NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
647394 |
6xwi   |
34481 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6xwi
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 501
_Distance_constraint_stats_list.Viol_count 786
_Distance_constraint_stats_list.Viol_total 1152.443
_Distance_constraint_stats_list.Viol_max 0.877
_Distance_constraint_stats_list.Viol_rms 0.0318
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0733
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 CYS 3.606 0.232 17 0 "[ . 1 . 2]"
1 5 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 3.731 0.232 17 0 "[ . 1 . 2]"
1 7 GLN 4.614 0.214 11 0 "[ . 1 . 2]"
1 8 LYS 0.297 0.118 17 0 "[ . 1 . 2]"
1 9 ASN 0.147 0.047 12 0 "[ . 1 . 2]"
1 10 TYR 6.446 0.206 3 0 "[ . 1 . 2]"
1 11 ILE 2.114 0.134 15 0 "[ . 1 . 2]"
1 12 ASP 0.012 0.005 17 0 "[ . 1 . 2]"
1 13 LYS 1.178 0.083 16 0 "[ . 1 . 2]"
1 14 GLN 3.564 0.289 13 0 "[ . 1 . 2]"
1 15 LEU 6.522 0.877 15 4 "[ - *1 + *]"
1 16 LEU 5.389 0.877 15 4 "[ - *1 + *]"
1 17 PRO 0.182 0.083 16 0 "[ . 1 . 2]"
1 18 ILE 1.275 0.584 9 1 "[ . +1 . 2]"
1 19 VAL 3.982 0.584 9 1 "[ . +1 . 2]"
1 20 ASN 0.684 0.229 5 0 "[ . 1 . 2]"
1 21 LYS 1.326 0.105 5 0 "[ . 1 . 2]"
1 22 ALA 0.029 0.014 5 0 "[ . 1 . 2]"
1 23 GLY 3.409 0.179 8 0 "[ . 1 . 2]"
1 24 CYS 3.409 0.179 8 0 "[ . 1 . 2]"
1 26 ARG 2.453 0.140 1 0 "[ . 1 . 2]"
1 27 PRO 0.457 0.077 15 0 "[ . 1 . 2]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLU 2.322 0.154 16 0 "[ . 1 . 2]"
1 30 VAL 3.428 0.378 18 0 "[ . 1 . 2]"
1 31 GLU 0.732 0.420 16 0 "[ . 1 . 2]"
1 32 GLU 0.049 0.011 15 0 "[ . 1 . 2]"
1 33 ARG 0.541 0.420 16 0 "[ . 1 . 2]"
1 34 ILE 4.308 0.193 15 0 "[ . 1 . 2]"
1 35 ARG 3.475 0.146 12 0 "[ . 1 . 2]"
1 36 ARG 0.305 0.247 4 0 "[ . 1 . 2]"
1 37 ALA 1.100 0.247 4 0 "[ . 1 . 2]"
1 38 LEU 5.794 0.206 3 0 "[ . 1 . 2]"
1 39 LYS 1.691 0.211 18 0 "[ . 1 . 2]"
1 40 LYS 0.733 0.211 18 0 "[ . 1 . 2]"
1 41 MET 0.663 0.053 1 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ASP 1.373 0.075 14 0 "[ . 1 . 2]"
1 44 THR 1.753 0.075 14 0 "[ . 1 . 2]"
1 45 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 PHE 3.735 0.116 18 0 "[ . 1 . 2]"
1 48 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ILE 5.820 0.504 17 1 "[ . 1 . + 2]"
1 51 LEU 3.166 0.146 12 0 "[ . 1 . 2]"
1 52 LYS 0.474 0.183 6 0 "[ . 1 . 2]"
1 53 GLY 0.016 0.016 17 0 "[ . 1 . 2]"
1 54 LEU 2.754 0.504 17 1 "[ . 1 . + 2]"
1 55 LYS 0.028 0.012 12 0 "[ . 1 . 2]"
1 56 GLU 1.957 0.193 15 0 "[ . 1 . 2]"
1 57 ILE 1.376 0.234 3 0 "[ . 1 . 2]"
1 58 LYS 0.394 0.148 5 0 "[ . 1 . 2]"
1 63 TRP 2.276 0.214 5 0 "[ . 1 . 2]"
1 64 LEU 0.103 0.044 10 0 "[ . 1 . 2]"
1 65 GLU 0.267 0.068 20 0 "[ . 1 . 2]"
1 66 HIS 0.249 0.077 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 PRO QG 1 4 CYS H . . 3.680 2.321 1.834 2.666 . 0 0 "[ . 1 . 2]" 1
2 1 4 CYS HA 1 6 LYS H . . 3.650 3.331 3.310 3.358 . 0 0 "[ . 1 . 2]" 1
3 1 4 CYS HA 1 7 GLN HE21 . . 3.890 2.496 2.402 2.603 . 0 0 "[ . 1 . 2]" 1
4 1 4 CYS HA 1 7 GLN HE22 . . 3.840 2.455 2.063 2.665 . 0 0 "[ . 1 . 2]" 1
5 1 4 CYS HB2 1 50 ILE MG . . 5.500 1.965 1.917 1.983 . 0 0 "[ . 1 . 2]" 1
6 1 4 CYS HB3 1 6 LYS QG . . 3.960 4.140 4.117 4.192 0.232 17 0 "[ . 1 . 2]" 1
7 1 4 CYS HB3 1 50 ILE HB . . 5.060 4.603 4.416 5.066 0.006 17 0 "[ . 1 . 2]" 1
8 1 4 CYS HB3 1 50 ILE MG . . 3.970 2.459 2.302 2.854 . 0 0 "[ . 1 . 2]" 1
9 1 5 ASP H 1 5 ASP QB . . 3.110 2.220 2.070 2.513 . 0 0 "[ . 1 . 2]" 1
10 1 5 ASP H 1 6 LYS H . . 3.440 2.574 2.534 2.605 . 0 0 "[ . 1 . 2]" 1
11 1 5 ASP H 1 50 ILE MG . . 5.230 3.874 3.651 4.131 . 0 0 "[ . 1 . 2]" 1
12 1 5 ASP HA 1 7 GLN QB . . 4.960 4.565 4.422 4.619 . 0 0 "[ . 1 . 2]" 1
13 1 5 ASP HA 1 8 LYS QB . . 5.470 2.969 2.750 3.282 . 0 0 "[ . 1 . 2]" 1
14 1 5 ASP HA 1 8 LYS QG . . 5.500 3.834 2.991 4.864 . 0 0 "[ . 1 . 2]" 1
15 1 5 ASP QB 1 6 LYS HA . . 5.500 4.174 3.818 4.603 . 0 0 "[ . 1 . 2]" 1
16 1 5 ASP QB 1 6 LYS QG . . 5.500 4.641 4.301 5.029 . 0 0 "[ . 1 . 2]" 1
17 1 6 LYS H 1 6 LYS QB . . 2.840 2.588 2.565 2.656 . 0 0 "[ . 1 . 2]" 1
18 1 6 LYS QB 1 6 LYS QG . . 2.500 2.050 2.029 2.081 . 0 0 "[ . 1 . 2]" 1
19 1 6 LYS QB 1 7 GLN H . . 3.610 3.491 3.458 3.525 . 0 0 "[ . 1 . 2]" 1
20 1 6 LYS QB 1 7 GLN HE21 . . 5.500 4.767 4.713 4.829 . 0 0 "[ . 1 . 2]" 1
21 1 6 LYS QB 1 7 GLN HE22 . . 4.120 4.038 3.953 4.140 0.020 6 0 "[ . 1 . 2]" 1
22 1 6 LYS QB 1 10 TYR QB . . 4.620 4.291 3.982 4.730 0.110 17 0 "[ . 1 . 2]" 1
23 1 6 LYS QG 1 7 GLN H . . 3.930 2.168 2.045 2.384 . 0 0 "[ . 1 . 2]" 1
24 1 6 LYS QG 1 7 GLN HE21 . . 4.580 2.705 2.664 2.822 . 0 0 "[ . 1 . 2]" 1
25 1 6 LYS QG 1 7 GLN HE22 . . 4.610 1.931 1.832 2.071 . 0 0 "[ . 1 . 2]" 1
26 1 7 GLN H 1 7 GLN QG . . 3.660 3.573 3.488 3.625 . 0 0 "[ . 1 . 2]" 1
27 1 7 GLN HA 1 7 GLN HE21 . . 5.500 3.894 3.817 3.965 . 0 0 "[ . 1 . 2]" 1
28 1 7 GLN HA 1 7 GLN QG . . 3.520 2.333 2.298 2.367 . 0 0 "[ . 1 . 2]" 1
29 1 7 GLN HA 1 9 ASN H . . 4.680 4.353 4.163 4.448 . 0 0 "[ . 1 . 2]" 1
30 1 7 GLN HA 1 9 ASN QB . . 5.500 5.209 4.993 5.343 . 0 0 "[ . 1 . 2]" 1
