.252 2.014 2.543 . 0 0 "[ . 1 . 2 . 3 ]" 1
65 1 15 GLU HA 1 16 LYS HA . . 4.440 4.394 4.324 4.457 0.017 16 0 "[ . 1 . 2 . 3 ]" 1
66 1 15 GLU HA 1 16 LYS QB . . 5.950 4.589 4.075 5.001 . 0 0 "[ . 1 . 2 . 3 ]" 1
67 1 15 GLU HA 1 24 LEU QD . . 5.750 3.394 2.889 3.883 . 0 0 "[ . 1 . 2 . 3 ]" 1
68 1 15 GLU HA 1 38 LEU QD . . 6.990 3.471 2.347 4.448 . 0 0 "[ . 1 . 2 . 3 ]" 1
69 1 15 GLU QG 1 16 LYS H . . 5.330 4.451 4.230 4.602 . 0 0 "[ . 1 . 2 . 3 ]" 1
70 1 15 GLU QG 1 38 LEU QD . . 6.770 3.923 2.998 4.515 . 0 0 "[ . 1 . 2 . 3 ]" 1
71 1 15 GLU HG2 1 16 LYS H . . 5.500 5.132 4.466 5.521 0.021 2 0 "[ . 1 . 2 . 3 ]" 1
72 1 15 GLU HG2 1 38 LEU MD1 . . 8.640 5.415 3.448 7.203 . 0 0 "[ . 1 . 2 . 3 ]" 1
73 1 15 GLU HG2 1 38 LEU MD2 . . 8.640 4.878 3.271 6.444 . 0 0 "[ . 1 . 2 . 3 ]" 1
74 1 15 GLU HG3 1 16 LYS H . . 5.500 5.021 4.570 5.518 0.018 23 0 "[ . 1 . 2 . 3 ]" 1
75 1 15 GLU HG3 1 38 LEU MD1 . . 8.640 5.731 4.497 7.167 . 0 0 "[ . 1 . 2 . 3 ]" 1
76 1 15 GLU HG3 1 38 LEU MD2 . . 8.640 5.090 3.896 6.639 . 0 0 "[ . 1 . 2 . 3 ]" 1
77 1 16 LYS H 1 16 LYS HB2 . . 3.950 3.381 2.399 3.972 0.022 27 0 "[ . 1 . 2 . 3 ]" 1
78 1 16 LYS H 1 16 LYS QB . . 3.680 2.915 2.365 3.291 . 0 0 "[ . 1 . 2 . 3 ]" 1
79 1 16 LYS H 1 16 LYS HB3 . . 3.950 3.316 2.485 3.789 . 0 0 "[ . 1 . 2 . 3 ]" 1
80 1 16 LYS H 1 16 LYS HG2 . . 4.750 3.297 2.312 4.636 . 0 0 "[ . 1 . 2 . 3 ]" 1
81 1 16 LYS H 1 16 LYS QG . . 4.390 2.874 2.041 4.005 . 0 0 "[ . 1 . 2 . 3 ]" 1
82 1 16 LYS H 1 16 LYS HG3 . . 4.750 3.249 2.143 4.563 . 0 0 "[ . 1 . 2 . 3 ]" 1
83 1 16 LYS H 1 17 CYS H . . 5.290 4.336 4.228 4.453 . 0 0 "[ . 1 . 2 . 3 ]" 1
84 1 16 LYS H 1 24 LEU QD . . 6.850 3.544 2.996 3.973 . 0 0 "[ . 1 . 2 . 3 ]" 1
85 1 16 LYS H 1 38 LEU QD . . 7.070 4.328 2.974 5.118 . 0 0 "[ . 1 . 2 . 3 ]" 1
86 1 16 LYS HA 1 16 LYS HG2 . . 4.110 3.276 2.176 3.799 . 0 0 "[ . 1 . 2 . 3 ]" 1
87 1 16 LYS HA 1 16 LYS QG . . 3.830 2.866 2.065 3.333 . 0 0 "[ . 1 . 2 . 3 ]" 1
88 1 16 LYS HA 1 16 LYS HG3 . . 4.110 3.253 2.184 3.742 . 0 0 "[ . 1 . 2 . 3 ]" 1
89 1 16 LYS HA 1 17 CYS H . . 3.110 2.082 1.997 2.221 . 0 0 "[ . 1 . 2 . 3 ]" 1
90 1 16 LYS HA 1 17 CYS HA . . 5.230 4.497 4.378 4.584 . 0 0 "[ . 1 . 2 . 3 ]" 1
91 1 16 LYS HA 1 17 CYS HB2 . . 5.110 4.259 3.951 4.472 . 0 0 "[ . 1 . 2 . 3 ]" 1
92 1 16 LYS HA 1 17 CYS QB . . 4.860 3.834 3.684 3.998 . 0 0 "[ . 1 . 2 . 3 ]" 1
93 1 16 LYS HA 1 17 CYS HB3 . . 5.110 4.367 4.186 4.557 . 0 0 "[ . 1 . 2 . 3 ]" 1
94 1 16 LYS HA 1 23 ILE H . . 5.050 4.607 4.399 4.815 . 0 0 "[ . 1 . 2 . 3 ]" 1
95 1 16 LYS HA 1 23 ILE HA . . 3.010 2.170 2.024 2.413 . 0 0 "[ . 1 . 2 . 3 ]" 1
96 1 16 LYS HA 1 23 ILE HB . . 5.460 5.165 5.031 5.400 . 0 0 "[ . 1 . 2 . 3 ]" 1
97 1 16 LYS HA 1 23 ILE MD . . 5.390 3.307 2.443 3.999 . 0 0 "[ . 1 . 2 . 3 ]" 1
98 1 16 LYS HA 1 23 ILE MG . . 5.070 3.995 3.587 4.266 . 0 0 "[ . 1 . 2 . 3 ]" 1
99 1 16 LYS HA 1 24 LEU H . . 3.560 2.954 2.352 3.466 . 0 0 "[ . 1 . 2 . 3 ]" 1
100 1 16 LYS HA 1 24 LEU MD1 . . 4.980 3.286 2.767 3.726 . 0 0 "[ . 1 . 2 . 3 ]" 1
101 1 16 LYS HA 1 24 LEU QD . . 4.610 3.108 2.691 3.460 . 0 0 "[ . 1 . 2 . 3 ]" 1
102 1 16 LYS HA 1 24 LEU MD2 . . 4.980 3.861 3.531 4.173 . 0 0 "[ . 1 . 2 . 3 ]" 1
103 1 16 LYS HA 1 24 LEU HG . . 4.460 2.423 2.017 2.905 . 0 0 "[ . 1 . 2 . 3 ]" 1
104 1 16 LYS QB 1 21 LEU HA . . 5.010 4.080 3.652 4.503 . 0 0 "[ . 1 . 2 . 3 ]" 1
105 1 16 LYS QB 1 22 SER H . . 6.380 4.025 2.980 5.186 . 0 0 "[ . 1 . 2 . 3 ]" 1
106 1 16 LYS QB 1 23 ILE HA . . 5.520 2.697 1.998 4.055 . 0 0 "[ . 1 . 2 . 3 ]" 1
107 1 16 LYS HB2 1 17 CYS H . . 4.160 3.430 2.518 4.261 0.101 23 0 "[ . 1 . 2 . 3 ]" 1
108 1 16 LYS HB3 1 17 CYS H . . 4.160 3.728 3.030 4.196 0.036 5 0 "[ . 1 . 2 . 3 ]" 1
109 1 16 LYS QD 1 21 LEU HA . . 5.410 3.784 2.303 4.856 . 0 0 "[ . 1 . 2 . 3 ]" 1
110 1 16 LYS QE 1 21 LEU HA . . 5.920 4.599 3.244 5.297 . 0 0 "[ . 1 . 2 . 3 ]" 1
111 1 16 LYS QE 1 21 LEU QD . . 7.950 4.734 3.365 5.270 . 0 0 "[ . 1 . 2 . 3 ]" 1
112 1 16 LYS QE 1 23 ILE MD . . 5.590 2.282 1.753 3.257 . 0 0 "[ . 1 . 2 . 3 ]" 1
113 1 16 LYS QE 1 23 ILE QG . . 6.930 2.436 1.997 3.377 . 0 0 "[ . 1 . 2 . 3 ]" 1
114 1 16 LYS QE 1 23 ILE MG . . 6.180 4.453 4.060 4.634 . 0 0 "[ . 1 . 2 . 3 ]" 1
115 1 16 LYS QG 1 17 CYS H . . 5.050 3.653 2.218 4.506 . 0 0 "[ . 1 . 2 . 3 ]" 1
116 1 16 LYS QG 1 23 ILE HA . . 4.380 3.379 2.087 4.046 . 0 0 "[ . 1 . 2 . 3 ]" 1
117 1 16 LYS QG 1 23 ILE MD . . 5.740 2.945 1.936 3.830 . 0 0 "[ . 1 . 2 . 3 ]" 1
118 1 16 LYS QG 1 24 LEU QD . . 7.880 4.474 4.115 4.751 . 0 0 "[ . 1 . 2 . 3 ]" 1
119 1 16 LYS HG2 1 17 CYS H . . 5.310 4.301 2.247 5.255 . 0 0 "[ . 1 . 2 . 3 ]" 1
120 1 16 LYS HG2 1 23 ILE HA . . 4.730 3.901 2.280 4.761 0.031 27 0 "[ . 1 . 2 . 3 ]" 1
121 1 16 LYS HG3 1 17 CYS H . . 5.310 4.135 2.766 5.090 . 0 0 "[ . 1 . 2 . 3 ]" 1
122 1 16 LYS HG3 1 23 ILE HA . . 4.730 4.030 2.117 4.849 0.119 1 0 "[ . 1 . 2 . 3 ]" 1
123 1 17 CYS H 1 17 CYS HB2 . . 3.440 2.391 2.108 2.606 . 0 0 "[ . 1 . 2 . 3 ]" 1
124 1 17 CYS H 1 17 CYS HB3 . . 3.440 2.338 2.215 2.468 . 0 0 "[ . 1 . 2 . 3 ]" 1
125 1 17 CYS H 1 22 SER H . . 4.200 3.388 3.131 4.231 0.031 29 0 "[ . 1 . 2 . 3 ]" 1
126 1 17 CYS H 1 22 SER HA . . 5.500 5.035 4.760 5.154 . 0 0 "[ . 1 . 2 . 3 ]" 1
127 1 17 CYS H 1 23 ILE HA . . 4.190 3.448 3.186 3.858 . 0 0 "[ . 1 . 2 . 3 ]" 1
128 1 17 CYS H 1 24 LEU H . . 5.340 4.196 3.793 4.500 . 0 0 "[ . 1 . 2 . 3 ]" 1
129 1 17 CYS H 1 24 LEU MD1 . . 4.830 3.376 3.175 3.706 . 0 0 "[ . 1 . 2 . 3 ]" 1
130 1 17 CYS H 1 24 LEU QD . . 4.280 2.854 2.623 3.180 . 0 0 "[ . 1 . 2 . 3 ]" 1
131 1 17 CYS H 1 24 LEU MD2 . . 4.830 3.082 2.795 3.462 . 0 0 "[ . 1 . 2 . 3 ]" 1
132 1 17 CYS H 1 24 LEU HG . . 4.410 2.597 2.261 3.090 . 0 0 "[ . 1 . 2 . 3 ]" 1
133 1 17 CYS HA 1 18 THR H . . 3.420 2.288 2.184 2.469 . 0 0 "[ . 1 . 2 . 3 ]" 1
134 1 17 CYS HA 1 24 LEU QD . . 6.280 3.043 2.854 3.170 . 0 0 "[ . 1 . 2 . 3 ]" 1
135 1 17 CYS HA 1 39 PHE HA . . 4.290 2.709 2.373 3.010 . 0 0 "[ . 1 . 2 . 3 ]" 1
136 1 17 CYS QB 1 18 THR H . . 5.070 3.975 3.531 4.134 . 0 0 "[ . 1 . 2 . 3 ]" 1
137 1 17 CYS QB 1 19 ILE H . . 6.290 3.867 3.687 4.304 . 0 0 "[ . 1 . 2 . 3 ]" 1
138 1 17 CYS QB 1 21 LEU H . . 4.850 3.592 3.308 3.886 . 0 0 "[ . 1 . 2 . 3 ]" 1
139 1 17 CYS QB 1 21 LEU HA . . 5.360 4.216 3.385 4.573 . 0 0 "[ . 1 . 2 . 3 ]" 1
140 1 17 CYS QB 1 22 SER H . . 4.020 2.466 2.205 2.646 . 0 0 "[ . 1 . 2 . 3 ]" 1
141 1 17 CYS QB 1 24 LEU QD . . 4.290 2.049 1.978 2.133 . 0 0 "[ . 1 . 2 . 3 ]" 1
142 1 17 CYS QB 1 24 LEU HG . . 4.980 3.227 2.965 3.423 . 0 0 "[ . 1 . 2 . 3 ]" 1
143 1 17 CYS QB 1 39 PHE HA . . 5.760 3.867 3.336 4.384 . 0 0 "[ . 1 . 2 . 3 ]" 1
144 1 17 CYS QB 1 40 HIS H . . 5.070 3.318 2.825 3.802 . 0 0 "[ . 1 . 2 . 3 ]" 1
145 1 17 CYS HB2 1 18 THR H . . 5.500 4.573 4.161 4.753 . 0 0 "[ . 1 . 2 . 3 ]" 1
146 1 17 CYS HB2 1 20 CYS H . . 4.910 4.298 4.102 4.914 0.004 29 0 "[ . 1 . 2 . 3 ]" 1
147 1 17 CYS HB2 1 21 LEU H . . 5.290 5.255 5.026 5.422 0.132 30 0 "[ . 1 . 2 . 3 ]" 1
148 1 17 CYS HB2 1 22 SER H . . 4.240 4.101 3.668 4.273 0.033 18 0 "[ . 1 . 2 . 3 ]" 1
149 1 17 CYS HB2 1 24 LEU MD1 . . 5.370 3.423 3.205 3.645 . 0 0 "[ . 1 . 2 . 3 ]" 1
150 1 17 CYS HB2 1 24 LEU MD2 . . 5.370 2.086 2.004 2.174 . 0 0 "[ . 1 . 2 . 3 ]" 1
151 1 17 CYS HB2 1 24 LEU HG . . 5.500 3.336 3.054 3.581 . 0 0 "[ . 1 . 2 . 3 ]" 1
152 1 17 CYS HB2 1 40 HIS H . . 5.500 3.400 2.869 3.947 . 0 0 "[ . 1 . 2 . 3 ]" 1
153 1 17 CYS HB3 1 18 THR H . . 5.500 4.368 3.818 4.544 . 0 0 "[ . 1 . 2 . 3 ]" 1
154 1 17 CYS HB3 1 20 CYS H . . 4.910 3.178 2.887 3.958 . 0 0 "[ . 1 . 2 . 3 ]" 1
155 1 17 CYS HB3 1 21 LEU H . . 5.290 3.658 3.355 3.981 . 0 0 "[ . 1 . 2 . 3 ]" 1
156 1 17 CYS HB3 1 22 SER H . . 4.240 2.486 2.220 2.673 . 0 0 "[ . 1 . 2 . 3 ]" 1
157 1 17 CYS HB3 1 24 LEU MD1 . . 5.570 4.639 4.446 4.690 . 0 0 "[ . 1 . 2 . 3 ]" 1
158 1 17 CYS HB3 1 24 LEU MD2 . . 5.370 3.426 3.298 3.596 . 0 0 "[ . 1 . 2 . 3 ]" 1
159 1 17 CYS HB3 1 24 LEU HG . . 5.500 4.312 4.013 4.515 . 0 0 "[ . 1 . 2 . 3 ]" 1