31 1 7 GLN HA 1 10 TYR QB . . 5.500 2.464 2.325 2.673 . 0 0 "[ . 1 . 2]" 1
32 1 7 GLN HA 1 10 TYR QD . . 4.180 3.267 3.046 3.638 . 0 0 "[ . 1 . 2]" 1
33 1 7 GLN QB 1 7 GLN HE21 . . 3.680 1.873 1.844 1.901 . 0 0 "[ . 1 . 2]" 1
34 1 7 GLN QB 1 8 LYS HA . . 4.890 3.890 3.875 3.908 . 0 0 "[ . 1 . 2]" 1
35 1 7 GLN QB 1 8 LYS QB . . 4.940 4.146 3.979 4.599 . 0 0 "[ . 1 . 2]" 1
36 1 7 GLN QB 1 47 PHE QE . . 5.500 2.326 2.092 2.507 . 0 0 "[ . 1 . 2]" 1
37 1 7 GLN QB 1 47 PHE HZ . . 5.500 4.090 3.833 4.247 . 0 0 "[ . 1 . 2]" 1
38 1 7 GLN QB 1 50 ILE MD . . 5.240 3.007 2.824 3.069 . 0 0 "[ . 1 . 2]" 1
39 1 7 GLN QB 1 50 ILE MG . . 5.500 3.376 3.204 3.764 . 0 0 "[ . 1 . 2]" 1
40 1 7 GLN HE21 1 50 ILE HB . . 5.500 5.646 5.589 5.714 0.214 11 0 "[ . 1 . 2]" 1
41 1 7 GLN HE21 1 50 ILE MD . . 5.500 5.064 4.597 5.230 . 0 0 "[ . 1 . 2]" 1
42 1 7 GLN HE22 1 7 GLN QG . . 3.750 3.440 3.434 3.452 . 0 0 "[ . 1 . 2]" 1
43 1 7 GLN QG 1 8 LYS H . . 4.670 4.645 4.627 4.656 . 0 0 "[ . 1 . 2]" 1
44 1 7 GLN QG 1 10 TYR QD . . 4.730 3.697 3.338 4.139 . 0 0 "[ . 1 . 2]" 1
45 1 7 GLN QG 1 47 PHE HB2 . . 4.320 4.195 4.046 4.342 0.022 3 0 "[ . 1 . 2]" 1
46 1 7 GLN QG 1 47 PHE HZ . . 5.500 5.453 5.139 5.604 0.104 6 0 "[ . 1 . 2]" 1
47 1 7 GLN QG 1 50 ILE MD . . 4.610 4.611 4.408 4.734 0.124 18 0 "[ . 1 . 2]" 1
48 1 8 LYS H 1 8 LYS QB . . 3.000 2.204 2.132 2.396 . 0 0 "[ . 1 . 2]" 1
49 1 8 LYS H 1 8 LYS QG . . 4.010 3.150 2.346 4.018 0.008 10 0 "[ . 1 . 2]" 1
50 1 8 LYS H 1 9 ASN H . . 4.430 2.575 2.510 2.642 . 0 0 "[ . 1 . 2]" 1
51 1 8 LYS H 1 50 ILE MD . . 4.460 3.194 2.845 3.505 . 0 0 "[ . 1 . 2]" 1
52 1 8 LYS HA 1 8 LYS QG . . 3.830 2.926 2.434 3.427 . 0 0 "[ . 1 . 2]" 1
53 1 8 LYS HA 1 11 ILE H . . 3.990 3.678 3.524 3.792 . 0 0 "[ . 1 . 2]" 1
54 1 8 LYS HA 1 11 ILE HB . . 3.500 3.211 3.007 3.353 . 0 0 "[ . 1 . 2]" 1
55 1 8 LYS HA 1 34 ILE MD . . 5.020 4.657 4.498 4.777 . 0 0 "[ . 1 . 2]" 1
56 1 8 LYS HA 1 34 ILE MG . . 4.960 3.720 3.451 4.074 . 0 0 "[ . 1 . 2]" 1
57 1 8 LYS HA 1 47 PHE HZ . . 4.420 3.546 3.109 4.215 . 0 0 "[ . 1 . 2]" 1
58 1 8 LYS HA 1 50 ILE HB . . 5.500 4.832 4.630 5.618 0.118 17 0 "[ . 1 . 2]" 1
59 1 8 LYS HA 1 50 ILE MD . . 3.700 2.478 2.116 3.206 . 0 0 "[ . 1 . 2]" 1
60 1 8 LYS QB 1 9 ASN H . . 4.040 2.983 2.531 3.446 . 0 0 "[ . 1 . 2]" 1
61 1 8 LYS QB 1 50 ILE MD . . 4.780 2.259 1.834 3.373 . 0 0 "[ . 1 . 2]" 1
62 1 8 LYS QG 1 9 ASN QB . . 5.500 3.898 2.857 5.547 0.047 12 0 "[ . 1 . 2]" 1
63 1 9 ASN H 1 9 ASN QB . . 3.190 2.204 2.075 2.276 . 0 0 "[ . 1 . 2]" 1
64 1 9 ASN HA 1 9 ASN HD22 . . 5.500 4.275 3.327 4.865 . 0 0 "[ . 1 . 2]" 1
65 1 9 ASN HA 1 12 ASP H . . 4.080 3.501 3.433 3.593 . 0 0 "[ . 1 . 2]" 1
66 1 9 ASN HA 1 12 ASP HB2 . . 5.300 3.633 3.545 3.748 . 0 0 "[ . 1 . 2]" 1
67 1 9 ASN HA 1 12 ASP HB3 . . 3.610 2.532 2.406 2.643 . 0 0 "[ . 1 . 2]" 1
68 1 9 ASN QB 1 10 TYR H . . 3.420 2.710 2.602 2.820 . 0 0 "[ . 1 . 2]" 1
69 1 10 TYR H 1 10 TYR QB . . 2.760 2.162 2.149 2.174 . 0 0 "[ . 1 . 2]" 1
70 1 10 TYR H 1 10 TYR QD . . 3.970 4.049 3.995 4.084 0.114 13 0 "[ . 1 . 2]" 1
71 1 10 TYR H 1 11 ILE H . . 3.650 2.636 2.566 2.694 . 0 0 "[ . 1 . 2]" 1
72 1 10 TYR HA 1 10 TYR QE . . 5.500 4.840 4.814 4.885 . 0 0 "[ . 1 . 2]" 1
73 1 10 TYR HA 1 14 GLN QB . . 5.370 4.558 4.155 4.714 . 0 0 "[ . 1 . 2]" 1
74 1 10 TYR QB 1 11 ILE H . . 3.390 2.747 2.717 2.789 . 0 0 "[ . 1 . 2]" 1
75 1 10 TYR QB 1 11 ILE MD . . 5.500 4.012 3.904 4.115 . 0 0 "[ . 1 . 2]" 1
76 1 10 TYR QD 1 11 ILE H . . 4.200 3.250 3.145 3.311 . 0 0 "[ . 1 . 2]" 1
77 1 10 TYR QD 1 11 ILE HA . . 4.000 3.832 3.717 3.920 . 0 0 "[ . 1 . 2]" 1
78 1 10 TYR QD 1 11 ILE MD . . 3.620 2.367 2.242 2.491 . 0 0 "[ . 1 . 2]" 1
79 1 10 TYR QD 1 14 GLN QB . . 4.420 4.227 3.845 4.378 . 0 0 "[ . 1 . 2]" 1
80 1 10 TYR QD 1 37 ALA MB . . 4.830 4.868 4.841 4.907 0.077 16 0 "[ . 1 . 2]" 1
81 1 10 TYR QD 1 38 LEU QD . . 5.500 5.666 5.633 5.706 0.206 3 0 "[ . 1 . 2]" 1
82 1 10 TYR QE 1 11 ILE HA . . 4.400 4.370 4.265 4.426 0.026 12 0 "[ . 1 . 2]" 1
83 1 10 TYR QE 1 11 ILE MD . . 3.780 1.989 1.926 2.043 . 0 0 "[ . 1 . 2]" 1
84 1 10 TYR QE 1 13 LYS QG . . 5.090 5.100 5.026 5.166 0.076 14 0 "[ . 1 . 2]" 1
85 1 10 TYR QE 1 14 GLN QB . . 5.500 4.106 3.858 4.271 . 0 0 "[ . 1 . 2]" 1
86 1 10 TYR QE 1 14 GLN HG2 . . 4.630 4.079 3.836 4.447 . 0 0 "[ . 1 . 2]" 1
87 1 10 TYR QE 1 37 ALA MB . . 4.020 3.963 3.852 4.055 0.035 13 0 "[ . 1 . 2]" 1
88 1 10 TYR QE 1 38 LEU HA . . 4.390 4.283 3.548 4.408 0.018 16 0 "[ . 1 . 2]" 1
89 1 11 ILE H 1 11 ILE HB . . 3.020 2.507 2.477 2.560 . 0 0 "[ . 1 . 2]" 1
90 1 11 ILE H 1 11 ILE MD . . 4.120 3.509 3.408 3.578 . 0 0 "[ . 1 . 2]" 1
91 1 11 ILE H 1 12 ASP H . . 3.560 2.450 2.427 2.470 . 0 0 "[ . 1 . 2]" 1
92 1 11 ILE H 1 13 LYS H . . 4.420 3.831 3.814 3.851 . 0 0 "[ . 1 . 2]" 1
93 1 11 ILE HA 1 14 GLN H . . 3.150 3.251 3.207 3.284 0.134 15 0 "[ . 1 . 2]" 1
94 1 11 ILE HA 1 14 GLN QB . . 4.740 2.542 2.419 2.803 . 0 0 "[ . 1 . 2]" 1
95 1 11 ILE HA 1 15 LEU H . . 4.410 4.103 4.001 4.194 . 0 0 "[ . 1 . 2]" 1