160 1 17 CYS HB3 1 40 HIS H . . 5.500 4.646 4.230 5.001 . 0 0 "[ . 1 . 2 . 3 ]" 1
161 1 18 THR H 1 18 THR MG . . 3.800 2.493 1.950 3.005 . 0 0 "[ . 1 . 2 . 3 ]" 1
162 1 18 THR H 1 19 ILE H . . 4.080 2.704 2.160 2.857 . 0 0 "[ . 1 . 2 . 3 ]" 1
163 1 18 THR H 1 39 PHE HA . . 5.080 3.915 3.470 4.444 . 0 0 "[ . 1 . 2 . 3 ]" 1
164 1 18 THR HA 1 18 THR HB . . 3.010 2.566 2.383 2.729 . 0 0 "[ . 1 . 2 . 3 ]" 1
165 1 18 THR HA 1 21 LEU H . . 4.790 3.423 3.054 3.587 . 0 0 "[ . 1 . 2 . 3 ]" 1
166 1 18 THR HA 1 21 LEU QD . . 5.170 2.200 2.026 2.388 . 0 0 "[ . 1 . 2 . 3 ]" 1
167 1 18 THR MG 1 19 ILE H . . 5.140 2.684 2.479 2.923 . 0 0 "[ . 1 . 2 . 3 ]" 1
168 1 18 THR MG 1 19 ILE MD . . 4.720 3.212 2.790 3.298 . 0 0 "[ . 1 . 2 . 3 ]" 1
169 1 18 THR MG 1 37 HIS QB . . 5.720 4.162 3.653 4.272 . 0 0 "[ . 1 . 2 . 3 ]" 1
170 1 19 ILE H 1 19 ILE HB . . 3.390 2.183 2.115 2.249 . 0 0 "[ . 1 . 2 . 3 ]" 1
171 1 19 ILE H 1 19 ILE MD . . 4.600 3.054 2.716 3.372 . 0 0 "[ . 1 . 2 . 3 ]" 1
172 1 19 ILE H 1 19 ILE HG12 . . 4.170 3.901 3.744 4.008 . 0 0 "[ . 1 . 2 . 3 ]" 1
173 1 19 ILE H 1 19 ILE QG . . 3.910 2.550 2.342 2.699 . 0 0 "[ . 1 . 2 . 3 ]" 1
174 1 19 ILE H 1 19 ILE HG13 . . 4.170 2.585 2.366 2.743 . 0 0 "[ . 1 . 2 . 3 ]" 1
175 1 19 ILE H 1 19 ILE MG . . 4.270 3.631 3.600 3.656 . 0 0 "[ . 1 . 2 . 3 ]" 1
176 1 19 ILE H 1 20 CYS H . . 3.680 2.572 2.435 2.698 . 0 0 "[ . 1 . 2 . 3 ]" 1
177 1 19 ILE H 1 21 LEU H . . 4.630 3.370 3.162 3.597 . 0 0 "[ . 1 . 2 . 3 ]" 1
178 1 19 ILE H 1 39 PHE HA . . 5.480 4.882 4.386 5.400 . 0 0 "[ . 1 . 2 . 3 ]" 1
179 1 19 ILE H 1 43 CYS QB . . 5.730 4.072 3.801 4.316 . 0 0 "[ . 1 . 2 . 3 ]" 1
180 1 19 ILE HA 1 19 ILE MD . . 4.500 3.786 3.769 3.818 . 0 0 "[ . 1 . 2 . 3 ]" 1
181 1 19 ILE HA 1 19 ILE HG12 . . 3.680 2.720 2.578 2.923 . 0 0 "[ . 1 . 2 . 3 ]" 1
182 1 19 ILE HA 1 19 ILE QG . . 3.490 2.329 2.293 2.403 . 0 0 "[ . 1 . 2 . 3 ]" 1
183 1 19 ILE HA 1 19 ILE HG13 . . 3.680 2.539 2.468 2.644 . 0 0 "[ . 1 . 2 . 3 ]" 1
184 1 19 ILE HA 1 19 ILE MG . . 3.230 2.485 2.386 2.577 . 0 0 "[ . 1 . 2 . 3 ]" 1
185 1 19 ILE HB 1 19 ILE MD . . 3.740 2.225 2.174 2.285 . 0 0 "[ . 1 . 2 . 3 ]" 1
186 1 19 ILE HB 1 20 CYS H . . 3.630 2.515 2.192 2.611 . 0 0 "[ . 1 . 2 . 3 ]" 1
187 1 19 ILE HB 1 21 LEU H . . 5.500 4.460 4.218 4.570 . 0 0 "[ . 1 . 2 . 3 ]" 1
188 1 19 ILE HB 1 43 CYS HB2 . . 3.890 3.221 2.981 3.347 . 0 0 "[ . 1 . 2 . 3 ]" 1
189 1 19 ILE HB 1 43 CYS QB . . 3.570 2.248 2.101 2.490 . 0 0 "[ . 1 . 2 . 3 ]" 1
190 1 19 ILE HB 1 43 CYS HB3 . . 3.890 2.296 2.137 2.569 . 0 0 "[ . 1 . 2 . 3 ]" 1
191 1 19 ILE MD 1 19 ILE MG . . 3.700 2.208 2.087 2.438 . 0 0 "[ . 1 . 2 . 3 ]" 1
192 1 19 ILE MD 1 39 PHE HB2 . . 4.990 3.552 3.118 4.017 . 0 0 "[ . 1 . 2 . 3 ]" 1
193 1 19 ILE MD 1 39 PHE QB . . 4.820 2.424 2.230 2.756 . 0 0 "[ . 1 . 2 . 3 ]" 1
194 1 19 ILE MD 1 39 PHE HB3 . . 4.990 2.470 2.259 2.807 . 0 0 "[ . 1 . 2 . 3 ]" 1
195 1 19 ILE MD 1 43 CYS HA . . 5.160 3.874 3.575 4.082 . 0 0 "[ . 1 . 2 . 3 ]" 1
196 1 19 ILE MD 1 43 CYS HB2 . . 4.280 2.916 2.554 3.261 . 0 0 "[ . 1 . 2 . 3 ]" 1
197 1 19 ILE MD 1 43 CYS QB . . 3.990 2.415 2.104 2.721 . 0 0 "[ . 1 . 2 . 3 ]" 1
198 1 19 ILE MD 1 43 CYS HB3 . . 4.280 2.583 2.239 2.955 . 0 0 "[ . 1 . 2 . 3 ]" 1
199 1 19 ILE MD 1 44 VAL H . . 4.890 3.464 3.103 3.834 . 0 0 "[ . 1 . 2 . 3 ]" 1
200 1 19 ILE MD 1 44 VAL HA . . 3.610 2.424 2.141 2.870 . 0 0 "[ . 1 . 2 . 3 ]" 1
201 1 19 ILE MD 1 47 ALA H . . 5.500 3.812 3.685 3.998 . 0 0 "[ . 1 . 2 . 3 ]" 1
202 1 19 ILE MD 1 47 ALA MB . . 3.820 2.127 1.984 2.353 . 0 0 "[ . 1 . 2 . 3 ]" 1
203 1 19 ILE QG 1 20 CYS H . . 6.380 4.243 4.119 4.298 . 0 0 "[ . 1 . 2 . 3 ]" 1
204 1 19 ILE MG 1 20 CYS H . . 4.100 3.022 2.528 3.149 . 0 0 "[ . 1 . 2 . 3 ]" 1
205 1 19 ILE MG 1 20 CYS HA . . 4.470 3.540 3.355 3.727 . 0 0 "[ . 1 . 2 . 3 ]" 1
206 1 19 ILE MG 1 20 CYS QB . . 5.910 3.789 3.181 4.396 . 0 0 "[ . 1 . 2 . 3 ]" 1
207 1 19 ILE MG 1 21 LEU H . . 5.460 4.555 4.385 4.605 . 0 0 "[ . 1 . 2 . 3 ]" 1
208 1 19 ILE MG 1 43 CYS HB2 . . 4.180 3.502 3.484 3.529 . 0 0 "[ . 1 . 2 . 3 ]" 1
209 1 19 ILE MG 1 43 CYS QB . . 3.750 2.082 2.052 2.156 . 0 0 "[ . 1 . 2 . 3 ]" 1
210 1 19 ILE MG 1 43 CYS HB3 . . 4.180 2.097 2.066 2.177 . 0 0 "[ . 1 . 2 . 3 ]" 1
211 1 19 ILE MG 1 44 VAL HA . . 5.470 4.217 3.904 4.583 . 0 0 "[ . 1 . 2 . 3 ]" 1
212 1 19 ILE MG 1 47 ALA MB . . 4.860 3.163 2.971 3.376 . 0 0 "[ . 1 . 2 . 3 ]" 1
213 1 20 CYS H 1 21 LEU H . . 3.660 2.425 2.211 2.662 . 0 0 "[ . 1 . 2 . 3 ]" 1
214 1 20 CYS H 1 21 LEU HA . . 4.500 4.487 4.247 4.551 0.051 29 0 "[ . 1 . 2 . 3 ]" 1
215 1 20 CYS H 1 21 LEU QD . . 7.070 4.722 4.543 4.960 . 0 0 "[ . 1 . 2 . 3 ]" 1
216 1 20 CYS H 1 22 SER H . . 4.870 3.900 3.541 4.279 . 0 0 "[ . 1 . 2 . 3 ]" 1
217 1 20 CYS HA 1 21 LEU HG . . 4.890 4.443 4.106 4.776 . 0 0 "[ . 1 . 2 . 3 ]" 1
218 1 20 CYS QB 1 22 SER H . . 5.130 3.356 2.163 4.358 . 0 0 "[ . 1 . 2 . 3 ]" 1
219 1 20 CYS HB2 1 22 SER H . . 5.320 3.481 2.195 4.617 . 0 0 "[ . 1 . 2 . 3 ]" 1
220 1 20 CYS HB3 1 22 SER H . . 5.320 4.528 3.281 5.351 0.031 8 0 "[ . 1 . 2 . 3 ]" 1
221 1 21 LEU H 1 21 LEU MD1 . . 4.840 4.054 3.962 4.107 . 0 0 "[ . 1 . 2 . 3 ]" 1
222 1 21 LEU H 1 21 LEU QD . . 4.060 3.024 2.962 3.064 . 0 0 "[ . 1 . 2 . 3 ]" 1
223 1 21 LEU H 1 21 LEU MD2 . . 4.840 3.121 3.044 3.190 . 0 0 "[ . 1 . 2 . 3 ]" 1
224 1 21 LEU H 1 21 LEU HG . . 4.390 2.497 2.391 2.592 . 0 0 "[ . 1 . 2 . 3 ]" 1
225 1 21 LEU H 1 22 SER H . . 3.620 2.897 2.750 3.104 . 0 0 "[ . 1 . 2 . 3 ]" 1
226 1 21 LEU HA 1 21 LEU MD1 . . 4.590 3.838 3.826 3.856 . 0 0 "[ . 1 . 2 . 3 ]" 1
227 1 21 LEU HA 1 21 LEU QD . . 3.480 2.056 2.004 2.083 . 0 0 "[ . 1 . 2 . 3 ]" 1
228 1 21 LEU HA 1 21 LEU MD2 . . 4.390 2.065 2.011 2.092 . 0 0 "[ . 1 . 2 . 3 ]" 1
229 1 21 LEU HA 1 21 LEU HG . . 3.930 2.866 2.776 2.896 . 0 0 "[ . 1 . 2 . 3 ]" 1
230 1 21 LEU HA 1 22 SER H . . 3.190 2.685 2.422 3.006 . 0 0 "[ . 1 . 2 . 3 ]" 1
231 1 21 LEU HA 1 22 SER HA . . 5.310 4.450 4.353 4.722 . 0 0 "[ . 1 . 2 . 3 ]" 1
232 1 21 LEU QB 1 22 SER H . . 5.310 3.935 3.780 3.991 . 0 0 "[ . 1 . 2 . 3 ]" 1
233 1 21 LEU HB2 1 22 SER H . . 5.500 4.370 4.087 4.533 . 0 0 "[ . 1 . 2 . 3 ]" 1
234 1 21 LEU HB3 1 22 SER H . . 5.500 4.476 4.368 4.531 . 0 0 "[ . 1 . 2 . 3 ]" 1
235 1 21 LEU QD 1 22 SER H . . 6.650 4.258 4.023 4.451 . 0 0 "[ . 1 . 2 . 3 ]" 1
236 1 22 SER H 1 24 LEU QD . . 7.070 4.834 4.573 4.985 . 0 0 "[ . 1 . 2 . 3 ]" 1
237 1 22 SER HA 1 23 ILE H . . 3.000 2.348 2.254 2.501 . 0 0 "[ . 1 . 2 . 3 ]" 1
238 1 22 SER HA 1 23 ILE HB . . 5.180 4.442 4.279 4.599 . 0 0 "[ . 1 . 2 . 3 ]" 1
239 1 22 SER QB 1 23 ILE H . . 4.340 3.147 2.575 3.781 . 0 0 "[ . 1 . 2 . 3 ]" 1
240 1 23 ILE H 1 23 ILE HB . . 2.970 2.133 2.068 2.275 . 0 0 "[ . 1 . 2 . 3 ]" 1
241 1 23 ILE H 1 23 ILE MD . . 4.580 3.281 1.861 3.852 . 0 0 "[ . 1 . 2 . 3 ]" 1
242 1 23 ILE H 1 23 ILE HG12 . . 3.540 2.707 2.001 3.497 . 0 0 "[ . 1 . 2 . 3 ]" 1
243 1 23 ILE H 1 23 ILE QG . . 3.360 2.587 1.988 3.135 . 0 0 "[ . 1 . 2 . 3 ]" 1
244 1 23 ILE H 1 23 ILE HG13 . . 3.540 3.506 2.999 3.585 0.045 12 0 "[ . 1 . 2 . 3 ]" 1
245 1 23 ILE H 1 23 ILE MG . . 4.250 3.596 3.563 3.625 . 0 0 "[ . 1 . 2 . 3 ]" 1
246 1 23 ILE H 1 24 LEU H . . 4.810 4.547 4.452 4.640 . 0 0 "[ . 1 . 2 . 3 ]" 1
247 1 23 ILE H 1 24 LEU QD . . 7.070 5.223 4.982 5.306 . 0 0 "[ . 1 . 2 . 3 ]" 1
248 1 23 ILE HA 1 23 ILE MD . . 4.130 2.269 2.039 2.661 . 0 0 "[ . 1 . 2 . 3 ]" 1
249 1 23 ILE HA 1 23 ILE HG12 . . 4.010 3.015 2.662 3.777 . 0 0 "[ . 1 . 2 . 3 ]" 1
250 1 23 ILE HA 1 23 ILE HG13 . . 4.010 3.426 2.431 3.869 . 0 0 "[ . 1 . 2 . 3 ]" 1
251 1 23 ILE HA 1 23 ILE MG . . 3.390 2.595 2.397 2.714 . 0 0 "[ . 1 . 2 . 3 ]" 1
252 1 23 ILE HA 1 24 LEU H . . 3.020 2.272 2.158 2.411 . 0 0 "[ . 1 . 2 . 3 ]" 1
253 1 23 ILE HA 1 24 LEU HA . . 4.610 4.449 4.362 4.535 . 0 0 "[ . 1 . 2 . 3 ]" 1
254 1 23 ILE HA 1 24 LEU QB . . 6.020 4.291 4.214 4.486 . 0 0 "[ . 1 . 2 . 3 ]" 1
255 1 23 ILE HA 1 24 LEU QD . . 6.140 3.946 3.825 4.235 . 0 0 "[ . 1 . 2 . 3 ]" 1