96 1 11 ILE HA 1 37 ALA MB . . 5.090 3.499 3.217 3.735 . 0 0 "[ . 1 . 2]" 1
97 1 11 ILE HB 1 12 ASP H . . 3.460 2.569 2.537 2.616 . 0 0 "[ . 1 . 2]" 1
98 1 11 ILE HB 1 12 ASP HA . . 4.830 4.229 4.155 4.267 . 0 0 "[ . 1 . 2]" 1
99 1 11 ILE HB 1 34 ILE MG . . 4.400 2.532 2.278 2.720 . 0 0 "[ . 1 . 2]" 1
100 1 11 ILE HB 1 47 PHE QE . . 5.500 3.759 3.614 3.950 . 0 0 "[ . 1 . 2]" 1
101 1 11 ILE HB 1 47 PHE HZ . . 4.120 2.782 2.542 3.093 . 0 0 "[ . 1 . 2]" 1
102 1 11 ILE HB 1 50 ILE MD . . 5.500 4.363 4.244 4.866 . 0 0 "[ . 1 . 2]" 1
103 1 11 ILE MD 1 37 ALA MB . . 3.130 1.814 1.775 1.854 . 0 0 "[ . 1 . 2]" 1
104 1 11 ILE MD 1 38 LEU H . . 3.900 3.102 2.818 3.318 . 0 0 "[ . 1 . 2]" 1
105 1 11 ILE MD 1 47 PHE QE . . 5.500 3.219 3.099 3.288 . 0 0 "[ . 1 . 2]" 1
106 1 11 ILE MD 1 47 PHE HZ . . 5.500 3.666 3.428 3.822 . 0 0 "[ . 1 . 2]" 1
107 1 12 ASP H 1 12 ASP HB2 . . 3.130 2.459 2.416 2.495 . 0 0 "[ . 1 . 2]" 1
108 1 12 ASP H 1 12 ASP HB3 . . 3.400 2.609 2.572 2.651 . 0 0 "[ . 1 . 2]" 1
109 1 12 ASP H 1 13 LYS H . . 3.640 2.622 2.603 2.657 . 0 0 "[ . 1 . 2]" 1
110 1 12 ASP H 1 14 GLN H . . 4.740 3.950 3.928 3.981 . 0 0 "[ . 1 . 2]" 1
111 1 12 ASP HA 1 15 LEU QB . . 5.500 2.746 2.639 2.931 . 0 0 "[ . 1 . 2]" 1
112 1 12 ASP HA 1 15 LEU MD1 . . 5.500 4.646 4.191 5.113 . 0 0 "[ . 1 . 2]" 1
113 1 12 ASP HA 1 34 ILE MG . . 5.260 4.225 3.809 4.607 . 0 0 "[ . 1 . 2]" 1
114 1 12 ASP HB2 1 13 LYS H . . 3.960 3.938 3.904 3.965 0.005 17 0 "[ . 1 . 2]" 1
115 1 12 ASP HB3 1 13 LYS H . . 3.830 2.809 2.781 2.845 . 0 0 "[ . 1 . 2]" 1
116 1 13 LYS H 1 13 LYS QG . . 3.750 2.379 2.319 2.444 . 0 0 "[ . 1 . 2]" 1
117 1 13 LYS H 1 14 GLN H . . 3.360 2.346 2.338 2.357 . 0 0 "[ . 1 . 2]" 1
118 1 13 LYS HA 1 14 GLN HE21 . . 5.500 5.330 5.081 5.551 0.051 10 0 "[ . 1 . 2]" 1
119 1 13 LYS HA 1 16 LEU QD . . 4.430 2.574 1.976 3.369 . 0 0 "[ . 1 . 2]" 1
120 1 13 LYS HA 1 17 PRO QD . . 4.390 3.942 3.730 4.109 . 0 0 "[ . 1 . 2]" 1
121 1 13 LYS QB 1 14 GLN H . . 3.540 3.563 3.553 3.580 0.040 13 0 "[ . 1 . 2]" 1
122 1 13 LYS QB 1 14 GLN HE21 . . 5.500 4.344 4.048 4.659 . 0 0 "[ . 1 . 2]" 1
123 1 13 LYS QB 1 17 PRO QD . . 4.830 4.788 4.667 4.913 0.083 16 0 "[ . 1 . 2]" 1
124 1 13 LYS QG 1 14 GLN HA . . 4.070 3.426 3.222 3.711 . 0 0 "[ . 1 . 2]" 1
125 1 13 LYS QG 1 14 GLN QB . . 3.750 3.251 2.746 3.435 . 0 0 "[ . 1 . 2]" 1
126 1 13 LYS QG 1 17 PRO QD . . 5.500 4.853 4.645 5.136 . 0 0 "[ . 1 . 2]" 1
127 1 14 GLN H 1 14 GLN QB . . 3.340 2.286 2.206 2.319 . 0 0 "[ . 1 . 2]" 1
128 1 14 GLN H 1 16 LEU QD . . 5.170 4.879 4.703 5.459 0.289 13 0 "[ . 1 . 2]" 1
129 1 14 GLN HA 1 14 GLN HG2 . . 4.170 2.939 2.669 3.643 . 0 0 "[ . 1 . 2]" 1
130 1 14 GLN HA 1 14 GLN HG3 . . 3.790 3.426 2.374 3.708 . 0 0 "[ . 1 . 2]" 1
131 1 14 GLN HA 1 16 LEU QD . . 5.500 5.284 4.516 5.714 0.214 16 0 "[ . 1 . 2]" 1
132 1 14 GLN HA 1 17 PRO QG . . 5.000 2.737 2.651 2.833 . 0 0 "[ . 1 . 2]" 1
133 1 14 GLN HE21 1 17 PRO QD . . 5.500 4.461 4.186 4.852 . 0 0 "[ . 1 . 2]" 1
134 1 15 LEU H 1 15 LEU QB . . 2.820 2.361 2.256 2.391 . 0 0 "[ . 1 . 2]" 1
135 1 15 LEU H 1 16 LEU H . . 3.620 2.113 2.079 2.143 . 0 0 "[ . 1 . 2]" 1
136 1 15 LEU H 1 16 LEU QD . . 4.910 4.274 3.768 4.919 0.009 13 0 "[ . 1 . 2]" 1
137 1 15 LEU H 1 17 PRO QD . . 3.960 2.860 2.824 2.909 . 0 0 "[ . 1 . 2]" 1
138 1 15 LEU HA 1 15 LEU MD1 . . 3.410 3.151 2.646 3.422 0.012 14 0 "[ . 1 . 2]" 1
139 1 15 LEU HA 1 16 LEU HB2 . . 5.500 5.642 5.373 6.377 0.877 15 4 "[ - *1 + *]" 1
140 1 15 LEU HA 1 17 PRO QD . . 2.920 2.756 2.705 2.795 . 0 0 "[ . 1 . 2]" 1
141 1 15 LEU HA 1 18 ILE H . . 4.170 3.363 3.332 3.412 . 0 0 "[ . 1 . 2]" 1
142 1 15 LEU HA 1 18 ILE MD . . 3.520 2.496 2.159 3.214 . 0 0 "[ . 1 . 2]" 1
143 1 15 LEU HA 1 18 ILE HG12 . . 5.500 2.071 1.983 2.464 . 0 0 "[ . 1 . 2]" 1
144 1 15 LEU HA 1 19 VAL HB . . 5.500 5.056 4.643 5.624 0.124 5 0 "[ . 1 . 2]" 1
145 1 15 LEU QB 1 16 LEU H . . 3.920 3.215 3.191 3.242 . 0 0 "[ . 1 . 2]" 1
146 1 15 LEU QB 1 17 PRO QD . . 5.500 3.816 3.755 3.858 . 0 0 "[ . 1 . 2]" 1
147 1 15 LEU MD1 1 18 ILE HG12 . . 4.910 3.911 2.971 4.262 . 0 0 "[ . 1 . 2]" 1
148 1 15 LEU MD1 1 30 VAL HA . . 4.650 4.558 3.682 5.028 0.378 18 0 "[ . 1 . 2]" 1
149 1 15 LEU MD1 1 33 ARG H . . 4.420 4.122 3.799 4.387 . 0 0 "[ . 1 . 2]" 1
150 1 15 LEU MD1 1 33 ARG HA . . 5.500 3.632 3.368 4.146 . 0 0 "[ . 1 . 2]" 1
151 1 15 LEU MD1 1 33 ARG QG . . 4.640 3.461 1.962 3.871 . 0 0 "[ . 1 . 2]" 1
152 1 15 LEU MD1 1 34 ILE H . . 3.360 3.052 2.624 3.423 0.063 9 0 "[ . 1 . 2]" 1
153 1 15 LEU MD1 1 34 ILE HA . . 3.860 2.400 2.020 3.026 . 0 0 "[ . 1 . 2]" 1
154 1 16 LEU H 1 16 LEU QB . . 3.120 2.093 2.043 2.170 . 0 0 "[ . 1 . 2]" 1
155 1 16 LEU H 1 16 LEU QD . . 3.890 3.188 2.748 3.540 . 0 0 "[ . 1 . 2]" 1
156 1 16 LEU H 1 17 PRO QD . . 4.150 1.737 1.723 1.750 . 0 0 "[ . 1 . 2]" 1
157 1 16 LEU H 1 19 VAL QG . . 4.580 4.248 4.067 4.483 . 0 0 "[ . 1 . 2]" 1
158 1 16 LEU HA 1 16 LEU QD . . 3.160 2.505 1.911 3.196 0.036 13 0 "[ . 1 . 2]" 1