256 1 23 ILE HA 1 24 LEU HG . . 5.500 3.340 3.212 3.741 . 0 0 "[ . 1 . 2 . 3 ]" 1
257 1 23 ILE HB 1 24 LEU H . . 3.930 3.957 3.889 4.007 0.077 31 0 "[ . 1 . 2 . 3 ]" 1
258 1 23 ILE MD 1 24 LEU H . . 5.260 3.541 2.952 4.483 . 0 0 "[ . 1 . 2 . 3 ]" 1
259 1 23 ILE QG 1 24 LEU H . . 6.030 4.183 3.671 4.714 . 0 0 "[ . 1 . 2 . 3 ]" 1
260 1 23 ILE MG 1 24 LEU H . . 3.570 2.125 2.053 2.278 . 0 0 "[ . 1 . 2 . 3 ]" 1
261 1 23 ILE MG 1 24 LEU HA . . 4.670 3.818 3.704 3.897 . 0 0 "[ . 1 . 2 . 3 ]" 1
262 1 23 ILE MG 1 25 GLU H . . 5.450 4.618 4.572 4.650 . 0 0 "[ . 1 . 2 . 3 ]" 1
263 1 23 ILE MG 1 25 GLU HA . . 4.640 3.879 3.787 3.925 . 0 0 "[ . 1 . 2 . 3 ]" 1
264 1 23 ILE MG 1 25 GLU QB . . 6.380 4.098 3.888 4.299 . 0 0 "[ . 1 . 2 . 3 ]" 1
265 1 24 LEU H 1 24 LEU HB2 . . 3.940 2.339 2.278 2.490 . 0 0 "[ . 1 . 2 . 3 ]" 1
266 1 24 LEU H 1 24 LEU QB . . 3.640 2.309 2.252 2.450 . 0 0 "[ . 1 . 2 . 3 ]" 1
267 1 24 LEU H 1 24 LEU HB3 . . 3.940 3.558 3.513 3.644 . 0 0 "[ . 1 . 2 . 3 ]" 1
268 1 24 LEU H 1 24 LEU MD1 . . 4.470 3.462 3.336 3.597 . 0 0 "[ . 1 . 2 . 3 ]" 1
269 1 24 LEU H 1 24 LEU QD . . 4.110 3.128 3.094 3.172 . 0 0 "[ . 1 . 2 . 3 ]" 1
270 1 24 LEU H 1 24 LEU MD2 . . 4.470 3.579 3.411 3.736 . 0 0 "[ . 1 . 2 . 3 ]" 1
271 1 24 LEU H 1 24 LEU HG . . 4.640 2.452 2.336 2.553 . 0 0 "[ . 1 . 2 . 3 ]" 1
272 1 24 LEU H 1 25 GLU H . . 5.040 4.217 4.037 4.414 . 0 0 "[ . 1 . 2 . 3 ]" 1
273 1 24 LEU HA 1 24 LEU MD1 . . 4.700 3.886 3.833 3.914 . 0 0 "[ . 1 . 2 . 3 ]" 1
274 1 24 LEU HA 1 24 LEU QD . . 3.690 2.156 2.045 2.278 . 0 0 "[ . 1 . 2 . 3 ]" 1
275 1 24 LEU HA 1 24 LEU MD2 . . 4.700 2.167 2.053 2.293 . 0 0 "[ . 1 . 2 . 3 ]" 1
276 1 24 LEU HA 1 24 LEU HG . . 4.180 3.051 2.923 3.146 . 0 0 "[ . 1 . 2 . 3 ]" 1
277 1 24 LEU HA 1 25 GLU H . . 3.100 2.924 2.582 3.125 0.025 24 0 "[ . 1 . 2 . 3 ]" 1
278 1 24 LEU HA 1 25 GLU QB . . 5.570 4.382 4.165 4.562 . 0 0 "[ . 1 . 2 . 3 ]" 1
279 1 24 LEU QB 1 25 GLU H . . 4.540 1.957 1.904 2.142 . 0 0 "[ . 1 . 2 . 3 ]" 1
280 1 24 LEU HB2 1 25 GLU H . . 4.810 2.818 2.504 3.235 . 0 0 "[ . 1 . 2 . 3 ]" 1
281 1 24 LEU HB3 1 25 GLU H . . 4.810 1.998 1.954 2.174 . 0 0 "[ . 1 . 2 . 3 ]" 1
282 1 24 LEU QD 1 25 GLU H . . 4.490 3.360 3.313 3.402 . 0 0 "[ . 1 . 2 . 3 ]" 1
283 1 24 LEU QD 1 30 VAL HA . . 6.910 4.145 3.839 4.459 . 0 0 "[ . 1 . 2 . 3 ]" 1
284 1 24 LEU QD 1 30 VAL HB . . 4.680 3.396 3.083 3.549 . 0 0 "[ . 1 . 2 . 3 ]" 1
285 1 24 LEU QD 1 30 VAL QG . . 5.260 2.037 1.841 2.331 . 0 0 "[ . 1 . 2 . 3 ]" 1
286 1 24 LEU QD 1 38 LEU QB . . 6.290 3.528 2.828 4.131 . 0 0 "[ . 1 . 2 . 3 ]" 1
287 1 24 LEU QD 1 38 LEU QD . . 6.910 2.061 1.815 3.105 . 0 0 "[ . 1 . 2 . 3 ]" 1
288 1 24 LEU QD 1 39 PHE H . . 7.070 4.387 3.827 4.868 . 0 0 "[ . 1 . 2 . 3 ]" 1
289 1 24 LEU QD 1 39 PHE HA . . 5.980 3.170 2.478 4.038 . 0 0 "[ . 1 . 2 . 3 ]" 1
290 1 24 LEU QD 1 40 HIS H . . 5.990 3.161 2.623 3.738 . 0 0 "[ . 1 . 2 . 3 ]" 1
291 1 24 LEU QD 1 40 HIS HA . . 6.100 3.209 2.774 3.465 . 0 0 "[ . 1 . 2 . 3 ]" 1
292 1 24 LEU QD 1 41 GLN H . . 7.070 4.859 4.467 5.146 . 0 0 "[ . 1 . 2 . 3 ]" 1
293 1 24 LEU MD1 1 25 GLU H . . 5.000 4.034 3.836 4.223 . 0 0 "[ . 1 . 2 . 3 ]" 1
294 1 24 LEU MD1 1 30 VAL HB . . 5.220 3.585 3.178 3.862 . 0 0 "[ . 1 . 2 . 3 ]" 1
295 1 24 LEU MD1 1 30 VAL MG1 . . 7.230 2.265 1.997 2.648 . 0 0 "[ . 1 . 2 . 3 ]" 1
296 1 24 LEU MD1 1 30 VAL MG2 . . 7.230 3.704 3.033 4.116 . 0 0 "[ . 1 . 2 . 3 ]" 1
297 1 24 LEU MD1 1 38 LEU HB2 . . 8.150 4.517 3.587 5.129 . 0 0 "[ . 1 . 2 . 3 ]" 1
298 1 24 LEU MD1 1 38 LEU HB3 . . 8.150 3.937 2.881 5.016 . 0 0 "[ . 1 . 2 . 3 ]" 1
299 1 24 LEU MD2 1 25 GLU H . . 5.000 3.603 3.466 3.752 . 0 0 "[ . 1 . 2 . 3 ]" 1
300 1 24 LEU MD2 1 30 VAL HB . . 5.220 4.239 3.926 4.367 . 0 0 "[ . 1 . 2 . 3 ]" 1
301 1 24 LEU MD2 1 30 VAL MG1 . . 7.230 2.355 2.122 2.718 . 0 0 "[ . 1 . 2 . 3 ]" 1
302 1 24 LEU MD2 1 30 VAL MG2 . . 7.230 4.480 4.057 4.858 . 0 0 "[ . 1 . 2 . 3 ]" 1
303 1 24 LEU MD2 1 38 LEU HB2 . . 8.150 6.481 5.451 6.864 . 0 0 "[ . 1 . 2 . 3 ]" 1
304 1 24 LEU MD2 1 38 LEU HB3 . . 8.150 6.018 5.379 6.816 . 0 0 "[ . 1 . 2 . 3 ]" 1
305 1 24 LEU HG 1 25 GLU H . . 5.130 4.684 4.606 4.802 . 0 0 "[ . 1 . 2 . 3 ]" 1
306 1 25 GLU H 1 25 GLU HB2 . . 4.090 4.036 3.957 4.105 0.015 4 0 "[ . 1 . 2 . 3 ]" 1
307 1 25 GLU H 1 25 GLU QB . . 3.620 3.269 3.177 3.319 . 0 0 "[ . 1 . 2 . 3 ]" 1
308 1 25 GLU H 1 25 GLU HB3 . . 3.890 3.456 3.324 3.527 . 0 0 "[ . 1 . 2 . 3 ]" 1
309 1 25 GLU H 1 25 GLU HG2 . . 4.200 2.870 2.391 3.162 . 0 0 "[ . 1 . 2 . 3 ]" 1
310 1 25 GLU H 1 25 GLU QG . . 3.930 2.741 2.365 3.078 . 0 0 "[ . 1 . 2 . 3 ]" 1
311 1 25 GLU H 1 25 GLU HG3 . . 4.200 3.532 2.810 4.231 0.031 4 0 "[ . 1 . 2 . 3 ]" 1
312 1 25 GLU H 1 26 GLU H . . 4.610 4.341 4.128 4.536 . 0 0 "[ . 1 . 2 . 3 ]" 1
313 1 25 GLU H 1 28 GLU H . . 5.260 3.939 3.377 5.326 0.066 24 0 "[ . 1 . 2 . 3 ]" 1
314 1 25 GLU H 1 28 GLU QB . . 5.510 2.625 2.058 4.175 . 0 0 "[ . 1 . 2 . 3 ]" 1
315 1 25 GLU H 1 28 GLU QG . . 5.610 3.828 2.530 4.501 . 0 0 "[ . 1 . 2 . 3 ]" 1
316 1 25 GLU H 1 30 VAL QG . . 7.060 3.876 3.519 4.151 . 0 0 "[ . 1 . 2 . 3 ]" 1
317 1 25 GLU HA 1 25 GLU HG2 . . 4.050 3.802 3.656 3.878 . 0 0 "[ . 1 . 2 . 3 ]" 1
318 1 25 GLU HA 1 25 GLU QG . . 3.820 3.365 3.335 3.395 . 0 0 "[ . 1 . 2 . 3 ]" 1
319 1 25 GLU HA 1 25 GLU HG3 . . 4.050 3.759 3.636 4.018 . 0 0 "[ . 1 . 2 . 3 ]" 1
320 1 25 GLU HA 1 26 GLU H . . 2.880 2.560 2.343 2.942 0.062 24 0 "[ . 1 . 2 . 3 ]" 1
321 1 25 GLU HA 1 26 GLU HA . . 4.590 4.344 4.180 4.603 0.013 24 0 "[ . 1 . 2 . 3 ]" 1
322 1 25 GLU HA 1 26 GLU HB2 . . 5.240 4.619 4.443 4.843 . 0 0 "[ . 1 . 2 . 3 ]" 1
323 1 25 GLU HA 1 26 GLU QB . . 5.040 4.250 4.131 4.379 . 0 0 "[ . 1 . 2 . 3 ]" 1
324 1 25 GLU HA 1 26 GLU HB3 . . 5.240 4.973 4.790 5.185 . 0 0 "[ . 1 . 2 . 3 ]" 1
325 1 25 GLU QB 1 26 GLU H . . 3.890 2.298 2.026 2.633 . 0 0 "[ . 1 . 2 . 3 ]" 1
326 1 25 GLU QB 1 28 GLU H . . 6.270 4.956 3.992 5.647 . 0 0 "[ . 1 . 2 . 3 ]" 1
327 1 25 GLU HB2 1 26 GLU H . . 4.140 2.319 2.037 2.673 . 0 0 "[ . 1 . 2 . 3 ]" 1
328 1 25 GLU HB3 1 26 GLU H . . 4.140 3.772 3.598 3.971 . 0 0 "[ . 1 . 2 . 3 ]" 1
329 1 25 GLU QG 1 26 GLU H . . 4.160 3.204 2.661 3.484 . 0 0 "[ . 1 . 2 . 3 ]" 1
330 1 25 GLU QG 1 26 GLU HA . . 4.930 4.334 3.881 4.446 . 0 0 "[ . 1 . 2 . 3 ]" 1
331 1 25 GLU QG 1 27 GLY H . . 5.770 4.242 2.934 4.969 . 0 0 "[ . 1 . 2 . 3 ]" 1
332 1 25 GLU HG2 1 26 GLU H . . 4.510 4.418 3.810 4.577 0.067 19 0 "[ . 1 . 2 . 3 ]" 1
333 1 25 GLU HG3 1 26 GLU H . . 4.510 3.290 2.716 3.611 . 0 0 "[ . 1 . 2 . 3 ]" 1
334 1 26 GLU H 1 26 GLU HB2 . . 3.390 2.598 2.408 3.224 . 0 0 "[ . 1 . 2 . 3 ]" 1
335 1 26 GLU H 1 26 GLU QB . . 3.060 2.244 2.156 2.541 . 0 0 "[ . 1 . 2 . 3 ]" 1
336 1 26 GLU H 1 26 GLU HB3 . . 3.390 2.471 2.322 2.659 . 0 0 "[ . 1 . 2 . 3 ]" 1
337 1 26 GLU HA 1 27 GLY H . . 2.860 2.207 2.127 2.355 . 0 0 "[ . 1 . 2 . 3 ]" 1
338 1 26 GLU HA 1 27 GLY HA2 . . 4.880 4.367 4.173 4.449 . 0 0 "[ . 1 . 2 . 3 ]" 1
339 1 26 GLU HA 1 27 GLY QA . . 4.740 3.918 3.832 3.983 . 0 0 "[ . 1 . 2 . 3 ]" 1
340 1 26 GLU HA 1 28 GLU H . . 4.270 3.902 3.554 4.306 0.036 27 0 "[ . 1 . 2 . 3 ]" 1
341 1 27 GLY H 1 28 GLU H . . 3.760 2.444 2.056 2.945 . 0 0 "[ . 1 . 2 . 3 ]" 1
342 1 27 GLY H 1 28 GLU QB . . 5.160 4.053 3.187 4.614 . 0 0 "[ . 1 . 2 . 3 ]" 1
343 1 27 GLY QA 1 28 GLU QB . . 6.440 4.345 4.089 4.443 . 0 0 "[ . 1 . 2 . 3 ]" 1
344 1 28 GLU H 1 28 GLU HB2 . . 3.720 2.372 2.022 3.780 0.060 8 0 "[ . 1 . 2 . 3 ]" 1
345 1 28 GLU H 1 28 GLU QB . . 3.370 2.190 2.006 3.020 . 0 0 "[ . 1 . 2 . 3 ]" 1
346 1 28 GLU H 1 28 GLU HB3 . . 3.720 2.761 2.183 3.490 . 0 0 "[ . 1 . 2 . 3 ]" 1
347 1 28 GLU H 1 29 ASP H . . 4.550 4.578 4.379 4.631 0.081 16 0 "[ . 1 . 2 . 3 ]" 1
348 1 28 GLU H 1 30 VAL QG . . 7.060 3.506 3.033 4.289 . 0 0 "[ . 1 . 2 . 3 ]" 1
349 1 28 GLU HA 1 28 GLU HG2 . . 4.100 2.881 2.174 3.962 . 0 0 "[ . 1 . 2 . 3 ]" 1
350 1 28 GLU HA 1 28 GLU QG . . 3.620 2.475 2.133 3.355 . 0 0 "[ . 1 . 2 . 3 ]" 1