159 1 16 LEU HA 1 17 PRO QD . . 3.750 3.361 3.347 3.369 . 0 0 "[ . 1 . 2]" 1
160 1 16 LEU HA 1 19 VAL H . . 4.420 3.452 3.408 3.487 . 0 0 "[ . 1 . 2]" 1
161 1 16 LEU HA 1 19 VAL HB . . 4.040 2.915 2.485 3.357 . 0 0 "[ . 1 . 2]" 1
162 1 16 LEU HA 1 19 VAL QG . . 3.730 2.291 1.858 2.806 . 0 0 "[ . 1 . 2]" 1
163 1 16 LEU QB 1 17 PRO QD . . 3.520 2.477 2.248 2.873 . 0 0 "[ . 1 . 2]" 1
164 1 16 LEU HB2 1 17 PRO QD . . 5.500 2.921 2.381 3.893 . 0 0 "[ . 1 . 2]" 1
165 1 16 LEU HB2 1 19 VAL QG . . 5.500 4.289 3.240 5.005 . 0 0 "[ . 1 . 2]" 1
166 1 16 LEU QD 1 17 PRO QD . . 4.090 3.346 2.587 3.655 . 0 0 "[ . 1 . 2]" 1
167 1 17 PRO QG 1 18 ILE H . . 4.070 2.148 2.111 2.182 . 0 0 "[ . 1 . 2]" 1
168 1 17 PRO QG 1 18 ILE HA . . 5.100 4.244 4.230 4.261 . 0 0 "[ . 1 . 2]" 1
169 1 17 PRO QG 1 18 ILE MD . . 4.700 4.273 4.104 4.723 0.023 9 0 "[ . 1 . 2]" 1
170 1 18 ILE H 1 18 ILE HB . . 3.650 3.634 3.623 3.644 . 0 0 "[ . 1 . 2]" 1
171 1 18 ILE H 1 18 ILE MD . . 4.400 3.677 3.597 3.825 . 0 0 "[ . 1 . 2]" 1
172 1 18 ILE H 1 18 ILE HG12 . . 4.030 2.108 1.945 2.942 . 0 0 "[ . 1 . 2]" 1
173 1 18 ILE H 1 18 ILE HG13 . . 4.400 2.848 1.948 3.164 . 0 0 "[ . 1 . 2]" 1
174 1 18 ILE H 1 19 VAL H . . 3.480 2.396 2.360 2.431 . 0 0 "[ . 1 . 2]" 1
175 1 18 ILE H 1 19 VAL QG . . 4.680 4.057 3.981 4.211 . 0 0 "[ . 1 . 2]" 1
176 1 18 ILE HA 1 18 ILE MD . . 4.500 4.131 3.805 4.167 . 0 0 "[ . 1 . 2]" 1
177 1 18 ILE HA 1 19 VAL HA . . 4.700 4.703 4.693 4.713 0.013 5 0 "[ . 1 . 2]" 1
178 1 18 ILE HA 1 19 VAL QG . . 5.500 4.881 4.784 4.955 . 0 0 "[ . 1 . 2]" 1
179 1 18 ILE HA 1 21 LYS QB . . 2.990 2.300 2.101 2.495 . 0 0 "[ . 1 . 2]" 1
180 1 18 ILE MD 1 33 ARG QB . . 4.490 3.173 2.804 3.873 . 0 0 "[ . 1 . 2]" 1
181 1 18 ILE HG12 1 19 VAL H . . 3.330 3.173 2.856 3.914 0.584 9 1 "[ . +1 . 2]" 1
182 1 18 ILE HG13 1 19 VAL HB . . 5.500 3.568 3.043 4.308 . 0 0 "[ . 1 . 2]" 1
183 1 19 VAL H 1 19 VAL HB . . 2.910 2.373 2.319 2.439 . 0 0 "[ . 1 . 2]" 1
184 1 19 VAL H 1 19 VAL QG . . 3.470 2.502 2.344 2.652 . 0 0 "[ . 1 . 2]" 1
185 1 19 VAL H 1 20 ASN H . . 4.260 2.474 2.423 2.546 . 0 0 "[ . 1 . 2]" 1
186 1 19 VAL HA 1 19 VAL QG . . 3.340 2.106 1.994 2.185 . 0 0 "[ . 1 . 2]" 1
187 1 19 VAL HA 1 21 LYS QB . . 4.470 4.535 4.493 4.575 0.105 5 0 "[ . 1 . 2]" 1
188 1 19 VAL HB 1 30 VAL MG2 . . 5.500 4.298 3.927 4.828 . 0 0 "[ . 1 . 2]" 1
189 1 19 VAL QG 1 20 ASN H . . 3.930 2.260 1.836 2.905 . 0 0 "[ . 1 . 2]" 1
190 1 19 VAL QG 1 20 ASN QB . . 5.500 2.948 2.542 3.783 . 0 0 "[ . 1 . 2]" 1
191 1 19 VAL QG 1 20 ASN HD21 . . 4.520 4.125 2.670 4.749 0.229 5 0 "[ . 1 . 2]" 1
192 1 19 VAL QG 1 22 ALA MB . . 5.500 4.646 4.475 4.790 . 0 0 "[ . 1 . 2]" 1
193 1 19 VAL QG 1 30 VAL HA . . 4.720 3.839 3.450 4.304 . 0 0 "[ . 1 . 2]" 1
194 1 19 VAL QG 1 30 VAL MG2 . . 4.380 2.169 2.010 2.361 . 0 0 "[ . 1 . 2]" 1
195 1 19 VAL QG 1 63 TRP HZ2 . . 5.180 4.425 4.092 4.772 . 0 0 "[ . 1 . 2]" 1
196 1 20 ASN H 1 20 ASN QB . . 3.690 2.234 2.126 2.343 . 0 0 "[ . 1 . 2]" 1
197 1 20 ASN H 1 20 ASN HB3 . . 3.540 2.739 2.162 3.566 0.026 8 0 "[ . 1 . 2]" 1
198 1 21 LYS H 1 21 LYS QB . . 3.200 2.106 2.041 2.223 . 0 0 "[ . 1 . 2]" 1
199 1 21 LYS QB 1 22 ALA H . . 4.140 2.595 2.518 2.649 . 0 0 "[ . 1 . 2]" 1
200 1 21 LYS QB 1 22 ALA HA . . 5.400 4.033 3.830 4.448 . 0 0 "[ . 1 . 2]" 1
201 1 21 LYS QB 1 22 ALA MB . . 5.500 3.596 3.451 3.762 . 0 0 "[ . 1 . 2]" 1
202 1 21 LYS QG 1 22 ALA HA . . 5.500 4.658 3.290 5.514 0.014 5 0 "[ . 1 . 2]" 1
203 1 22 ALA MB 1 23 GLY H . . 4.480 2.712 2.615 2.783 . 0 0 "[ . 1 . 2]" 1
204 1 22 ALA MB 1 23 GLY HA3 . . 5.500 3.804 3.749 3.868 . 0 0 "[ . 1 . 2]" 1
205 1 23 GLY HA2 1 24 CYS HA . . 4.730 4.900 4.891 4.909 0.179 8 0 "[ . 1 . 2]" 1
206 1 23 GLY HA2 1 24 CYS HB2 . . 5.500 4.038 4.014 4.065 . 0 0 "[ . 1 . 2]" 1
207 1 26 ARG H 1 26 ARG QB . . 3.460 2.643 2.569 2.704 . 0 0 "[ . 1 . 2]" 1
208 1 26 ARG H 1 26 ARG QD . . 3.800 2.859 2.055 3.940 0.140 1 0 "[ . 1 . 2]" 1
209 1 26 ARG H 1 26 ARG QG . . 3.960 2.001 1.895 2.275 . 0 0 "[ . 1 . 2]" 1
210 1 26 ARG QB 1 27 PRO QD . . 5.500 2.083 1.973 2.152 . 0 0 "[ . 1 . 2]" 1
211 1 26 ARG QB 1 29 GLU H . . 3.490 2.957 2.437 3.441 . 0 0 "[ . 1 . 2]" 1
212 1 26 ARG QB 1 29 GLU QB . . 4.600 3.571 2.776 4.349 . 0 0 "[ . 1 . 2]" 1
213 1 26 ARG QD 1 29 GLU HA . . 5.380 5.063 4.029 5.397 0.017 3 0 "[ . 1 . 2]" 1
214 1 26 ARG QD 1 29 GLU QG . . 4.540 2.578 1.889 3.892 . 0 0 "[ . 1 . 2]" 1
215 1 26 ARG QD 1 30 VAL MG2 . . 5.500 5.431 4.977 5.623 0.123 6 0 "[ . 1 . 2]" 1
216 1 26 ARG QG 1 27 PRO QD . . 3.920 3.620 3.402 3.863 . 0 0 "[ . 1 . 2]" 1
217 1 26 ARG QG 1 29 GLU QG . . 3.170 2.799 1.873 3.292 0.122 16 0 "[ . 1 . 2]" 1
218 1 26 ARG QG 1 30 VAL MG2 . . 5.190 4.419 3.826 5.249 0.059 2 0 "[ . 1 . 2]" 1
219 1 27 PRO HA 1 28 GLU QB . . 5.500 5.222 5.182 5.434 . 0 0 "[ . 1 . 2]" 1
220 1 27 PRO HA 1 30 VAL H . . 4.100 3.380 3.259 3.481 . 0 0 "[ . 1 . 2]" 1
221 1 27 PRO HA 1 30 VAL HB . . 3.970 2.584 2.277 2.771 . 0 0 "[ . 1 . 2]" 1
222 1 27 PRO HA 1 30 VAL MG2 . . 4.120 2.264 1.986 2.710 . 0 0 "[ . 1 . 2]" 1
223 1 27 PRO QB 1 28 GLU H . . 3.830 3.261 3.217 3.296 . 0 0 "[ . 1 . 2]" 1
224 1 27 PRO QD 1 30 VAL MG2 . . 4.470 4.276 4.168 4.420 . 0 0 "[ . 1 . 2]" 1
225 1 27 PRO QD 1 65 GLU HA . . 5.500 3.409 2.118 5.032 . 0 0 "[ . 1 . 2]" 1
226 1 27 PRO QD 1 65 GLU QB . . 3.310 2.833 1.849 3.378 0.068 20 0 "[ . 1 . 2]" 1
227 1 27 PRO QD 1 66 HIS H . . 3.840 3.766 2.914 3.917 0.077 15 0 "[ . 1 . 2]" 1
228 1 27 PRO QG 1 28 GLU H . . 3.860 2.433 2.369 2.486 . 0 0 "[ . 1 . 2]" 1
229 1 28 GLU H 1 28 GLU QB . . 3.300 2.199 2.062 2.453 . 0 0 "[ . 1 . 2]" 1
230 1 28 GLU H 1 29 GLU H . . 3.840 2.598 2.523 2.688 . 0 0 "[ . 1 . 2]" 1
231 1 28 GLU H 1 30 VAL H . . 4.570 3.888 3.832 3.919 . 0 0 "[ . 1 . 2]" 1
232 1 28 GLU HA 1 28 GLU QG . . 3.380 2.538 2.031 3.056 . 0 0 "[ . 1 . 2]" 1
233 1 28 GLU QB 1 29 GLU HA . . 5.500 4.076 3.802 4.299 . 0 0 "[ . 1 . 2]" 1
234 1 29 GLU H 1 29 GLU QB . . 3.320 2.409 2.195 2.603 . 0 0 "[ . 1 . 2]" 1
235 1 29 GLU H 1 29 GLU QG . . 3.810 2.710 2.183 3.964 0.154 16 0 "[ . 1 . 2]" 1
236 1 29 GLU H 1 30 VAL H . . 3.520 2.449 2.405 2.466 . 0 0 "[ . 1 . 2]" 1
237 1 29 GLU HA 1 29 GLU QG . . 3.300 2.942 2.593 3.436 0.136 4 0 "[ . 1 . 2]" 1
238 1 29 GLU QB 1 29 GLU QG . . 2.400 2.016 1.991 2.056 . 0 0 "[ . 1 . 2]" 1
239 1 29 GLU QB 1 30 VAL HA . . 5.500 4.130 3.862 4.648 . 0 0 "[ . 1 . 2]" 1
240 1 29 GLU QG 1 30 VAL H . . 4.160 3.510 2.093 4.178 0.018 17 0 "[ . 1 . 2]" 1
241 1 29 GLU QG 1 30 VAL MG2 . . 4.790 3.969 2.301 4.828 0.038 10 0 "[ . 1 . 2]" 1
242 1 30 VAL H 1 30 VAL HB . . 2.870 2.481 2.428 2.541 . 0 0 "[ . 1 . 2]" 1
243 1 30 VAL H 1 30 VAL MG2 . . 3.330 2.281 2.153 2.401 . 0 0 "[ . 1 . 2]" 1
244 1 30 VAL H 1 31 GLU H . . 3.320 2.687 2.671 2.716 . 0 0 "[ . 1 . 2]" 1
245 1 30 VAL HA 1 30 VAL MG2 . . 3.300 2.330 2.265 2.387 . 0 0 "[ . 1 . 2]" 1
246 1 30 VAL HA 1 33 ARG H . . 3.660 3.351 3.244 3.710 0.050 16 0 "[ . 1 . 2]" 1
247 1 30 VAL HA 1 33 ARG QB . . 3.920 3.083 2.531 3.991 0.071 16 0 "[ . 1 . 2]" 1
248 1 30 VAL HB 1 31 GLU H . . 2.760 2.734 2.679 2.791 0.031 16 0 "[ . 1 . 2]" 1
249 1 30 VAL HB 1 63 TRP HH2 . . 5.500 5.199 4.589 5.550 0.050 18 0 "[ . 1 . 2]" 1
250 1 30 VAL HB 1 63 TRP HZ2 . . 5.500 4.937 4.224 5.563 0.063 18 0 "[ . 1 . 2]" 1
251 1 30 VAL MG2 1 31 GLU H . . 3.940 3.944 3.874 3.985 0.045 18 0 "[ . 1 . 2]" 1
252 1 30 VAL MG2 1 31 GLU HA . . 5.500 5.407 5.396 5.420 . 0 0 "[ . 1 . 2]" 1
253 1 30 VAL MG2 1 33 ARG QG . . 5.500 4.096 3.583 5.487 . 0 0 "[ . 1 . 2]" 1
254 1 30 VAL MG2 1 34 ILE MD . . 5.500 5.286 5.079 5.524 0.024 18 0 "[ . 1 . 2]" 1
255 1 30 VAL MG2 1 57 ILE HB . . 4.660 4.410 4.128 4.678 0.018 18 0 "[ . 1 . 2]" 1
256 1 30 VAL MG2 1 57 ILE MD . . 3.320 3.068 2.034 3.355 0.035 8 0 "[ . 1 . 2]" 1
257 1 30 VAL MG2 1 57 ILE MG . . 5.500 3.529 2.992 4.065 . 0 0 "[ . 1 . 2]" 1
258 1 30 VAL MG2 1 63 TRP HH2 . . 4.880 3.409 2.837 4.790 . 0 0 "[ . 1 . 2]" 1
259 1 31 GLU H 1 32 GLU H . . 3.700 2.687 2.479 2.720 . 0 0 "[ . 1 . 2]" 1
260 1 31 GLU HA 1 33 ARG QB . . 5.500 5.009 4.871 5.920 0.420 16 0 "[ . 1 . 2]" 1
261 1 31 GLU HA 1 34 ILE HB . . 5.310 3.436 3.182 3.653 . 0 0 "[ . 1 . 2]" 1
262 1 31 GLU HA 1 34 ILE MD . . 3.410 2.157 1.968 2.550 . 0 0 "[ . 1 . 2]" 1
263 1 31 GLU HA 1 34 ILE MG . . 5.070 4.422 4.186 4.599 . 0 0 "[ . 1 . 2]" 1
264 1 31 GLU QG 1 34 ILE MD . . 5.500 3.355 2.466 4.896 . 0 0 "[ . 1 . 2]" 1
265 1 32 GLU H 1 32 GLU HB2 . . 3.400 2.107 2.068 2.241 . 0 0 "[ . 1 . 2]" 1
266 1 32 GLU H 1 32 GLU HB3 . . 3.390 3.270 2.859 3.401 0.011 15 0 "[ . 1 . 2]" 1
267 1 32 GLU HA 1 33 ARG HA . . 5.200 4.800 4.757 4.818 . 0 0 "[ . 1 . 2]" 1
268 1 32 GLU HA 1 35 ARG H . . 3.850 3.549 3.470 3.727 . 0 0 "[ . 1 . 2]" 1
269 1 32 GLU HA 1 35 ARG QB . . 4.270 3.171 2.983 3.670 . 0 0 "[ . 1 . 2]" 1
270 1 32 GLU HB2 1 33 ARG H . . 3.710 3.183 2.990 3.609 . 0 0 "[ . 1 . 2]" 1
271 1 32 GLU HB2 1 33 ARG HA . . 5.500 5.064 4.884 5.470 . 0 0 "[ . 1 . 2]" 1
272 1 32 GLU HB3 1 33 ARG H . . 3.420 3.049 2.650 3.261 . 0 0 "[ . 1 . 2]" 1
273 1 32 GLU HB3 1 33 ARG HA . . 5.240 3.919 3.826 3.979 . 0 0 "[ . 1 . 2]" 1
274 1 33 ARG H 1 33 ARG QB . . 3.220 2.465 2.071 2.627 . 0 0 "[ . 1 . 2]" 1
275 1 33 ARG H 1 34 ILE H . . 3.480 2.631 2.532 2.662 . 0 0 "[ . 1 . 2]" 1
276 1 34 ILE H 1 34 ILE HB . . 2.940 2.609 2.582 2.628 . 0 0 "[ . 1 . 2]" 1
277 1 34 ILE H 1 34 ILE MD . . 3.910 3.609 3.581 3.677 . 0 0 "[ . 1 . 2]" 1
278 1 34 ILE H 1 35 ARG H . . 3.510 2.713 2.682 2.754 . 0 0 "[ . 1 . 2]" 1
279 1 34 ILE HA 1 34 ILE MD . . 3.810 3.807 3.752 3.825 0.015 5 0 "[ . 1 . 2]" 1
280 1 34 ILE HA 1 34 ILE MG . . 3.130 2.363 2.354 2.372 . 0 0 "[ . 1 . 2]" 1
281 1 34 ILE HA 1 35 ARG HA . . 5.500 4.794 4.781 4.817 . 0 0 "[ . 1 . 2]" 1
282 1 34 ILE HA 1 37 ALA H . . 3.860 3.575 3.521 3.622 . 0 0 "[ . 1 . 2]" 1
283 1 34 ILE HA 1 37 ALA MB . . 3.650 3.014 2.867 3.112 . 0 0 "[ . 1 . 2]" 1
284 1 34 ILE HB 1 35 ARG H . . 3.210 2.626 2.502 2.712 . 0 0 "[ . 1 . 2]" 1
285 1 34 ILE HB 1 47 PHE QD . . 5.500 5.520 5.472 5.589 0.089 19 0 "[ . 1 . 2]" 1