351 1 28 GLU HA 1 28 GLU HG3 . . 4.100 2.933 2.407 4.126 0.026 24 0 "[ . 1 . 2 . 3 ]" 1
352 1 28 GLU HA 1 29 ASP H . . 2.980 2.454 2.248 2.797 . 0 0 "[ . 1 . 2 . 3 ]" 1
353 1 28 GLU HA 1 29 ASP QB . . 5.630 4.621 4.313 4.900 . 0 0 "[ . 1 . 2 . 3 ]" 1
354 1 28 GLU QB 1 29 ASP H . . 3.690 3.048 2.109 3.387 . 0 0 "[ . 1 . 2 . 3 ]" 1
355 1 28 GLU QB 1 30 VAL QG . . 6.080 2.378 2.064 3.694 . 0 0 "[ . 1 . 2 . 3 ]" 1
356 1 28 GLU HB2 1 29 ASP H . . 3.960 3.850 2.122 4.061 0.101 27 0 "[ . 1 . 2 . 3 ]" 1
357 1 28 GLU HB2 1 30 VAL MG1 . . 7.750 3.696 3.142 4.212 . 0 0 "[ . 1 . 2 . 3 ]" 1
358 1 28 GLU HB2 1 30 VAL MG2 . . 7.750 5.029 4.512 5.421 . 0 0 "[ . 1 . 2 . 3 ]" 1
359 1 28 GLU HB3 1 29 ASP H . . 3.960 3.307 2.746 3.816 . 0 0 "[ . 1 . 2 . 3 ]" 1
360 1 28 GLU HB3 1 30 VAL MG1 . . 7.750 2.489 2.093 4.746 . 0 0 "[ . 1 . 2 . 3 ]" 1
361 1 28 GLU HB3 1 30 VAL MG2 . . 7.750 4.051 3.194 5.307 . 0 0 "[ . 1 . 2 . 3 ]" 1
362 1 28 GLU QG 1 29 ASP H . . 4.800 2.357 1.930 3.622 . 0 0 "[ . 1 . 2 . 3 ]" 1
363 1 28 GLU QG 1 30 VAL QG . . 7.940 3.341 1.958 4.337 . 0 0 "[ . 1 . 2 . 3 ]" 1
364 1 28 GLU HG2 1 29 ASP H . . 5.000 2.638 1.942 4.437 . 0 0 "[ . 1 . 2 . 3 ]" 1
365 1 28 GLU HG3 1 29 ASP H . . 5.000 3.236 2.244 4.450 . 0 0 "[ . 1 . 2 . 3 ]" 1
366 1 29 ASP H 1 29 ASP HB2 . . 3.560 2.663 2.295 3.665 0.105 27 0 "[ . 1 . 2 . 3 ]" 1
367 1 29 ASP H 1 29 ASP QB . . 3.290 2.457 2.267 2.628 . 0 0 "[ . 1 . 2 . 3 ]" 1
368 1 29 ASP H 1 29 ASP HB3 . . 3.560 3.437 2.483 3.650 0.090 11 0 "[ . 1 . 2 . 3 ]" 1
369 1 29 ASP H 1 30 VAL H . . 4.440 4.323 3.975 4.489 0.049 13 0 "[ . 1 . 2 . 3 ]" 1
370 1 29 ASP HA 1 30 VAL H . . 2.930 2.205 2.115 2.287 . 0 0 "[ . 1 . 2 . 3 ]" 1
371 1 29 ASP QB 1 41 GLN H . . 5.630 3.235 2.705 3.618 . 0 0 "[ . 1 . 2 . 3 ]" 1
372 1 29 ASP QB 1 41 GLN QB . . 4.060 2.187 1.950 2.766 . 0 0 "[ . 1 . 2 . 3 ]" 1
373 1 29 ASP QB 1 41 GLN HE21 . . 7.240 3.470 2.010 4.527 . 0 0 "[ . 1 . 2 . 3 ]" 1
374 1 29 ASP QB 1 41 GLN QG . . 6.720 3.713 2.782 4.525 . 0 0 "[ . 1 . 2 . 3 ]" 1
375 1 29 ASP HB2 1 30 VAL H . . 4.350 4.294 3.477 4.480 0.130 28 0 "[ . 1 . 2 . 3 ]" 1
376 1 29 ASP HB2 1 41 GLN HB2 . . 4.330 3.322 2.280 4.350 0.020 4 0 "[ . 1 . 2 . 3 ]" 1
377 1 29 ASP HB2 1 41 GLN HB3 . . 4.330 3.625 2.175 4.395 0.065 2 0 "[ . 1 . 2 . 3 ]" 1
378 1 29 ASP HB3 1 30 VAL H . . 4.350 3.898 3.366 4.439 0.089 23 0 "[ . 1 . 2 . 3 ]" 1
379 1 29 ASP HB3 1 41 GLN HB2 . . 4.330 2.734 2.131 4.382 0.052 27 0 "[ . 1 . 2 . 3 ]" 1
380 1 29 ASP HB3 1 41 GLN HB3 . . 4.330 3.052 2.189 4.114 . 0 0 "[ . 1 . 2 . 3 ]" 1
381 1 30 VAL H 1 30 VAL HB . . 4.000 3.861 3.779 3.966 . 0 0 "[ . 1 . 2 . 3 ]" 1
382 1 30 VAL H 1 31 ARG H . . 5.180 4.377 4.334 4.446 . 0 0 "[ . 1 . 2 . 3 ]" 1
383 1 30 VAL H 1 31 ARG HA . . 4.650 4.725 4.663 4.773 0.123 25 0 "[ . 1 . 2 . 3 ]" 1
384 1 30 VAL H 1 40 HIS HA . . 4.840 4.780 4.566 4.931 0.091 29 0 "[ . 1 . 2 . 3 ]" 1
385 1 30 VAL HA 1 31 ARG H . . 3.030 2.523 2.257 2.715 . 0 0 "[ . 1 . 2 . 3 ]" 1
386 1 30 VAL HA 1 31 ARG QB . . 5.690 3.942 3.424 4.662 . 0 0 "[ . 1 . 2 . 3 ]" 1
387 1 30 VAL HA 1 40 HIS H . . 5.170 4.555 4.361 4.744 . 0 0 "[ . 1 . 2 . 3 ]" 1
388 1 30 VAL HA 1 40 HIS HA . . 3.250 2.194 2.053 2.389 . 0 0 "[ . 1 . 2 . 3 ]" 1
389 1 30 VAL HA 1 40 HIS QB . . 5.570 4.118 3.821 4.383 . 0 0 "[ . 1 . 2 . 3 ]" 1
390 1 30 VAL HA 1 41 GLN H . . 3.420 2.436 2.105 2.848 . 0 0 "[ . 1 . 2 . 3 ]" 1
391 1 30 VAL HA 1 41 GLN HA . . 4.620 3.893 3.506 4.221 . 0 0 "[ . 1 . 2 . 3 ]" 1
392 1 30 VAL HA 1 41 GLN QB . . 5.260 3.366 2.930 4.099 . 0 0 "[ . 1 . 2 . 3 ]" 1
393 1 30 VAL HB 1 31 ARG H . . 3.450 2.327 2.036 2.903 . 0 0 "[ . 1 . 2 . 3 ]" 1
394 1 30 VAL HB 1 38 LEU QD . . 5.470 2.675 2.064 3.619 . 0 0 "[ . 1 . 2 . 3 ]" 1
395 1 30 VAL HB 1 39 PHE H . . 5.230 3.697 3.198 4.160 . 0 0 "[ . 1 . 2 . 3 ]" 1
396 1 30 VAL HB 1 40 HIS HA . . 5.020 3.617 2.783 3.967 . 0 0 "[ . 1 . 2 . 3 ]" 1
397 1 30 VAL QG 1 31 ARG H . . 5.600 3.048 2.779 3.407 . 0 0 "[ . 1 . 2 . 3 ]" 1
398 1 30 VAL QG 1 31 ARG HA . . 7.060 3.707 3.366 4.066 . 0 0 "[ . 1 . 2 . 3 ]" 1
399 1 30 VAL QG 1 39 PHE H . . 6.590 4.217 3.853 4.593 . 0 0 "[ . 1 . 2 . 3 ]" 1
400 1 30 VAL QG 1 40 HIS HA . . 5.490 2.292 2.045 2.611 . 0 0 "[ . 1 . 2 . 3 ]" 1
401 1 30 VAL QG 1 41 GLN H . . 6.470 3.578 3.155 3.852 . 0 0 "[ . 1 . 2 . 3 ]" 1
402 1 30 VAL QG 1 41 GLN HE21 . . 7.930 4.503 3.818 5.831 . 0 0 "[ . 1 . 2 . 3 ]" 1
403 1 31 ARG H 1 31 ARG QB . . 3.760 2.618 2.393 3.097 . 0 0 "[ . 1 . 2 . 3 ]" 1
404 1 31 ARG H 1 31 ARG QG . . 5.110 3.665 2.509 4.025 . 0 0 "[ . 1 . 2 . 3 ]" 1
405 1 31 ARG H 1 38 LEU HA . . 4.820 4.209 3.658 4.694 . 0 0 "[ . 1 . 2 . 3 ]" 1
406 1 31 ARG H 1 38 LEU QD . . 6.540 3.822 2.732 4.737 . 0 0 "[ . 1 . 2 . 3 ]" 1
407 1 31 ARG H 1 39 PHE H . . 4.260 2.854 2.591 3.087 . 0 0 "[ . 1 . 2 . 3 ]" 1
408 1 31 ARG H 1 39 PHE HB2 . . 5.320 4.193 3.737 4.451 . 0 0 "[ . 1 . 2 . 3 ]" 1
409 1 31 ARG H 1 39 PHE QB . . 5.190 4.016 3.579 4.243 . 0 0 "[ . 1 . 2 . 3 ]" 1
410 1 31 ARG H 1 39 PHE HB3 . . 5.320 5.142 4.580 5.363 0.043 6 0 "[ . 1 . 2 . 3 ]" 1
411 1 31 ARG H 1 40 HIS HA . . 4.580 3.967 3.532 4.311 . 0 0 "[ . 1 . 2 . 3 ]" 1
412 1 31 ARG H 1 41 GLN HA . . 5.090 4.444 3.645 5.015 . 0 0 "[ . 1 . 2 . 3 ]" 1
413 1 31 ARG HA 1 31 ARG QD . . 4.470 3.020 2.200 4.080 . 0 0 "[ . 1 . 2 . 3 ]" 1
414 1 31 ARG HA 1 32 ARG H . . 2.890 2.496 2.196 2.620 . 0 0 "[ . 1 . 2 . 3 ]" 1
415 1 31 ARG HA 1 32 ARG HA . . 4.480 4.494 4.396 4.532 0.052 13 0 "[ . 1 . 2 . 3 ]" 1
416 1 31 ARG QB 1 38 LEU HA . . 5.970 5.088 4.643 5.343 . 0 0 "[ . 1 . 2 . 3 ]" 1
417 1 31 ARG QB 1 39 PHE H . . 5.930 3.876 3.517 4.319 . 0 0 "[ . 1 . 2 . 3 ]" 1
418 1 31 ARG QB 1 41 GLN H . . 6.340 4.660 3.856 5.488 . 0 0 "[ . 1 . 2 . 3 ]" 1
419 1 31 ARG QB 1 41 GLN HA . . 4.270 3.053 2.399 3.814 . 0 0 "[ . 1 . 2 . 3 ]" 1
420 1 31 ARG QB 1 41 GLN QG . . 6.810 3.667 2.432 5.114 . 0 0 "[ . 1 . 2 . 3 ]" 1
421 1 31 ARG QB 1 44 VAL QG . . 7.480 2.058 1.896 2.807 . 0 0 "[ . 1 . 2 . 3 ]" 1
422 1 31 ARG HB2 1 32 ARG H . . 5.390 3.831 2.307 4.464 . 0 0 "[ . 1 . 2 . 3 ]" 1
423 1 31 ARG HB2 1 41 GLN HA . . 4.960 3.159 2.425 4.948 . 0 0 "[ . 1 . 2 . 3 ]" 1
424 1 31 ARG HB3 1 32 ARG H . . 5.390 2.606 2.148 3.776 . 0 0 "[ . 1 . 2 . 3 ]" 1
425 1 31 ARG HB3 1 41 GLN HA . . 4.960 4.523 3.287 5.027 0.067 26 0 "[ . 1 . 2 . 3 ]" 1
426 1 31 ARG QD 1 32 ARG H . . 5.500 2.935 2.076 4.523 . 0 0 "[ . 1 . 2 . 3 ]" 1
427 1 31 ARG QD 1 41 GLN HA . . 6.070 4.520 2.159 5.422 . 0 0 "[ . 1 . 2 . 3 ]" 1
428 1 31 ARG QD 1 41 GLN HE22 . . 6.880 5.334 3.968 6.185 . 0 0 "[ . 1 . 2 . 3 ]" 1
429 1 31 ARG QG 1 32 ARG H . . 6.380 3.752 2.399 4.169 . 0 0 "[ . 1 . 2 . 3 ]" 1
430 1 31 ARG QG 1 41 GLN H . . 5.760 4.648 4.000 5.184 . 0 0 "[ . 1 . 2 . 3 ]" 1
431 1 31 ARG QG 1 41 GLN HA . . 4.330 2.752 2.064 3.666 . 0 0 "[ . 1 . 2 . 3 ]" 1
432 1 31 ARG QG 1 41 GLN HE22 . . 6.320 4.040 3.270 5.206 . 0 0 "[ . 1 . 2 . 3 ]" 1
433 1 31 ARG QG 1 41 GLN QG . . 6.970 2.436 1.894 5.242 . 0 0 "[ . 1 . 2 . 3 ]" 1
434 1 31 ARG HG2 1 41 GLN HE21 . . 7.250 3.415 2.101 5.053 . 0 0 "[ . 1 . 2 . 3 ]" 1
435 1 31 ARG HG2 1 41 GLN HE22 . . 7.250 4.311 3.395 6.201 . 0 0 "[ . 1 . 2 . 3 ]" 1
436 1 31 ARG HG3 1 41 GLN HE21 . . 7.250 4.229 2.570 6.314 . 0 0 "[ . 1 . 2 . 3 ]" 1
437 1 31 ARG HG3 1 41 GLN HE22 . . 7.250 5.158 4.196 6.218 . 0 0 "[ . 1 . 2 . 3 ]" 1
438 1 32 ARG H 1 32 ARG HB2 . . 3.980 3.038 2.513 3.393 . 0 0 "[ . 1 . 2 . 3 ]" 1
439 1 32 ARG H 1 32 ARG QB . . 3.650 2.484 2.288 2.644 . 0 0 "[ . 1 . 2 . 3 ]" 1
440 1 32 ARG H 1 32 ARG HB3 . . 3.980 2.702 2.419 3.076 . 0 0 "[ . 1 . 2 . 3 ]" 1
441 1 32 ARG H 1 33 LEU H . . 5.500 4.334 4.014 4.453 . 0 0 "[ . 1 . 2 . 3 ]" 1
442 1 32 ARG H 1 33 LEU HA . . 5.220 4.775 4.507 4.965 . 0 0 "[ . 1 . 2 . 3 ]" 1
443 1 32 ARG HA 1 32 ARG HD2 . . 5.330 3.484 3.101 3.777 . 0 0 "[ . 1 . 2 . 3 ]" 1
444 1 32 ARG HA 1 32 ARG HD3 . . 5.330 2.434 2.031 3.557 . 0 0 "[ . 1 . 2 . 3 ]" 1
445 1 32 ARG HA 1 32 ARG QG . . 3.850 2.821 2.266 3.245 . 0 0 "[ . 1 . 2 . 3 ]" 1
446 1 32 ARG HA 1 33 LEU H . . 3.220 2.257 2.080 2.346 . 0 0 "[ . 1 . 2 . 3 ]" 1
447 1 32 ARG HA 1 33 LEU HG . . 3.780 3.709 3.373 3.886 0.106 6 0 "[ . 1 . 2 . 3 ]" 1
448 1 32 ARG HA 1 38 LEU HA . . 3.330 2.826 2.143 3.281 . 0 0 "[ . 1 . 2 . 3 ]" 1
449 1 32 ARG HA 1 38 LEU QB . . 5.920 4.177 2.661 5.208 . 0 0 "[ . 1 . 2 . 3 ]" 1
450 1 32 ARG HA 1 39 PHE H . . 4.350 3.755 3.447 4.275 . 0 0 "[ . 1 . 2 . 3 ]" 1
451 1 32 ARG QD 1 33 LEU HG . . 4.170 3.506 3.232 3.753 . 0 0 "[ . 1 . 2 . 3 ]" 1
452 1 32 ARG QD 1 36 MET H . . 6.340 3.439 2.972 3.826 . 0 0 "[ . 1 . 2 . 3 ]" 1
453 1 32 ARG QD 1 37 HIS H . . 6.050 3.119 2.370 4.563 . 0 0 "[ . 1 . 2 . 3 ]" 1
454 1 32 ARG HD2 1 33 LEU HA . . 4.660 4.347 3.640 4.747 0.087 22 0 "[ . 1 . 2 . 3 ]" 1
455 1 32 ARG HD2 1 33 LEU HG . . 4.380 4.433 4.310 4.497 0.117 27 0 "[ . 1 . 2 . 3 ]" 1
456 1 32 ARG HD2 1 36 MET HA . . 4.010 3.042 2.019 4.051 0.041 11 0 "[ . 1 . 2 . 3 ]" 1
457 1 32 ARG HD3 1 33 LEU HA . . 4.660 4.664 4.438 4.736 0.076 12 0 "[ . 1 . 2 . 3 ]" 1
458 1 32 ARG HD3 1 33 LEU HG . . 4.380 3.680 3.319 4.078 . 0 0 "[ . 1 . 2 . 3 ]" 1
459 1 32 ARG HD3 1 36 MET HA . . 4.010 3.157 2.331 3.920 . 0 0 "[ . 1 . 2 . 3 ]" 1
460 1 32 ARG QG 1 33 LEU H . . 6.380 3.213 2.672 3.980 . 0 0 "[ . 1 . 2 . 3 ]" 1
461 1 32 ARG QG 1 36 MET HA . . 6.120 4.282 3.844 4.684 . 0 0 "[ . 1 . 2 . 3 ]" 1
462 1 33 LEU H 1 33 LEU HG . . 5.500 2.064 1.964 2.258 . 0 0 "[ . 1 . 2 . 3 ]" 1
463 1 33 LEU H 1 34 PRO QD . . 5.990 4.353 4.291 4.443 . 0 0 "[ . 1 . 2 . 3 ]" 1
464 1 33 LEU H 1 35 CYS H . . 5.440 4.827 4.592 5.135 . 0 0 "[ . 1 . 2 . 3 ]" 1
465 1 33 LEU H 1 38 LEU HA . . 4.650 4.095 2.844 4.680 0.030 22 0 "[ . 1 . 2 . 3 ]" 1
466 1 33 LEU H 1 39 PHE H . . 5.320 5.017 3.945 5.344 0.024 10 0 "[ . 1 . 2 . 3 ]" 1
467 1 33 LEU H 1 61 ILE MG . . 6.340 5.337 5.276 5.395 . 0 0 "[ . 1 . 2 . 3 ]" 1
468 1 33 LEU HA 1 34 PRO HD2 . . 3.400 2.853 2.632 3.044 . 0 0 "[ . 1 . 2 . 3 ]" 1
469 1 33 LEU HA 1 34 PRO QD . . 3.200 2.227 2.109 2.346 . 0 0 "[ . 1 . 2 . 3 ]" 1
470 1 33 LEU HA 1 34 PRO HD3 . . 3.400 2.326 2.216 2.479 . 0 0 "[ . 1 . 2 . 3 ]" 1
471 1 33 LEU HA 1 35 CYS H . . 4.830 4.369 4.184 4.719 . 0 0 "[ . 1 . 2 . 3 ]" 1
472 1 33 LEU HA 1 36 MET H . . 5.340 5.359 5.069 5.483 0.143 22 0 "[ . 1 . 2 . 3 ]" 1
473 1 33 LEU HG 1 36 MET HA . . 5.020 4.870 4.374 5.090 0.070 28 0 "[ . 1 . 2 . 3 ]" 1
474 1 33 LEU HG 1 39 PHE H . . 5.140 5.023 4.430 5.218 0.078 1 0 "[ . 1 . 2 . 3 ]" 1
475 1 34 PRO HA 1 36 MET H . . 4.340 3.351 2.973 4.114 . 0 0 "[ . 1 . 2 . 3 ]" 1
476 1 34 PRO QB 1 35 CYS H . . 4.170 3.398 3.137 3.621 . 0 0 "[ . 1 . 2 . 3 ]" 1
477 1 34 PRO QB 1 35 CYS HA . . 5.690 4.424 4.176 4.644 . 0 0 "[ . 1 . 2 . 3 ]" 1
478 1 34 PRO QB 1 36 MET H . . 6.020 4.509 4.327 5.197 . 0 0 "[ . 1 . 2 . 3 ]" 1
479 1 34 PRO QB 1 61 ILE MG . . 5.930 4.293 4.129 4.413 . 0 0 "[ . 1 . 2 . 3 ]" 1
480 1 34 PRO HB2 1 35 CYS H . . 4.580 3.559 3.239 3.837 . 0 0 "[ . 1 . 2 . 3 ]" 1
481 1 34 PRO HB3 1 35 CYS H . . 4.580 4.309 4.158 4.481 . 0 0 "[ . 1 . 2 . 3 ]" 1
482 1 34 PRO QD 1 35 CYS H . . 4.180 2.639 2.207 2.880 . 0 0 "[ . 1 . 2 . 3 ]" 1
483 1 34 PRO QD 1 61 ILE HA . . 4.740 2.528 2.371 2.817 . 0 0 "[ . 1 . 2 . 3 ]" 1
484 1 34 PRO QD 1 61 ILE MD . . 5.050 3.659 3.600 3.738 . 0 0 "[ . 1 . 2 . 3 ]" 1
485 1 34 PRO HD2 1 35 CYS H . . 4.580 2.684 2.226 2.939 . 0 0 "[ . 1 . 2 . 3 ]" 1
486 1 34 PRO HD2 1 61 ILE HA . . 5.120 2.716 2.563 2.994 . 0 0 "[ . 1 . 2 . 3 ]" 1
487 1 34 PRO HD2 1 61 ILE MD . . 5.290 3.890 3.800 4.025 . 0 0 "[ . 1 . 2 . 3 ]" 1
488 1 34 PRO HD2 1 61 ILE MG . . 4.080 2.085 1.999 2.171 . 0 0 "[ . 1 . 2 . 3 ]" 1
489 1 34 PRO HD3 1 35 CYS H . . 4.580 3.913 3.638 4.123 . 0 0 "[ . 1 . 2 . 3 ]" 1
490 1 34 PRO HD3 1 61 ILE HA . . 5.120 3.031 2.677 3.519 . 0 0 "[ . 1 . 2 . 3 ]" 1
491 1 34 PRO HD3 1 61 ILE MD . . 5.290 4.456 4.410 4.491 . 0 0 "[ . 1 . 2 . 3 ]" 1
492 1 34 PRO HD3 1 61 ILE MG . . 4.080 3.408 3.299 3.463 . 0 0 "[ . 1 . 2 . 3 ]" 1
493 1 34 PRO QG 1 35 CYS H . . 5.280 2.746 2.480 2.997 . 0 0 "[ . 1 . 2 . 3 ]" 1
494 1 34 PRO QG 1 61 ILE HA . . 4.840 2.016 1.960 2.129 . 0 0 "[ . 1 . 2 . 3 ]" 1
495 1 34 PRO QG 1 61 ILE MD . . 6.380 4.771 4.728 4.792 . 0 0 "[ . 1 . 2 . 3 ]" 1
496 1 34 PRO QG 1 61 ILE MG . . 5.320 2.496 2.308 2.658 . 0 0 "[ . 1 . 2 . 3 ]" 1
497 1 34 PRO HG2 1 61 ILE HA . . 5.050 2.506 2.307 2.892 . 0 0 "[ . 1 . 2 . 3 ]" 1
498 1 34 PRO HG2 1 61 ILE MG . . 5.500 2.561 2.354 2.730 . 0 0 "[ . 1 . 2 . 3 ]" 1
499 1 34 PRO HG3 1 61 ILE HA . . 5.050 2.134 2.054 2.340 . 0 0 "[ . 1 . 2 . 3 ]" 1
500 1 34 PRO HG3 1 61 ILE MG . . 5.500 3.460 3.205 3.653 . 0 0 "[ . 1 . 2 . 3 ]" 1
501 1 35 CYS H 1 35 CYS HB2 . . 3.870 2.856 2.232 3.607 . 0 0 "[ . 1 . 2 . 3 ]" 1
502 1 35 CYS H 1 35 CYS QB . . 3.690 2.234 2.040 2.600 . 0 0 "[ . 1 . 2 . 3 ]" 1
503 1 35 CYS H 1 35 CYS HB3 . . 3.870 2.396 2.109 2.670 . 0 0 "[ . 1 . 2 . 3 ]" 1
504 1 35 CYS H 1 36 MET H . . 3.270 3.056 2.616 3.256 . 0 0 "[ . 1 . 2 . 3 ]" 1
505 1 35 CYS H 1 37 HIS H . . 4.500 4.190 3.699 4.560 0.060 1 0 "[ . 1 . 2 . 3 ]" 1
506 1 35 CYS H 1 59 VAL QG . . 6.510 4.002 3.359 4.366 . 0 0 "[ . 1 . 2 . 3 ]" 1
507 1 35 CYS H 1 61 ILE MG . . 5.300 3.233 2.983 3.500 . 0 0 "[ . 1 . 2 . 3 ]" 1
508 1 35 CYS HA 1 35 CYS HB2 . . 2.980 2.427 2.291 2.597 . 0 0 "[ . 1 . 2 . 3 ]" 1
509 1 35 CYS HA 1 35 CYS HB3 . . 2.980 2.853 2.439 3.023 0.043 30 0 "[ . 1 . 2 . 3 ]" 1
510 1 35 CYS HA 1 36 MET HG2 . . 5.200 4.096 2.906 5.229 0.029 3 0 "[ . 1 . 2 . 3 ]" 1
511 1 35 CYS HA 1 36 MET QG . . 4.880 3.597 2.856 4.336 . 0 0 "[ . 1 . 2 . 3 ]" 1
512 1 35 CYS HA 1 36 MET HG3 . . 5.200 4.444 3.080 5.260 0.060 7 0 "[ . 1 . 2 . 3 ]" 1
513 1 35 CYS HA 1 37 HIS H . . 5.080 4.809 4.340 5.150 0.070 16 0 "[ . 1 . 2 . 3 ]" 1
514 1 35 CYS HA 1 59 VAL QG . . 5.930 3.534 2.746 4.175 . 0 0 "[ . 1 . 2 . 3 ]" 1
515 1 35 CYS QB 1 36 MET H . . 5.560 3.798 2.518 4.095 . 0 0 "[ . 1 . 2 . 3 ]" 1
516 1 35 CYS QB 1 59 VAL HB . . 4.430 2.821 2.078 3.980 . 0 0 "[ . 1 . 2 . 3 ]" 1
517 1 35 CYS QB 1 59 VAL QG . . 5.480 2.694 1.807 3.600 . 0 0 "[ . 1 . 2 . 3 ]" 1
518 1 35 CYS HB2 1 59 VAL HB . . 4.900 3.207 2.167 4.936 0.036 9 0 "[ . 1 . 2 . 3 ]" 1
519 1 35 CYS HB2 1 59 VAL MG1 . . 7.230 3.710 2.448 5.113 . 0 0 "[ . 1 . 2 . 3 ]" 1
520 1 35 CYS HB2 1 59 VAL MG2 . . 7.230 3.343 1.940 5.030 . 0 0 "[ . 1 . 2 . 3 ]" 1
521 1 35 CYS HB3 1 59 VAL HB . . 4.900 3.869 2.244 5.005 0.105 10 0 "[ . 1 . 2 . 3 ]" 1
522 1 35 CYS HB3 1 59 VAL MG1 . . 7.230 4.334 1.937 5.829 . 0 0 "[ . 1 . 2 . 3 ]" 1
523 1 35 CYS HB3 1 59 VAL MG2 . . 7.230 4.007 1.897 5.548 . 0 0 "[ . 1 . 2 . 3 ]" 1
524 1 36 MET H 1 36 MET HA . . 2.920 2.250 2.147 2.593 . 0 0 "[ . 1 . 2 . 3 ]" 1
525 1 36 MET H 1 36 MET HG2 . . 4.770 2.954 2.350 3.787 . 0 0 "[ . 1 . 2 . 3 ]" 1
526 1 36 MET H 1 36 MET QG . . 4.500 2.802 2.173 3.599 . 0 0 "[ . 1 . 2 . 3 ]" 1
527 1 36 MET H 1 36 MET HG3 . . 4.770 3.689 2.491 4.867 0.097 26 0 "[ . 1 . 2 . 3 ]" 1
528 1 36 MET H 1 37 HIS H . . 3.570 2.956 2.241 3.281 . 0 0 "[ . 1 . 2 . 3 ]" 1
529 1 36 MET H 1 37 HIS HA . . 5.500 5.456 4.692 5.607 0.107 1 0 "[ . 1 . 2 . 3 ]" 1
530 1 36 MET HA 1 36 MET QG . . 4.020 2.745 2.191 3.373 . 0 0 "[ . 1 . 2 . 3 ]" 1
531 1 37 HIS H 1 37 HIS HB2 . . 3.880 2.397 2.072 2.784 . 0 0 "[ . 1 . 2 . 3 ]" 1
532 1 37 HIS H 1 37 HIS QB . . 3.570 2.355 2.054 2.721 . 0 0 "[ . 1 . 2 . 3 ]" 1
533 1 37 HIS H 1 37 HIS HB3 . . 3.880 3.478 3.153 3.832 . 0 0 "[ . 1 . 2 . 3 ]" 1
534 1 37 HIS HA 1 38 LEU H . . 2.970 2.356 2.171 2.618 . 0 0 "[ . 1 . 2 . 3 ]" 1
535 1 37 HIS HA 1 38 LEU HA . . 4.900 4.483 4.401 4.561 . 0 0 "[ . 1 . 2 . 3 ]" 1
536 1 37 HIS QB 1 38 LEU H . . 4.400 3.104 2.241 3.957 . 0 0 "[ . 1 . 2 . 3 ]" 1
537 1 37 HIS HB2 1 38 LEU H . . 4.670 4.277 3.610 4.713 0.043 11 0 "[ . 1 . 2 . 3 ]" 1
538 1 37 HIS HB3 1 38 LEU H . . 4.670 3.208 2.262 4.255 . 0 0 "[ . 1 . 2 . 3 ]" 1
539 1 38 LEU H 1 38 LEU HB2 . . 3.890 3.159 2.385 3.901 0.011 26 0 "[ . 1 . 2 . 3 ]" 1
540 1 38 LEU H 1 38 LEU QB . . 3.730 2.486 2.174 3.210 . 0 0 "[ . 1 . 2 . 3 ]" 1