286 1 34 ILE HB 1 50 ILE MD . . 5.500 5.045 4.970 5.185 . 0 0 "[ . 1 . 2]" 1
287 1 34 ILE MD 1 34 ILE MG . . 2.810 2.033 1.900 2.101 . 0 0 "[ . 1 . 2]" 1
288 1 34 ILE MD 1 35 ARG H . . 4.740 4.632 4.544 4.742 0.002 16 0 "[ . 1 . 2]" 1
289 1 34 ILE MD 1 35 ARG QG . . 5.290 5.241 5.127 5.327 0.037 13 0 "[ . 1 . 2]" 1
290 1 34 ILE MD 1 47 PHE QE . . 4.130 3.975 3.877 4.177 0.047 12 0 "[ . 1 . 2]" 1
291 1 34 ILE MD 1 47 PHE HZ . . 4.220 4.294 4.246 4.336 0.116 18 0 "[ . 1 . 2]" 1
292 1 34 ILE MD 1 51 LEU HB2 . . 5.500 4.851 4.469 5.090 . 0 0 "[ . 1 . 2]" 1
293 1 34 ILE MD 1 56 GLU H . . 4.930 5.026 4.929 5.123 0.193 15 0 "[ . 1 . 2]" 1
294 1 34 ILE MD 1 57 ILE HB . . 5.500 4.241 3.826 4.654 . 0 0 "[ . 1 . 2]" 1
295 1 34 ILE HG12 1 34 ILE MG . . 3.310 2.355 2.331 2.429 . 0 0 "[ . 1 . 2]" 1
296 1 34 ILE MG 1 35 ARG H . . 3.910 3.589 3.483 3.668 . 0 0 "[ . 1 . 2]" 1
297 1 34 ILE MG 1 35 ARG HA . . 5.470 3.694 3.635 3.747 . 0 0 "[ . 1 . 2]" 1
298 1 34 ILE MG 1 35 ARG QD . . 5.500 5.167 4.964 5.275 . 0 0 "[ . 1 . 2]" 1
299 1 34 ILE MG 1 36 ARG H . . 4.990 4.923 4.848 4.991 0.001 4 0 "[ . 1 . 2]" 1
300 1 34 ILE MG 1 47 PHE QD . . 5.500 3.985 3.957 4.054 . 0 0 "[ . 1 . 2]" 1
301 1 34 ILE MG 1 47 PHE QE . . 3.160 1.955 1.927 2.048 . 0 0 "[ . 1 . 2]" 1
302 1 34 ILE MG 1 47 PHE HZ . . 4.350 1.950 1.880 2.080 . 0 0 "[ . 1 . 2]" 1
303 1 35 ARG H 1 35 ARG QB . . 2.810 2.140 2.117 2.172 . 0 0 "[ . 1 . 2]" 1
304 1 35 ARG H 1 35 ARG QD . . 4.570 4.436 4.361 4.471 . 0 0 "[ . 1 . 2]" 1
305 1 35 ARG H 1 35 ARG QG . . 4.070 2.959 2.891 3.013 . 0 0 "[ . 1 . 2]" 1
306 1 35 ARG H 1 36 ARG H . . 2.960 2.639 2.605 2.694 . 0 0 "[ . 1 . 2]" 1
307 1 35 ARG HA 1 35 ARG QD . . 4.410 2.789 2.595 2.878 . 0 0 "[ . 1 . 2]" 1
308 1 35 ARG HA 1 38 LEU H . . 4.050 3.377 3.300 3.474 . 0 0 "[ . 1 . 2]" 1
309 1 35 ARG HA 1 38 LEU HB2 . . 5.050 3.723 3.576 4.189 . 0 0 "[ . 1 . 2]" 1
310 1 35 ARG HA 1 38 LEU QB . . 3.170 2.357 2.245 2.644 . 0 0 "[ . 1 . 2]" 1
311 1 35 ARG HA 1 38 LEU HB3 . . 4.970 2.383 2.269 2.673 . 0 0 "[ . 1 . 2]" 1
312 1 35 ARG HA 1 38 LEU QD . . 3.820 2.636 1.862 2.759 . 0 0 "[ . 1 . 2]" 1
313 1 35 ARG HA 1 47 PHE QE . . 5.500 3.665 3.192 3.890 . 0 0 "[ . 1 . 2]" 1
314 1 35 ARG HA 1 51 LEU HB2 . . 5.500 5.005 4.810 5.184 . 0 0 "[ . 1 . 2]" 1
315 1 35 ARG HA 1 51 LEU HB3 . . 5.500 5.613 5.564 5.646 0.146 12 0 "[ . 1 . 2]" 1
316 1 35 ARG HA 1 51 LEU MD2 . . 5.500 5.219 4.984 5.409 . 0 0 "[ . 1 . 2]" 1
317 1 35 ARG QB 1 36 ARG H . . 2.810 2.781 2.753 2.791 . 0 0 "[ . 1 . 2]" 1
318 1 35 ARG QB 1 47 PHE QD . . 5.500 5.391 5.120 5.527 0.027 19 0 "[ . 1 . 2]" 1
319 1 35 ARG QD 1 38 LEU QB . . 4.240 3.764 3.490 4.245 0.005 17 0 "[ . 1 . 2]" 1
320 1 35 ARG QD 1 38 LEU HB3 . . 5.500 3.924 3.633 4.487 . 0 0 "[ . 1 . 2]" 1
321 1 35 ARG QD 1 38 LEU HG . . 5.500 4.211 4.031 4.333 . 0 0 "[ . 1 . 2]" 1
322 1 35 ARG QD 1 39 LYS QB . . 5.500 5.512 5.497 5.531 0.031 16 0 "[ . 1 . 2]" 1
323 1 35 ARG QD 1 44 THR HA . . 5.500 4.837 4.708 4.984 . 0 0 "[ . 1 . 2]" 1
324 1 35 ARG QD 1 44 THR HB . . 5.050 3.326 3.156 3.491 . 0 0 "[ . 1 . 2]" 1
325 1 35 ARG QD 1 47 PHE QE . . 4.610 4.506 4.060 4.630 0.020 6 0 "[ . 1 . 2]" 1
326 1 35 ARG QD 1 51 LEU MD2 . . 5.500 2.987 2.697 3.300 . 0 0 "[ . 1 . 2]" 1
327 1 35 ARG QG 1 47 PHE QE . . 4.640 3.614 3.374 3.730 . 0 0 "[ . 1 . 2]" 1
328 1 35 ARG QG 1 47 PHE HZ . . 5.500 5.535 5.487 5.570 0.070 16 0 "[ . 1 . 2]" 1
329 1 35 ARG QG 1 51 LEU MD2 . . 5.330 3.152 2.928 3.363 . 0 0 "[ . 1 . 2]" 1
330 1 36 ARG H 1 36 ARG QB . . 2.780 2.230 2.108 2.245 . 0 0 "[ . 1 . 2]" 1
331 1 36 ARG H 1 37 ALA H . . 3.430 2.744 2.694 2.767 . 0 0 "[ . 1 . 2]" 1
332 1 36 ARG HA 1 36 ARG QB . . 2.640 2.309 2.153 2.335 . 0 0 "[ . 1 . 2]" 1
333 1 36 ARG QB 1 37 ALA H . . 3.030 2.514 2.441 3.277 0.247 4 0 "[ . 1 . 2]" 1
334 1 36 ARG QG 1 37 ALA HA . . 4.040 3.360 2.954 3.526 . 0 0 "[ . 1 . 2]" 1
335 1 36 ARG QG 1 37 ALA MB . . 4.010 3.930 2.876 4.043 0.033 16 0 "[ . 1 . 2]" 1
336 1 37 ALA H 1 37 ALA MB . . 2.990 2.177 2.139 2.220 . 0 0 "[ . 1 . 2]" 1
337 1 37 ALA H 1 38 LEU H . . 3.290 2.610 2.533 2.655 . 0 0 "[ . 1 . 2]" 1
338 1 37 ALA HA 1 38 LEU HA . . 5.500 4.814 4.796 4.823 . 0 0 "[ . 1 . 2]" 1
339 1 37 ALA HA 1 39 LYS QE . . 5.500 4.907 4.752 5.146 . 0 0 "[ . 1 . 2]" 1
340 1 37 ALA MB 1 38 LEU H . . 3.550 2.770 2.736 2.819 . 0 0 "[ . 1 . 2]" 1
341 1 37 ALA MB 1 39 LYS H . . 4.450 4.400 4.362 4.423 . 0 0 "[ . 1 . 2]" 1
342 1 38 LEU H 1 38 LEU QB . . 3.110 2.050 2.040 2.071 . 0 0 "[ . 1 . 2]" 1
343 1 38 LEU H 1 38 LEU QD . . 3.590 3.666 3.386 3.709 0.119 19 0 "[ . 1 . 2]" 1
344 1 38 LEU H 1 39 LYS H . . 3.600 2.627 2.598 2.639 . 0 0 "[ . 1 . 2]" 1
345 1 38 LEU HA 1 38 LEU QD . . 3.050 2.610 2.516 3.003 . 0 0 "[ . 1 . 2]" 1
346 1 38 LEU HA 1 47 PHE QE . . 3.810 3.758 3.631 3.863 0.053 17 0 "[ . 1 . 2]" 1
347 1 38 LEU HA 1 47 PHE HZ . . 5.500 4.889 4.694 5.020 . 0 0 "[ . 1 . 2]" 1
348 1 38 LEU QB 1 41 MET QG . . 4.060 4.086 3.991 4.113 0.053 1 0 "[ . 1 . 2]" 1
349 1 38 LEU QB 1 44 THR MG . . 3.930 3.755 3.718 3.924 . 0 0 "[ . 1 . 2]" 1