541 1 38 LEU H 1 38 LEU HB3 . . 3.890 2.661 2.259 3.415 . 0 0 "[ . 1 . 2 . 3 ]" 1
542 1 38 LEU HA 1 39 PHE H . . 3.180 2.210 2.127 2.267 . 0 0 "[ . 1 . 2 . 3 ]" 1
543 1 38 LEU HA 1 39 PHE QB . . 5.810 4.302 4.060 4.435 . 0 0 "[ . 1 . 2 . 3 ]" 1
544 1 38 LEU QB 1 39 PHE H . . 4.620 3.698 2.799 4.013 . 0 0 "[ . 1 . 2 . 3 ]" 1
545 1 38 LEU HB2 1 39 PHE H . . 4.910 4.121 2.860 4.710 . 0 0 "[ . 1 . 2 . 3 ]" 1
546 1 38 LEU HB3 1 39 PHE H . . 4.910 4.339 3.884 4.608 . 0 0 "[ . 1 . 2 . 3 ]" 1
547 1 38 LEU QD 1 39 PHE H . . 6.090 3.423 2.476 4.298 . 0 0 "[ . 1 . 2 . 3 ]" 1
548 1 39 PHE H 1 44 VAL QG . . 7.060 3.956 3.317 4.464 . 0 0 "[ . 1 . 2 . 3 ]" 1
549 1 39 PHE HA 1 44 VAL HB . . 4.940 4.650 4.364 4.898 . 0 0 "[ . 1 . 2 . 3 ]" 1
550 1 39 PHE QB 1 40 HIS H . . 4.400 2.599 2.241 2.922 . 0 0 "[ . 1 . 2 . 3 ]" 1
551 1 39 PHE QB 1 43 CYS QB . . 5.380 3.281 3.043 3.658 . 0 0 "[ . 1 . 2 . 3 ]" 1
552 1 39 PHE QB 1 44 VAL H . . 5.590 3.486 3.081 3.728 . 0 0 "[ . 1 . 2 . 3 ]" 1
553 1 39 PHE QB 1 44 VAL QG . . 3.870 2.438 2.126 2.609 . 0 0 "[ . 1 . 2 . 3 ]" 1
554 1 39 PHE HB2 1 40 HIS H . . 4.730 3.814 3.333 4.084 . 0 0 "[ . 1 . 2 . 3 ]" 1
555 1 39 PHE HB2 1 43 CYS HB2 . . 6.740 4.945 4.454 5.457 . 0 0 "[ . 1 . 2 . 3 ]" 1
556 1 39 PHE HB2 1 43 CYS HB3 . . 6.740 6.102 5.571 6.660 . 0 0 "[ . 1 . 2 . 3 ]" 1
557 1 39 PHE HB2 1 44 VAL HB . . 3.880 2.366 2.095 2.697 . 0 0 "[ . 1 . 2 . 3 ]" 1
558 1 39 PHE HB2 1 44 VAL MG1 . . 4.570 3.224 2.579 3.663 . 0 0 "[ . 1 . 2 . 3 ]" 1
559 1 39 PHE HB2 1 44 VAL MG2 . . 4.570 2.683 2.235 2.998 . 0 0 "[ . 1 . 2 . 3 ]" 1
560 1 39 PHE HB3 1 40 HIS H . . 4.730 2.646 2.264 2.993 . 0 0 "[ . 1 . 2 . 3 ]" 1
561 1 39 PHE HB3 1 43 CYS HB2 . . 6.740 3.450 3.178 3.867 . 0 0 "[ . 1 . 2 . 3 ]" 1
562 1 39 PHE HB3 1 43 CYS HB3 . . 6.740 4.510 4.074 4.972 . 0 0 "[ . 1 . 2 . 3 ]" 1
563 1 39 PHE HB3 1 44 VAL HB . . 3.880 2.362 2.208 2.628 . 0 0 "[ . 1 . 2 . 3 ]" 1
564 1 39 PHE HB3 1 44 VAL MG1 . . 4.570 3.826 3.716 3.885 . 0 0 "[ . 1 . 2 . 3 ]" 1
565 1 39 PHE HB3 1 44 VAL MG2 . . 4.570 3.375 3.034 3.787 . 0 0 "[ . 1 . 2 . 3 ]" 1
566 1 40 HIS H 1 43 CYS HB2 . . 4.990 3.026 2.580 3.494 . 0 0 "[ . 1 . 2 . 3 ]" 1
567 1 40 HIS H 1 43 CYS QB . . 4.790 2.979 2.553 3.430 . 0 0 "[ . 1 . 2 . 3 ]" 1
568 1 40 HIS H 1 43 CYS HB3 . . 4.990 4.471 4.061 4.986 . 0 0 "[ . 1 . 2 . 3 ]" 1
569 1 40 HIS HA 1 41 GLN H . . 3.200 2.324 2.215 2.461 . 0 0 "[ . 1 . 2 . 3 ]" 1
570 1 40 HIS HA 1 41 GLN HA . . 4.660 4.427 4.315 4.542 . 0 0 "[ . 1 . 2 . 3 ]" 1
571 1 40 HIS HA 1 41 GLN QB . . 6.000 4.134 4.012 4.365 . 0 0 "[ . 1 . 2 . 3 ]" 1
572 1 40 HIS HA 1 42 VAL H . . 5.060 4.350 3.844 4.820 . 0 0 "[ . 1 . 2 . 3 ]" 1
573 1 40 HIS QB 1 41 GLN H . . 4.250 2.670 2.392 3.206 . 0 0 "[ . 1 . 2 . 3 ]" 1
574 1 40 HIS QB 1 42 VAL H . . 4.650 2.613 2.082 3.279 . 0 0 "[ . 1 . 2 . 3 ]" 1
575 1 40 HIS QB 1 42 VAL HB . . 5.700 3.357 2.875 4.179 . 0 0 "[ . 1 . 2 . 3 ]" 1
576 1 40 HIS QB 1 43 CYS H . . 3.670 2.225 1.991 2.444 . 0 0 "[ . 1 . 2 . 3 ]" 1
577 1 40 HIS QB 1 43 CYS QB . . 4.440 2.215 2.015 2.476 . 0 0 "[ . 1 . 2 . 3 ]" 1
578 1 40 HIS HB2 1 41 GLN H . . 4.580 3.957 3.727 4.395 . 0 0 "[ . 1 . 2 . 3 ]" 1
579 1 40 HIS HB2 1 43 CYS H . . 3.860 2.589 2.193 3.467 . 0 0 "[ . 1 . 2 . 3 ]" 1
580 1 40 HIS HB2 1 43 CYS HB2 . . 5.600 2.262 2.061 2.526 . 0 0 "[ . 1 . 2 . 3 ]" 1
581 1 40 HIS HB2 1 43 CYS HB3 . . 5.600 3.730 3.505 3.968 . 0 0 "[ . 1 . 2 . 3 ]" 1
582 1 40 HIS HB3 1 41 GLN H . . 4.580 2.716 2.420 3.294 . 0 0 "[ . 1 . 2 . 3 ]" 1
583 1 40 HIS HB3 1 43 CYS H . . 3.860 2.587 2.011 3.095 . 0 0 "[ . 1 . 2 . 3 ]" 1
584 1 40 HIS HB3 1 43 CYS HB2 . . 5.600 3.626 2.553 4.145 . 0 0 "[ . 1 . 2 . 3 ]" 1
585 1 40 HIS HB3 1 43 CYS HB3 . . 5.600 5.088 4.085 5.600 0.000 6 0 "[ . 1 . 2 . 3 ]" 1
586 1 41 GLN H 1 41 GLN HB2 . . 3.480 2.229 1.991 2.527 . 0 0 "[ . 1 . 2 . 3 ]" 1
587 1 41 GLN H 1 41 GLN HB3 . . 3.480 2.912 2.489 3.500 0.020 8 0 "[ . 1 . 2 . 3 ]" 1
588 1 41 GLN H 1 41 GLN HG2 . . 4.730 4.398 3.882 4.649 . 0 0 "[ . 1 . 2 . 3 ]" 1
589 1 41 GLN H 1 41 GLN QG . . 4.520 3.626 2.646 4.039 . 0 0 "[ . 1 . 2 . 3 ]" 1
590 1 41 GLN H 1 41 GLN HG3 . . 4.730 3.911 2.691 4.456 . 0 0 "[ . 1 . 2 . 3 ]" 1
591 1 41 GLN H 1 42 VAL H . . 4.030 2.855 2.538 3.049 . 0 0 "[ . 1 . 2 . 3 ]" 1
592 1 41 GLN H 1 43 CYS H . . 5.310 4.519 3.993 5.021 . 0 0 "[ . 1 . 2 . 3 ]" 1
593 1 41 GLN HA 1 41 GLN HG2 . . 4.000 2.939 2.161 3.753 . 0 0 "[ . 1 . 2 . 3 ]" 1
594 1 41 GLN HA 1 41 GLN HG3 . . 4.000 2.383 2.206 2.714 . 0 0 "[ . 1 . 2 . 3 ]" 1
595 1 41 GLN HA 1 44 VAL H . . 4.470 3.912 3.668 4.253 . 0 0 "[ . 1 . 2 . 3 ]" 1
596 1 41 GLN HA 1 44 VAL QG . . 6.500 2.347 2.177 2.763 . 0 0 "[ . 1 . 2 . 3 ]" 1
597 1 41 GLN HA 1 45 ASP H . . 4.820 4.189 3.730 4.655 . 0 0 "[ . 1 . 2 . 3 ]" 1
598 1 41 GLN QB 1 42 VAL H . . 4.110 2.789 2.053 3.724 . 0 0 "[ . 1 . 2 . 3 ]" 1
599 1 41 GLN HB2 1 42 VAL H . . 4.350 3.691 2.495 4.396 0.046 27 0 "[ . 1 . 2 . 3 ]" 1
600 1 41 GLN HB3 1 42 VAL H . . 4.350 2.996 2.066 4.214 . 0 0 "[ . 1 . 2 . 3 ]" 1
601 1 41 GLN QG 1 42 VAL H . . 5.170 4.051 3.352 4.631 . 0 0 "[ . 1 . 2 . 3 ]" 1
602 1 41 GLN QG 1 42 VAL HA . . 6.130 4.582 3.602 5.501 . 0 0 "[ . 1 . 2 . 3 ]" 1
603 1 41 GLN HG2 1 42 VAL H . . 5.500 4.451 3.459 5.239 . 0 0 "[ . 1 . 2 . 3 ]" 1
604 1 41 GLN HG3 1 42 VAL H . . 5.500 4.734 3.688 5.263 . 0 0 "[ . 1 . 2 . 3 ]" 1
605 1 42 VAL H 1 42 VAL HB . . 3.330 2.589 2.356 3.051 . 0 0 "[ . 1 . 2 . 3 ]" 1
606 1 42 VAL H 1 43 CYS H . . 4.150 2.706 2.171 3.029 . 0 0 "[ . 1 . 2 . 3 ]" 1
607 1 42 VAL H 1 44 VAL H . . 5.420 3.981 2.955 4.528 . 0 0 "[ . 1 . 2 . 3 ]" 1
608 1 42 VAL HA 1 45 ASP H . . 4.360 3.418 3.021 3.664 . 0 0 "[ . 1 . 2 . 3 ]" 1
609 1 42 VAL HA 1 45 ASP HB2 . . 4.290 3.031 2.448 3.695 . 0 0 "[ . 1 . 2 . 3 ]" 1
610 1 42 VAL HA 1 45 ASP QB . . 3.930 2.616 2.285 3.177 . 0 0 "[ . 1 . 2 . 3 ]" 1
611 1 42 VAL HA 1 45 ASP HB3 . . 4.290 3.103 2.327 4.324 0.034 31 0 "[ . 1 . 2 . 3 ]" 1
612 1 42 VAL HA 1 46 GLN H . . 5.500 4.284 3.870 4.963 . 0 0 "[ . 1 . 2 . 3 ]" 1
613 1 42 VAL HB 1 43 CYS H . . 4.440 2.520 2.166 3.908 . 0 0 "[ . 1 . 2 . 3 ]" 1
614 1 42 VAL HB 1 44 VAL H . . 5.500 5.150 4.853 5.577 0.077 22 0 "[ . 1 . 2 . 3 ]" 1
615 1 43 CYS H 1 43 CYS HB2 . . 3.840 2.661 2.573 2.737 . 0 0 "[ . 1 . 2 . 3 ]" 1
616 1 43 CYS H 1 43 CYS HB3 . . 3.840 3.569 3.502 3.620 . 0 0 "[ . 1 . 2 . 3 ]" 1
617 1 43 CYS H 1 44 VAL H . . 3.990 2.955 2.839 3.144 . 0 0 "[ . 1 . 2 . 3 ]" 1
618 1 43 CYS H 1 44 VAL QG . . 7.060 4.494 4.206 4.746 . 0 0 "[ . 1 . 2 . 3 ]" 1
619 1 43 CYS H 1 45 ASP H . . 5.010 4.117 4.018 4.335 . 0 0 "[ . 1 . 2 . 3 ]" 1
620 1 43 CYS HA 1 45 ASP H . . 5.060 4.291 4.051 4.421 . 0 0 "[ . 1 . 2 . 3 ]" 1
621 1 43 CYS HA 1 46 GLN H . . 4.990 4.034 3.663 4.542 . 0 0 "[ . 1 . 2 . 3 ]" 1
622 1 43 CYS HA 1 46 GLN QG . . 6.130 4.562 3.834 5.215 . 0 0 "[ . 1 . 2 . 3 ]" 1
623 1 43 CYS HA 1 47 ALA MB . . 5.700 4.588 4.453 4.755 . 0 0 "[ . 1 . 2 . 3 ]" 1
624 1 43 CYS QB 1 44 VAL QG . . 7.940 3.945 3.723 4.129 . 0 0 "[ . 1 . 2 . 3 ]" 1
625 1 43 CYS HB2 1 44 VAL H . . 3.970 2.493 2.199 2.709 . 0 0 "[ . 1 . 2 . 3 ]" 1
626 1 43 CYS HB3 1 44 VAL H . . 3.970 3.673 3.385 3.849 . 0 0 "[ . 1 . 2 . 3 ]" 1
627 1 44 VAL H 1 44 VAL HB . . 3.920 2.375 2.280 2.442 . 0 0 "[ . 1 . 2 . 3 ]" 1
628 1 44 VAL H 1 44 VAL MG1 . . 4.400 2.445 2.226 2.674 . 0 0 "[ . 1 . 2 . 3 ]" 1
629 1 44 VAL H 1 44 VAL QG . . 3.860 2.412 2.209 2.612 . 0 0 "[ . 1 . 2 . 3 ]" 1
630 1 44 VAL H 1 44 VAL MG2 . . 4.400 3.714 3.662 3.742 . 0 0 "[ . 1 . 2 . 3 ]" 1
631 1 44 VAL H 1 45 ASP H . . 3.450 2.611 2.498 2.762 . 0 0 "[ . 1 . 2 . 3 ]" 1
632 1 44 VAL H 1 45 ASP QB . . 6.380 4.428 4.199 4.621 . 0 0 "[ . 1 . 2 . 3 ]" 1
633 1 44 VAL H 1 47 ALA MB . . 5.500 4.242 4.107 4.334 . 0 0 "[ . 1 . 2 . 3 ]" 1
634 1 44 VAL HA 1 44 VAL QG . . 3.080 2.102 2.052 2.263 . 0 0 "[ . 1 . 2 . 3 ]" 1
635 1 44 VAL HA 1 44 VAL MG2 . . 3.560 2.133 2.077 2.319 . 0 0 "[ . 1 . 2 . 3 ]" 1
636 1 44 VAL HA 1 47 ALA H . . 4.370 2.865 2.646 3.131 . 0 0 "[ . 1 . 2 . 3 ]" 1