350 1 38 LEU HB2 1 41 MET QG . . 5.500 4.257 4.123 4.306 . 0 0 "[ . 1 . 2]" 1
351 1 38 LEU HB2 1 47 PHE QD . . 5.500 2.944 2.777 3.011 . 0 0 "[ . 1 . 2]" 1
352 1 38 LEU HB2 1 47 PHE QE . . 5.500 2.991 2.888 3.057 . 0 0 "[ . 1 . 2]" 1
353 1 38 LEU HB2 1 47 PHE HZ . . 5.500 3.651 3.518 3.781 . 0 0 "[ . 1 . 2]" 1
354 1 38 LEU QD 1 39 LYS H . . 4.420 3.689 3.412 3.743 . 0 0 "[ . 1 . 2]" 1
355 1 38 LEU QD 1 39 LYS QB . . 4.490 4.281 3.928 4.350 . 0 0 "[ . 1 . 2]" 1
356 1 38 LEU QD 1 41 MET QB . . 4.330 2.619 2.470 2.948 . 0 0 "[ . 1 . 2]" 1
357 1 38 LEU QD 1 41 MET QG . . 3.990 2.838 2.750 3.403 . 0 0 "[ . 1 . 2]" 1
358 1 38 LEU QD 1 42 GLY H . . 4.070 3.471 3.401 3.567 . 0 0 "[ . 1 . 2]" 1
359 1 38 LEU QD 1 42 GLY HA2 . . 5.500 4.370 4.191 4.480 . 0 0 "[ . 1 . 2]" 1
360 1 38 LEU QD 1 43 ASP H . . 4.190 2.953 2.841 3.296 . 0 0 "[ . 1 . 2]" 1
361 1 38 LEU QD 1 43 ASP QB . . 4.490 3.694 3.626 4.010 . 0 0 "[ . 1 . 2]" 1
362 1 38 LEU QD 1 44 THR HA . . 3.620 1.750 1.723 1.900 . 0 0 "[ . 1 . 2]" 1
363 1 38 LEU QD 1 47 PHE H . . 4.060 3.303 3.271 3.587 . 0 0 "[ . 1 . 2]" 1
364 1 38 LEU QD 1 47 PHE HB2 . . 3.480 1.926 1.865 2.280 . 0 0 "[ . 1 . 2]" 1
365 1 38 LEU QD 1 47 PHE HB3 . . 3.880 1.792 1.778 1.823 . 0 0 "[ . 1 . 2]" 1
366 1 38 LEU QD 1 47 PHE QD . . 3.730 2.160 2.034 2.271 . 0 0 "[ . 1 . 2]" 1
367 1 38 LEU QD 1 47 PHE QE . . 4.480 3.168 2.936 3.243 . 0 0 "[ . 1 . 2]" 1
368 1 38 LEU QD 1 47 PHE HZ . . 5.500 4.209 3.905 4.288 . 0 0 "[ . 1 . 2]" 1
369 1 38 LEU QD 1 48 ASP H . . 5.100 3.701 3.638 3.822 . 0 0 "[ . 1 . 2]" 1
370 1 38 LEU QD 1 51 LEU HB2 . . 5.220 4.659 4.186 4.962 . 0 0 "[ . 1 . 2]" 1
371 1 38 LEU QD 1 51 LEU HB3 . . 4.630 4.290 4.118 4.481 . 0 0 "[ . 1 . 2]" 1
372 1 38 LEU QD 1 51 LEU MD2 . . 4.340 4.065 3.876 4.260 . 0 0 "[ . 1 . 2]" 1
373 1 38 LEU HG 1 39 LYS H . . 3.430 3.073 2.559 3.194 . 0 0 "[ . 1 . 2]" 1
374 1 38 LEU HG 1 39 LYS QB . . 4.880 4.034 3.600 4.149 . 0 0 "[ . 1 . 2]" 1
375 1 38 LEU HG 1 44 THR HA . . 5.020 3.820 3.732 4.471 . 0 0 "[ . 1 . 2]" 1
376 1 39 LYS H 1 39 LYS QB . . 2.790 2.236 2.223 2.247 . 0 0 "[ . 1 . 2]" 1
377 1 39 LYS H 1 40 LYS H . . 3.500 2.711 2.702 2.722 . 0 0 "[ . 1 . 2]" 1
378 1 39 LYS H 1 44 THR MG . . 4.360 4.358 4.289 4.430 0.070 3 0 "[ . 1 . 2]" 1
379 1 39 LYS HA 1 39 LYS QE . . 5.500 3.793 3.671 3.997 . 0 0 "[ . 1 . 2]" 1
380 1 39 LYS HA 1 42 GLY HA2 . . 4.230 3.345 3.295 3.478 . 0 0 "[ . 1 . 2]" 1
381 1 39 LYS HA 1 44 THR MG . . 3.680 3.267 3.112 3.358 . 0 0 "[ . 1 . 2]" 1
382 1 39 LYS QB 1 39 LYS QE . . 3.110 2.529 1.972 3.180 0.070 10 0 "[ . 1 . 2]" 1
383 1 39 LYS QB 1 44 THR MG . . 5.500 4.112 3.961 4.223 . 0 0 "[ . 1 . 2]" 1
384 1 39 LYS QE 1 40 LYS HA . . 4.290 2.178 1.885 2.426 . 0 0 "[ . 1 . 2]" 1
385 1 39 LYS QE 1 40 LYS QB . . 3.360 3.253 2.881 3.571 0.211 18 0 "[ . 1 . 2]" 1
386 1 39 LYS QE 1 42 GLY HA2 . . 5.500 4.831 4.640 4.994 . 0 0 "[ . 1 . 2]" 1
387 1 40 LYS H 1 40 LYS QB . . 2.650 2.287 2.227 2.578 . 0 0 "[ . 1 . 2]" 1
388 1 40 LYS H 1 40 LYS QG . . 4.280 3.672 1.922 4.024 . 0 0 "[ . 1 . 2]" 1
389 1 40 LYS HA 1 40 LYS QG . . 3.620 2.512 2.410 2.938 . 0 0 "[ . 1 . 2]" 1
390 1 40 LYS HA 1 41 MET H . . 3.490 3.432 3.429 3.438 . 0 0 "[ . 1 . 2]" 1
391 1 40 LYS QB 1 41 MET H . . 3.540 3.013 2.989 3.037 . 0 0 "[ . 1 . 2]" 1
392 1 40 LYS QB 1 41 MET QG . . 3.680 2.960 2.821 3.166 . 0 0 "[ . 1 . 2]" 1
393 1 40 LYS QG 1 41 MET H . . 4.130 3.985 3.814 4.176 0.046 15 0 "[ . 1 . 2]" 1
394 1 40 LYS QG 1 41 MET QG . . 4.390 3.691 3.071 4.391 0.001 18 0 "[ . 1 . 2]" 1
395 1 41 MET H 1 41 MET QB . . 3.150 2.664 2.582 2.724 . 0 0 "[ . 1 . 2]" 1
396 1 41 MET H 1 41 MET QG . . 3.580 2.357 2.125 2.432 . 0 0 "[ . 1 . 2]" 1
397 1 41 MET H 1 42 GLY H . . 3.780 2.120 2.103 2.166 . 0 0 "[ . 1 . 2]" 1
398 1 41 MET HA 1 41 MET QG . . 3.500 2.689 2.497 3.212 . 0 0 "[ . 1 . 2]" 1
399 1 41 MET QB 1 42 GLY H . . 4.110 3.002 2.974 3.023 . 0 0 "[ . 1 . 2]" 1
400 1 41 MET QB 1 43 ASP H . . 4.320 2.264 2.219 2.324 . 0 0 "[ . 1 . 2]" 1
401 1 41 MET QB 1 47 PHE HB2 . . 5.240 5.141 5.025 5.261 0.021 13 0 "[ . 1 . 2]" 1
402 1 42 GLY HA3 1 43 ASP QB . . 5.190 4.658 4.646 4.676 . 0 0 "[ . 1 . 2]" 1
403 1 43 ASP H 1 43 ASP QB . . 3.480 2.334 2.331 2.338 . 0 0 "[ . 1 . 2]" 1
404 1 43 ASP HA 1 44 THR MG . . 4.430 3.939 3.880 4.006 . 0 0 "[ . 1 . 2]" 1
405 1 43 ASP QB 1 44 THR HA . . 4.320 4.389 4.384 4.395 0.075 14 0 "[ . 1 . 2]" 1
406 1 44 THR HA 1 44 THR MG . . 3.270 2.461 2.448 2.496 . 0 0 "[ . 1 . 2]" 1
407 1 45 SER HA 1 46 CYS QB . . 5.500 5.158 5.153 5.160 . 0 0 "[ . 1 . 2]" 1
408 1 46 CYS H 1 46 CYS QB . . 3.590 2.329 2.327 2.334 . 0 0 "[ . 1 . 2]" 1
409 1 46 CYS H 1 47 PHE H . . 3.960 2.244 2.231 2.253 . 0 0 "[ . 1 . 2]" 1
410 1 46 CYS HA 1 48 ASP H . . 4.220 4.118 4.045 4.151 . 0 0 "[ . 1 . 2]" 1
411 1 46 CYS HA 1 48 ASP QB . . 5.000 4.562 4.456 4.659 . 0 0 "[ . 1 . 2]" 1
412 1 46 CYS HA 1 49 GLU H . . 3.900 3.734 3.678 3.763 . 0 0 "[ . 1 . 2]" 1
413 1 46 CYS QB 1 47 PHE H . . 4.240 2.946 2.913 2.978 . 0 0 "[ . 1 . 2]" 1