637 1 44 VAL HA 1 47 ALA MB . . 3.620 1.949 1.901 2.009 . 0 0 "[ . 1 . 2 . 3 ]" 1
638 1 44 VAL HA 1 48 LEU H . . 4.650 3.550 3.367 3.724 . 0 0 "[ . 1 . 2 . 3 ]" 1
639 1 44 VAL HA 1 48 LEU QB . . 6.220 4.483 4.246 4.677 . 0 0 "[ . 1 . 2 . 3 ]" 1
640 1 44 VAL HB 1 45 ASP H . . 4.410 4.112 3.927 4.198 . 0 0 "[ . 1 . 2 . 3 ]" 1
641 1 44 VAL HB 1 47 ALA MB . . 5.490 3.917 3.792 4.106 . 0 0 "[ . 1 . 2 . 3 ]" 1
642 1 44 VAL QG 1 45 ASP H . . 4.110 2.617 2.395 2.747 . 0 0 "[ . 1 . 2 . 3 ]" 1
643 1 44 VAL QG 1 45 ASP HA . . 4.540 3.245 3.056 3.388 . 0 0 "[ . 1 . 2 . 3 ]" 1
644 1 44 VAL QG 1 47 ALA H . . 7.060 3.913 3.808 4.086 . 0 0 "[ . 1 . 2 . 3 ]" 1
645 1 44 VAL QG 1 47 ALA MB . . 4.690 2.356 2.221 2.678 . 0 0 "[ . 1 . 2 . 3 ]" 1
646 1 44 VAL QG 1 48 LEU QB . . 5.080 2.816 2.523 3.059 . 0 0 "[ . 1 . 2 . 3 ]" 1
647 1 44 VAL MG1 1 45 ASP H . . 4.770 2.645 2.411 2.788 . 0 0 "[ . 1 . 2 . 3 ]" 1
648 1 44 VAL MG1 1 45 ASP HA . . 5.230 3.353 3.149 3.533 . 0 0 "[ . 1 . 2 . 3 ]" 1
649 1 44 VAL MG1 1 47 ALA MB . . 5.700 3.984 3.957 4.009 . 0 0 "[ . 1 . 2 . 3 ]" 1
650 1 44 VAL MG1 1 48 LEU H . . 5.240 4.345 4.234 4.420 . 0 0 "[ . 1 . 2 . 3 ]" 1
651 1 44 VAL MG1 1 48 LEU HB2 . . 6.880 4.013 3.834 4.202 . 0 0 "[ . 1 . 2 . 3 ]" 1
652 1 44 VAL MG1 1 48 LEU HB3 . . 6.880 4.561 4.217 4.872 . 0 0 "[ . 1 . 2 . 3 ]" 1
653 1 44 VAL MG2 1 45 ASP H . . 4.920 4.153 4.119 4.196 . 0 0 "[ . 1 . 2 . 3 ]" 1
654 1 44 VAL MG2 1 45 ASP HA . . 5.530 4.334 4.129 4.538 . 0 0 "[ . 1 . 2 . 3 ]" 1
655 1 44 VAL MG2 1 47 ALA MB . . 5.320 2.374 2.232 2.720 . 0 0 "[ . 1 . 2 . 3 ]" 1
656 1 44 VAL MG2 1 48 LEU H . . 5.240 3.282 3.045 3.485 . 0 0 "[ . 1 . 2 . 3 ]" 1
657 1 44 VAL MG2 1 48 LEU HB2 . . 6.880 2.976 2.615 3.338 . 0 0 "[ . 1 . 2 . 3 ]" 1
658 1 44 VAL MG2 1 48 LEU HB3 . . 6.880 4.148 3.732 4.518 . 0 0 "[ . 1 . 2 . 3 ]" 1
659 1 45 ASP H 1 45 ASP HB2 . . 3.680 2.517 2.132 2.918 . 0 0 "[ . 1 . 2 . 3 ]" 1
660 1 45 ASP H 1 45 ASP QB . . 3.400 2.256 2.103 2.331 . 0 0 "[ . 1 . 2 . 3 ]" 1
661 1 45 ASP H 1 45 ASP HB3 . . 3.680 2.740 2.273 3.595 . 0 0 "[ . 1 . 2 . 3 ]" 1
662 1 45 ASP H 1 46 GLN H . . 4.020 2.778 2.648 2.850 . 0 0 "[ . 1 . 2 . 3 ]" 1
663 1 45 ASP HA 1 48 LEU H . . 4.300 3.808 3.595 4.005 . 0 0 "[ . 1 . 2 . 3 ]" 1
664 1 45 ASP HA 1 48 LEU HB2 . . 4.630 4.101 3.799 4.394 . 0 0 "[ . 1 . 2 . 3 ]" 1
665 1 45 ASP HA 1 48 LEU QB . . 3.940 3.133 2.855 3.349 . 0 0 "[ . 1 . 2 . 3 ]" 1
666 1 45 ASP HA 1 48 LEU HB3 . . 4.430 3.254 2.951 3.511 . 0 0 "[ . 1 . 2 . 3 ]" 1
667 1 45 ASP HB2 1 46 GLN H . . 5.000 3.470 2.320 3.805 . 0 0 "[ . 1 . 2 . 3 ]" 1
668 1 45 ASP HB3 1 46 GLN H . . 5.000 2.385 2.179 3.329 . 0 0 "[ . 1 . 2 . 3 ]" 1
669 1 46 GLN H 1 46 GLN QB . . 3.820 2.405 2.203 2.539 . 0 0 "[ . 1 . 2 . 3 ]" 1
670 1 46 GLN H 1 46 GLN HG2 . . 4.780 2.866 2.213 3.587 . 0 0 "[ . 1 . 2 . 3 ]" 1
671 1 46 GLN H 1 46 GLN HG3 . . 4.780 3.068 2.217 3.721 . 0 0 "[ . 1 . 2 . 3 ]" 1
672 1 46 GLN HA 1 46 GLN HG2 . . 4.120 2.619 2.265 3.014 . 0 0 "[ . 1 . 2 . 3 ]" 1
673 1 46 GLN HA 1 46 GLN QG . . 3.910 2.545 2.227 2.898 . 0 0 "[ . 1 . 2 . 3 ]" 1
674 1 46 GLN HA 1 46 GLN HG3 . . 4.120 3.483 3.000 3.822 . 0 0 "[ . 1 . 2 . 3 ]" 1
675 1 46 GLN HA 1 47 ALA MB . . 5.850 4.952 4.931 4.973 . 0 0 "[ . 1 . 2 . 3 ]" 1
676 1 46 GLN HA 1 48 LEU H . . 5.100 4.629 4.299 4.895 . 0 0 "[ . 1 . 2 . 3 ]" 1
677 1 46 GLN HA 1 49 ILE H . . 4.640 3.489 3.294 3.653 . 0 0 "[ . 1 . 2 . 3 ]" 1
678 1 46 GLN HA 1 49 ILE HB . . 4.590 4.689 4.654 4.727 0.137 20 0 "[ . 1 . 2 . 3 ]" 1
679 1 46 GLN HA 1 49 ILE MD . . 3.900 3.112 2.838 3.254 . 0 0 "[ . 1 . 2 . 3 ]" 1
680 1 46 GLN HA 1 49 ILE HG12 . . 4.260 2.269 2.188 2.380 . 0 0 "[ . 1 . 2 . 3 ]" 1
681 1 46 GLN HA 1 49 ILE HG13 . . 4.260 2.178 2.119 2.245 . 0 0 "[ . 1 . 2 . 3 ]" 1
682 1 46 GLN HA 1 49 ILE MG . . 4.730 3.433 3.191 3.670 . 0 0 "[ . 1 . 2 . 3 ]" 1
683 1 46 GLN QB 1 47 ALA HA . . 5.620 4.084 3.984 4.172 . 0 0 "[ . 1 . 2 . 3 ]" 1
684 1 46 GLN QB 1 47 ALA MB . . 5.700 4.150 3.994 4.239 . 0 0 "[ . 1 . 2 . 3 ]" 1
685 1 46 GLN QG 1 47 ALA H . . 6.380 4.347 4.196 4.502 . 0 0 "[ . 1 . 2 . 3 ]" 1
686 1 47 ALA H 1 47 ALA MB . . 3.210 2.209 2.190 2.224 . 0 0 "[ . 1 . 2 . 3 ]" 1
687 1 47 ALA H 1 48 LEU H . . 3.480 2.851 2.753 2.952 . 0 0 "[ . 1 . 2 . 3 ]" 1
688 1 47 ALA H 1 48 LEU QB . . 5.840 4.416 4.228 4.534 . 0 0 "[ . 1 . 2 . 3 ]" 1
689 1 47 ALA H 1 49 ILE H . . 5.080 4.351 4.176 4.520 . 0 0 "[ . 1 . 2 . 3 ]" 1
690 1 47 ALA HA 1 49 ILE H . . 4.960 4.855 4.675 4.969 0.009 1 0 "[ . 1 . 2 . 3 ]" 1
691 1 47 ALA HA 1 49 ILE QG . . 6.240 4.722 4.524 4.851 . 0 0 "[ . 1 . 2 . 3 ]" 1
692 1 47 ALA MB 1 48 LEU H . . 3.680 2.180 2.020 2.400 . 0 0 "[ . 1 . 2 . 3 ]" 1
693 1 47 ALA MB 1 48 LEU QB . . 6.100 3.440 3.306 3.596 . 0 0 "[ . 1 . 2 . 3 ]" 1
694 1 48 LEU H 1 48 LEU QB . . 3.560 2.125 2.086 2.156 . 0 0 "[ . 1 . 2 . 3 ]" 1
695 1 48 LEU H 1 49 ILE H . . 3.710 2.906 2.741 3.019 . 0 0 "[ . 1 . 2 . 3 ]" 1
696 1 48 LEU H 1 61 ILE MD . . 4.780 4.010 3.983 4.043 . 0 0 "[ . 1 . 2 . 3 ]" 1
697 1 48 LEU QB 1 49 ILE H . . 5.480 2.492 2.287 2.629 . 0 0 "[ . 1 . 2 . 3 ]" 1
698 1 48 LEU QB 1 61 ILE MD . . 4.560 2.616 2.443 2.956 . 0 0 "[ . 1 . 2 . 3 ]" 1
699 1 49 ILE H 1 49 ILE HB . . 3.620 3.639 3.620 3.650 0.030 9 0 "[ . 1 . 2 . 3 ]" 1
700 1 49 ILE H 1 49 ILE MD . . 5.160 3.972 3.850 4.040 . 0 0 "[ . 1 . 2 . 3 ]" 1
701 1 49 ILE H 1 49 ILE HG12 . . 4.190 3.340 3.197 3.489 . 0 0 "[ . 1 . 2 . 3 ]" 1
702 1 49 ILE H 1 49 ILE QG . . 4.030 2.426 2.247 2.526 . 0 0 "[ . 1 . 2 . 3 ]" 1
703 1 49 ILE H 1 49 ILE HG13 . . 4.190 2.492 2.292 2.611 . 0 0 "[ . 1 . 2 . 3 ]" 1
704 1 49 ILE H 1 49 ILE MG . . 4.330 2.122 2.057 2.188 . 0 0 "[ . 1 . 2 . 3 ]" 1
705 1 49 ILE H 1 50 THR H . . 4.670 2.752 2.647 2.812 . 0 0 "[ . 1 . 2 . 3 ]" 1
706 1 49 ILE HA 1 49 ILE MD . . 4.370 3.654 3.594 3.679 . 0 0 "[ . 1 . 2 . 3 ]" 1
707 1 49 ILE HA 1 49 ILE QG . . 3.880 3.435 3.399 3.466 . 0 0 "[ . 1 . 2 . 3 ]" 1
708 1 49 ILE HA 1 49 ILE MG . . 3.500 2.375 2.323 2.398 . 0 0 "[ . 1 . 2 . 3 ]" 1
709 1 49 ILE HB 1 50 THR H . . 4.390 4.050 3.886 4.149 . 0 0 "[ . 1 . 2 . 3 ]" 1
710 1 49 ILE HB 1 50 THR HA . . 5.080 4.728 4.628 4.818 . 0 0 "[ . 1 . 2 . 3 ]" 1
711 1 49 ILE QG 1 50 THR H . . 5.760 2.170 2.005 2.291 . 0 0 "[ . 1 . 2 . 3 ]" 1
712 1 49 ILE QG 1 50 THR HA . . 4.320 3.903 3.875 3.926 . 0 0 "[ . 1 . 2 . 3 ]" 1
713 1 49 ILE QG 1 51 ASN H . . 6.380 4.678 4.574 4.906 . 0 0 "[ . 1 . 2 . 3 ]" 1
714 1 49 ILE MG 1 50 THR H . . 5.190 4.014 3.942 4.112 . 0 0 "[ . 1 . 2 . 3 ]" 1
715 1 50 THR H 1 51 ASN H . . 4.970 2.671 2.524 2.825 . 0 0 "[ . 1 . 2 . 3 ]" 1
716 1 50 THR HB 1 51 ASN H . . 4.710 2.726 2.447 2.975 . 0 0 "[ . 1 . 2 . 3 ]" 1
717 1 51 ASN HA 1 52 LYS QG . . 5.890 4.110 3.360 4.762 . 0 0 "[ . 1 . 2 . 3 ]" 1
718 1 51 ASN QB 1 53 LYS H . . 4.970 3.375 2.679 4.102 . 0 0 "[ . 1 . 2 . 3 ]" 1
719 1 52 LYS HA 1 52 LYS HD2 . . 4.750 4.220 3.076 4.763 0.013 28 0 "[ . 1 . 2 . 3 ]" 1
720 1 52 LYS HA 1 52 LYS QD . . 4.490 3.817 2.510 4.096 . 0 0 "[ . 1 . 2 . 3 ]" 1
721 1 52 LYS HA 1 52 LYS HD3 . . 4.750 4.443 2.661 4.833 0.083 3 0 "[ . 1 . 2 . 3 ]" 1
722 1 52 LYS HA 1 52 LYS QG . . 3.900 2.860 2.192 3.426 . 0 0 "[ . 1 . 2 . 3 ]" 1
723 1 52 LYS HA 1 61 ILE MG . . 5.180 4.360 4.321 4.400 . 0 0 "[ . 1 . 2 . 3 ]" 1
724 1 52 LYS QB 1 53 LYS H . . 5.130 3.733 2.113 4.105 . 0 0 "[ . 1 . 2 . 3 ]" 1
725 1 52 LYS QB 1 61 ILE MD . . 5.190 3.632 3.349 3.880 . 0 0 "[ . 1 . 2 . 3 ]" 1
726 1 52 LYS QB 1 61 ILE QG . . 5.250 2.448 2.168 2.824 . 0 0 "[ . 1 . 2 . 3 ]" 1
727 1 52 LYS HB2 1 53 LYS H . . 5.410 4.154 2.147 4.599 . 0 0 "[ . 1 . 2 . 3 ]" 1
728 1 52 LYS HB2 1 61 ILE HG12 . . 6.210 3.493 2.396 4.243 . 0 0 "[ . 1 . 2 . 3 ]" 1
729 1 52 LYS HB2 1 61 ILE HG13 . . 6.210 3.927 2.422 5.292 . 0 0 "[ . 1 . 2 . 3 ]" 1
730 1 52 LYS HB3 1 53 LYS H . . 5.410 4.306 3.148 4.734 . 0 0 "[ . 1 . 2 . 3 ]" 1
731 1 52 LYS HB3 1 61 ILE HG12 . . 6.210 3.264 2.235 4.344 . 0 0 "[ . 1 . 2 . 3 ]" 1
732 1 52 LYS HB3 1 61 ILE HG13 . . 6.210 3.423 2.560 4.605 . 0 0 "[ . 1 . 2 . 3 ]" 1
733 1 53 LYS H 1 54 CYS H . . 5.260 4.282 4.108 4.631 . 0 0 "[ . 1 . 2 . 3 ]" 1
734 1 53 LYS H 1 60 ASP HA . . 5.500 4.589 3.404 5.090 . 0 0 "[ . 1 . 2 . 3 ]" 1
735 1 53 LYS H 1 61 ILE MG . . 5.500 4.102 3.522 4.641 . 0 0 "[ . 1 . 2 . 3 ]" 1
736 1 53 LYS HA 1 54 CYS H . . 3.380 2.213 2.070 2.372 . 0 0 "[ . 1 . 2 . 3 ]" 1
737 1 53 LYS HA 1 59 VAL H . . 5.500 4.743 3.821 5.533 0.033 10 0 "[ . 1 . 2 . 3 ]" 1
738 1 53 LYS HA 1 60 ASP H . . 4.810 4.608 4.276 4.812 0.002 30 0 "[ . 1 . 2 . 3 ]" 1
739 1 53 LYS HA 1 60 ASP HA . . 2.830 2.372 1.960 2.840 0.010 3 0 "[ . 1 . 2 . 3 ]" 1
740 1 53 LYS HA 1 61 ILE H . . 4.040 3.115 2.601 3.401 . 0 0 "[ . 1 . 2 . 3 ]" 1
741 1 53 LYS HA 1 61 ILE MD . . 5.420 4.033 3.510 4.372 . 0 0 "[ . 1 . 2 . 3 ]" 1
742 1 53 LYS HA 1 61 ILE HG12 . . 5.210 3.319 2.851 3.652 . 0 0 "[ . 1 . 2 . 3 ]" 1
743 1 53 LYS HA 1 61 ILE QG . . 5.020 3.276 2.824 3.593 . 0 0 "[ . 1 . 2 . 3 ]" 1
744 1 53 LYS HA 1 61 ILE HG13 . . 5.210 5.042 4.571 5.335 0.125 28 0 "[ . 1 . 2 . 3 ]" 1
745 1 53 LYS HA 1 61 ILE MG . . 4.370 2.640 2.105 3.079 . 0 0 "[ . 1 . 2 . 3 ]" 1
746 1 53 LYS QB 1 54 CYS H . . 4.850 2.991 2.457 3.355 . 0 0 "[ . 1 . 2 . 3 ]" 1
747 1 53 LYS QB 1 58 ARG H . . 5.940 4.505 3.689 5.320 . 0 0 "[ . 1 . 2 . 3 ]" 1
748 1 53 LYS QB 1 58 ARG HA . . 4.250 2.888 2.410 3.453 . 0 0 "[ . 1 . 2 . 3 ]" 1
749 1 53 LYS QB 1 60 ASP HA . . 5.490 3.235 2.122 4.286 . 0 0 "[ . 1 . 2 . 3 ]" 1
750 1 54 CYS H 1 54 CYS QB . . 3.610 2.152 1.980 2.283 . 0 0 "[ . 1 . 2 . 3 ]" 1
751 1 54 CYS H 1 58 ARG H . . 5.380 4.306 3.504 5.322 . 0 0 "[ . 1 . 2 . 3 ]" 1
752 1 54 CYS H 1 58 ARG HA . . 4.730 4.183 3.693 4.746 0.016 28 0 "[ . 1 . 2 . 3 ]" 1
753 1 54 CYS H 1 59 VAL H . . 4.420 3.451 2.575 4.430 0.010 26 0 "[ . 1 . 2 . 3 ]" 1
754 1 54 CYS H 1 59 VAL HB . . 5.140 4.292 3.649 5.255 0.115 9 0 "[ . 1 . 2 . 3 ]" 1
755 1 54 CYS H 1 60 ASP HA . . 4.460 3.951 3.542 4.393 . 0 0 "[ . 1 . 2 . 3 ]" 1
756 1 54 CYS H 1 61 ILE H . . 4.950 4.567 4.164 4.978 0.028 30 0 "[ . 1 . 2 . 3 ]" 1
757 1 54 CYS H 1 61 ILE MD . . 5.360 4.129 3.925 4.408 . 0 0 "[ . 1 . 2 . 3 ]" 1
758 1 54 CYS H 1 61 ILE MG . . 4.880 2.495 2.246 2.817 . 0 0 "[ . 1 . 2 . 3 ]" 1
759 1 54 CYS HA 1 61 ILE MD . . 4.460 3.651 3.232 3.763 . 0 0 "[ . 1 . 2 . 3 ]" 1
760 1 54 CYS HA 1 61 ILE MG . . 4.740 3.322 2.807 3.710 . 0 0 "[ . 1 . 2 . 3 ]" 1
761 1 54 CYS QB 1 58 ARG H . . 4.700 3.234 2.374 4.225 . 0 0 "[ . 1 . 2 . 3 ]" 1
762 1 54 CYS QB 1 59 VAL H . . 4.560 3.036 2.347 4.097 . 0 0 "[ . 1 . 2 . 3 ]" 1
763 1 54 CYS QB 1 61 ILE MD . . 6.380 4.076 3.350 4.749 . 0 0 "[ . 1 . 2 . 3 ]" 1
764 1 54 CYS QB 1 61 ILE MG . . 5.700 2.607 2.129 3.187 . 0 0 "[ . 1 . 2 . 3 ]" 1
765 1 54 CYS HB2 1 58 ARG H . . 5.500 4.817 3.360 5.541 0.041 7 0 "[ . 1 . 2 . 3 ]" 1
766 1 54 CYS HB3 1 58 ARG H . . 5.500 3.299 2.388 4.535 . 0 0 "[ . 1 . 2 . 3 ]" 1
767 1 58 ARG H 1 59 VAL H . . 4.160 2.606 1.949 3.243 . 0 0 "[ . 1 . 2 . 3 ]" 1
768 1 58 ARG HA 1 58 ARG QG . . 4.020 2.286 2.110 2.599 . 0 0 "[ . 1 . 2 . 3 ]" 1
769 1 59 VAL H 1 59 VAL HB . . 3.410 2.795 2.359 3.509 0.099 9 0 "[ . 1 . 2 . 3 ]" 1
770 1 59 VAL H 1 59 VAL QG . . 4.050 2.229 1.767 2.876 . 0 0 "[ . 1 . 2 . 3 ]" 1
771 1 59 VAL H 1 60 ASP H . . 4.730 4.517 4.270 4.661 . 0 0 "[ . 1 . 2 . 3 ]" 1
772 1 59 VAL HA 1 60 ASP H . . 2.860 2.258 2.137 2.337 . 0 0 "[ . 1 . 2 . 3 ]" 1
773 1 59 VAL HA 1 60 ASP HA . . 4.930 4.382 4.286 4.468 . 0 0 "[ . 1 . 2 . 3 ]" 1
774 1 59 VAL HA 1 60 ASP HB2 . . 4.920 4.405 4.228 4.656 . 0 0 "[ . 1 . 2 . 3 ]" 1
775 1 59 VAL HA 1 60 ASP QB . . 4.560 4.064 3.974 4.127 . 0 0 "[ . 1 . 2 . 3 ]" 1
776 1 59 VAL HA 1 60 ASP HB3 . . 4.920 4.799 4.495 5.020 0.100 28 0 "[ . 1 . 2 . 3 ]" 1
777 1 59 VAL HB 1 60 ASP H . . 3.880 3.793 2.996 3.952 0.072 6 0 "[ . 1 . 2 . 3 ]" 1
778 1 59 VAL QG 1 60 ASP H . . 5.360 2.526 2.031 3.593 . 0 0 "[ . 1 . 2 . 3 ]" 1
779 1 59 VAL QG 1 60 ASP HA . . 6.880 4.159 3.786 4.626 . 0 0 "[ . 1 . 2 . 3 ]" 1
780 1 59 VAL QG 1 60 ASP QB . . 7.790 3.657 3.125 4.679 . 0 0 "[ . 1 . 2 . 3 ]" 1
781 1 60 ASP H 1 60 ASP HB2 . . 3.530 2.469 2.279 2.673 . 0 0 "[ . 1 . 2 . 3 ]" 1
782 1 60 ASP H 1 60 ASP QB . . 3.290 2.219 2.148 2.364 . 0 0 "[ . 1 . 2 . 3 ]" 1
783 1 60 ASP H 1 60 ASP HB3 . . 3.530 2.554 2.284 2.786 . 0 0 "[ . 1 . 2 . 3 ]" 1
784 1 60 ASP H 1 61 ILE H . . 4.810 4.605 4.546 4.649 . 0 0 "[ . 1 . 2 . 3 ]" 1
785 1 60 ASP HA 1 61 ILE H . . 2.980 2.267 2.167 2.390 . 0 0 "[ . 1 . 2 . 3 ]" 1
786 1 60 ASP HA 1 61 ILE MG . . 4.920 3.444 3.097 3.626 . 0 0 "[ . 1 . 2 . 3 ]" 1
787 1 60 ASP HA 1 62 GLU H . . 4.780 3.846 3.702 4.097 . 0 0 "[ . 1 . 2 . 3 ]" 1
788 1 60 ASP QB 1 61 ILE H . . 4.200 3.526 3.353 3.671 . 0 0 "[ . 1 . 2 . 3 ]" 1
789 1 60 ASP QB 1 62 GLU H . . 4.590 4.006 3.763 4.137 . 0 0 "[ . 1 . 2 . 3 ]" 1
790 1 60 ASP HB2 1 61 ILE H . . 4.500 4.127 3.946 4.281 . 0 0 "[ . 1 . 2 . 3 ]" 1
791 1 60 ASP HB2 1 62 GLU H . . 4.990 4.874 4.626 5.040 0.050 11 0 "[ . 1 . 2 . 3 ]" 1
792 1 60 ASP HB3 1 61 ILE H . . 4.500 3.838 3.558 4.040 . 0 0 "[ . 1 . 2 . 3 ]" 1
793 1 60 ASP HB3 1 62 GLU H . . 4.990 4.278 3.938 4.608 . 0 0 "[ . 1 . 2 . 3 ]" 1
794 1 61 ILE H 1 61 ILE HB . . 3.700 3.775 3.728 3.806 0.106 21 0 "[ . 1 . 2 . 3 ]" 1
795 1 61 ILE H 1 61 ILE MD . . 4.770 3.832 3.728 3.939 . 0 0 "[ . 1 . 2 . 3 ]" 1
796 1 61 ILE H 1 61 ILE HG12 . . 3.800 2.223 2.115 2.401 . 0 0 "[ . 1 . 2 . 3 ]" 1
797 1 61 ILE H 1 61 ILE QG . . 3.640 2.175 2.085 2.286 . 0 0 "[ . 1 . 2 . 3 ]" 1
798 1 61 ILE H 1 61 ILE HG13 . . 3.800 3.117 2.803 3.443 . 0 0 "[ . 1 . 2 . 3 ]" 1
799 1 61 ILE H 1 61 ILE MG . . 3.610 2.732 2.470 2.850 . 0 0 "[ . 1 . 2 . 3 ]" 1
800 1 61 ILE H 1 62 GLU H . . 3.660 1.960 1.931 1.999 . 0 0 "[ . 1 . 2 . 3 ]" 1
801 1 61 ILE H 1 62 GLU HA . . 4.730 4.568 4.489 4.660 . 0 0 "[ . 1 . 2 . 3 ]" 1
802 1 61 ILE HA 1 61 ILE MG . . 3.300 2.337 2.237 2.455 . 0 0 "[ . 1 . 2 . 3 ]" 1
803 1 61 ILE HA 1 62 GLU H . . 3.560 3.406 3.332 3.455 . 0 0 "[ . 1 . 2 . 3 ]" 1
804 1 61 ILE HA 1 62 GLU QB . . 5.850 5.023 4.902 5.120 . 0 0 "[ . 1 . 2 . 3 ]" 1
805 1 61 ILE HB 1 61 ILE MD . . 3.730 2.265 2.163 2.396 . 0 0 "[ . 1 . 2 . 3 ]" 1
806 1 61 ILE HB 1 62 GLU H . . 4.700 4.192 4.118 4.307 . 0 0 "[ . 1 . 2 . 3 ]" 1
807 1 61 ILE HB 1 62 GLU HA . . 5.190 4.879 4.731 5.068 . 0 0 "[ . 1 . 2 . 3 ]" 1
808 1 61 ILE MD 1 61 ILE MG . . 3.260 2.039 1.971 2.102 . 0 0 "[ . 1 . 2 . 3 ]" 1
809 1 61 ILE MD 1 62 GLU H . . 5.100 4.376 4.318 4.418 . 0 0 "[ . 1 . 2 . 3 ]" 1
810 1 61 ILE MD 1 62 GLU HA . . 5.750 4.760 4.615 4.825 . 0 0 "[ . 1 . 2 . 3 ]" 1
811 1 61 ILE QG 1 62 GLU H . . 4.460 2.704 2.591 2.758 . 0 0 "[ . 1 . 2 . 3 ]" 1
812 1 61 ILE HG12 1 62 GLU H . . 4.700 3.128 2.743 3.501 . 0 0 "[ . 1 . 2 . 3 ]" 1
813 1 61 ILE HG13 1 62 GLU H . . 4.700 2.988 2.783 3.217 . 0 0 "[ . 1 . 2 . 3 ]" 1
814 1 61 ILE MG 1 62 GLU H . . 4.900 4.077 3.921 4.146 . 0 0 "[ . 1 . 2 . 3 ]" 1
815 1 62 GLU H 1 62 GLU HB2 . . 3.670 2.326 2.008 2.612 . 0 0 "[ . 1 . 2 . 3 ]" 1
816 1 62 GLU H 1 62 GLU QB . . 3.370 2.178 1.973 2.290 . 0 0 "[ . 1 . 2 . 3 ]" 1
817 1 62 GLU H 1 62 GLU HB3 . . 3.670 2.708 2.334 3.297 . 0 0 "[ . 1 . 2 . 3 ]" 1
818 1 63 ALA H 1 63 ALA MB . . 3.430 2.591 2.192 2.924 . 0 0 "[ . 1 . 2 . 3 ]" 1
819 1 63 ALA H 1 64 GLN H . . 4.650 3.997 2.580 4.691 0.041 27 0 "[ . 1 . 2 . 3 ]" 1
820 1 63 ALA HA 1 64 GLN H . . 3.250 2.502 2.167 3.289 0.039 29 0 "[ . 1 . 2 . 3 ]" 1
821 1 63 ALA MB 1 64 GLN H . . 4.400 2.876 1.948 3.727 . 0 0 "[ . 1 . 2 . 3 ]" 1
822 1 63 ALA MB 1 64 GLN QB . . 6.040 3.926 3.389 4.377 . 0 0 "[ . 1 . 2 . 3 ]" 1
823 1 64 GLN H 1 64 GLN QB . . 3.890 2.649 2.073 3.408 . 0 0 "[ . 1 . 2 . 3 ]" 1
824 1 64 GLN HA 1 65 LEU H . . 3.070 2.354 2.139 2.845 . 0 0 "[ . 1 . 2 . 3 ]" 1
825 1 64 GLN HB2 1 65 LEU H . . 4.970 4.374 3.446 4.711 . 0 0 "[ . 1 . 2 . 3 ]" 1
826 1 64 GLN HB3 1 65 LEU H . . 4.970 3.968 2.171 4.590 . 0 0 "[ . 1 . 2 . 3 ]" 1
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