414 1 47 PHE H 1 47 PHE HB2 . . 3.560 2.317 2.266 2.361 . 0 0 "[ . 1 . 2]" 1
415 1 47 PHE H 1 47 PHE QB . . 3.440 2.214 2.185 2.236 . 0 0 "[ . 1 . 2]" 1
416 1 47 PHE H 1 47 PHE HB3 . . 3.040 2.816 2.765 2.868 . 0 0 "[ . 1 . 2]" 1
417 1 47 PHE H 1 48 ASP H . . 3.750 2.475 2.462 2.506 . 0 0 "[ . 1 . 2]" 1
418 1 47 PHE QB 1 48 ASP H . . 4.510 2.780 2.767 2.798 . 0 0 "[ . 1 . 2]" 1
419 1 47 PHE HB2 1 48 ASP H . . 4.150 3.749 3.711 3.789 . 0 0 "[ . 1 . 2]" 1
420 1 47 PHE HB2 1 50 ILE MG . . 5.500 4.624 4.506 5.284 . 0 0 "[ . 1 . 2]" 1
421 1 47 PHE HB3 1 48 ASP H . . 3.450 2.866 2.844 2.894 . 0 0 "[ . 1 . 2]" 1
422 1 47 PHE HB3 1 50 ILE HG12 . . 5.160 4.618 4.549 4.748 . 0 0 "[ . 1 . 2]" 1
423 1 47 PHE QD 1 48 ASP H . . 4.380 4.145 4.029 4.289 . 0 0 "[ . 1 . 2]" 1
424 1 47 PHE QD 1 50 ILE MD . . 5.500 3.142 2.904 3.197 . 0 0 "[ . 1 . 2]" 1
425 1 47 PHE QD 1 50 ILE MG . . 5.500 4.324 4.240 4.829 . 0 0 "[ . 1 . 2]" 1
426 1 47 PHE QD 1 51 LEU HA . . 4.240 3.804 3.595 4.035 . 0 0 "[ . 1 . 2]" 1
427 1 47 PHE QD 1 51 LEU MD2 . . 3.830 3.552 3.422 3.667 . 0 0 "[ . 1 . 2]" 1
428 1 47 PHE QE 1 50 ILE MD . . 5.020 2.534 2.458 2.654 . 0 0 "[ . 1 . 2]" 1
429 1 47 PHE QE 1 51 LEU HA . . 3.900 3.249 3.007 3.614 . 0 0 "[ . 1 . 2]" 1
430 1 47 PHE QE 1 51 LEU QB . . 4.540 3.106 2.834 3.331 . 0 0 "[ . 1 . 2]" 1
431 1 47 PHE HZ 1 50 ILE MD . . 5.500 2.952 2.833 3.048 . 0 0 "[ . 1 . 2]" 1
432 1 48 ASP H 1 48 ASP QB . . 3.140 2.209 2.058 2.255 . 0 0 "[ . 1 . 2]" 1
433 1 48 ASP H 1 49 GLU H . . 3.630 2.747 2.689 2.760 . 0 0 "[ . 1 . 2]" 1
434 1 48 ASP HA 1 51 LEU H . . 4.270 3.657 3.607 3.740 . 0 0 "[ . 1 . 2]" 1
435 1 48 ASP HA 1 51 LEU MD2 . . 4.600 1.873 1.861 1.880 . 0 0 "[ . 1 . 2]" 1
436 1 48 ASP QB 1 49 GLU H . . 3.840 2.746 2.688 2.827 . 0 0 "[ . 1 . 2]" 1
437 1 49 GLU H 1 49 GLU QG . . 3.520 2.802 2.119 3.450 . 0 0 "[ . 1 . 2]" 1
438 1 49 GLU H 1 50 ILE H . . 3.150 2.518 2.491 2.568 . 0 0 "[ . 1 . 2]" 1
439 1 49 GLU H 1 50 ILE MG . . 4.750 3.772 3.723 4.023 . 0 0 "[ . 1 . 2]" 1
440 1 49 GLU QB 1 50 ILE H . . 3.790 2.533 2.474 2.618 . 0 0 "[ . 1 . 2]" 1
441 1 50 ILE H 1 50 ILE MG . . 3.750 2.042 2.008 2.144 . 0 0 "[ . 1 . 2]" 1
442 1 50 ILE HA 1 54 LEU QB . . 5.500 4.757 4.549 5.241 . 0 0 "[ . 1 . 2]" 1
443 1 50 ILE MD 1 51 LEU H . . 4.780 3.139 2.886 3.287 . 0 0 "[ . 1 . 2]" 1
444 1 50 ILE MD 1 51 LEU HA . . 3.770 2.482 2.329 2.603 . 0 0 "[ . 1 . 2]" 1
445 1 50 ILE MD 1 54 LEU H . . 4.120 3.858 3.689 4.169 0.049 17 0 "[ . 1 . 2]" 1
446 1 50 ILE MD 1 54 LEU QB . . 3.190 2.566 2.279 3.148 . 0 0 "[ . 1 . 2]" 1
447 1 50 ILE MD 1 54 LEU HG . . 3.040 2.964 2.479 3.544 0.504 17 1 "[ . 1 . + 2]" 1
448 1 50 ILE MG 1 51 LEU HA . . 5.500 5.289 5.263 5.397 . 0 0 "[ . 1 . 2]" 1
449 1 51 LEU H 1 51 LEU QB . . 3.200 2.092 2.060 2.126 . 0 0 "[ . 1 . 2]" 1
450 1 51 LEU H 1 51 LEU MD2 . . 4.200 3.557 3.526 3.628 . 0 0 "[ . 1 . 2]" 1
451 1 51 LEU H 1 51 LEU HG . . 3.280 3.191 3.050 3.352 0.072 17 0 "[ . 1 . 2]" 1
452 1 51 LEU H 1 52 LYS H . . 3.370 2.713 2.683 2.771 . 0 0 "[ . 1 . 2]" 1
453 1 51 LEU HA 1 51 LEU HG . . 3.980 3.690 3.662 3.731 . 0 0 "[ . 1 . 2]" 1
454 1 51 LEU HA 1 54 LEU QB . . 3.870 2.447 2.295 2.659 . 0 0 "[ . 1 . 2]" 1
455 1 51 LEU QB 1 52 LYS H . . 3.430 3.394 3.345 3.419 . 0 0 "[ . 1 . 2]" 1
456 1 51 LEU QB 1 52 LYS HA . . 4.700 4.676 4.624 4.701 0.001 17 0 "[ . 1 . 2]" 1
457 1 51 LEU HB2 1 51 LEU HG . . 2.950 2.991 2.987 3.000 0.050 19 0 "[ . 1 . 2]" 1
458 1 51 LEU MD2 1 52 LYS H . . 4.810 3.810 3.718 3.859 . 0 0 "[ . 1 . 2]" 1
459 1 51 LEU MD2 1 52 LYS HA . . 4.820 4.646 4.588 4.702 . 0 0 "[ . 1 . 2]" 1
460 1 51 LEU HG 1 52 LYS H . . 4.140 2.247 2.027 2.364 . 0 0 "[ . 1 . 2]" 1
461 1 52 LYS H 1 52 LYS QD . . 2.870 2.740 2.473 3.053 0.183 6 0 "[ . 1 . 2]" 1
462 1 52 LYS H 1 53 GLY H . . 3.550 2.594 2.521 2.614 . 0 0 "[ . 1 . 2]" 1
463 1 52 LYS HA 1 52 LYS QD . . 4.200 2.852 2.271 4.317 0.117 6 0 "[ . 1 . 2]" 1
464 1 53 GLY H 1 53 GLY HA2 . . 2.950 2.872 2.866 2.884 . 0 0 "[ . 1 . 2]" 1
465 1 53 GLY HA2 1 55 LYS H . . 3.790 3.303 3.285 3.335 . 0 0 "[ . 1 . 2]" 1
466 1 53 GLY HA3 1 54 LEU QB . . 4.890 4.683 4.637 4.906 0.016 17 0 "[ . 1 . 2]" 1
467 1 54 LEU H 1 54 LEU QB . . 3.060 2.108 2.068 2.137 . 0 0 "[ . 1 . 2]" 1
468 1 54 LEU H 1 54 LEU HG . . 4.020 4.028 3.814 4.175 0.155 17 0 "[ . 1 . 2]" 1
469 1 54 LEU H 1 55 LYS H . . 4.000 3.152 3.130 3.167 . 0 0 "[ . 1 . 2]" 1
470 1 54 LEU HA 1 54 LEU HG . . 2.760 2.506 2.426 2.607 . 0 0 "[ . 1 . 2]" 1
471 1 54 LEU HA 1 55 LYS QD . . 5.500 4.855 4.244 5.480 . 0 0 "[ . 1 . 2]" 1
472 1 54 LEU QB 1 55 LYS HA . . 5.500 4.226 4.197 4.247 . 0 0 "[ . 1 . 2]" 1
473 1 55 LYS H 1 55 LYS QD . . 3.100 2.667 2.105 3.112 0.012 12 0 "[ . 1 . 2]" 1
474 1 55 LYS HA 1 56 GLU QB . . 5.420 5.129 4.833 5.252 . 0 0 "[ . 1 . 2]" 1
475 1 56 GLU H 1 56 GLU QB . . 3.300 2.535 2.348 2.971 . 0 0 "[ . 1 . 2]" 1
476 1 56 GLU H 1 57 ILE H . . 3.730 3.297 3.263 3.358 . 0 0 "[ . 1 . 2]" 1
477 1 56 GLU HA 1 58 LYS QG . . 5.500 4.896 4.126 5.527 0.027 10 0 "[ . 1 . 2]" 1
478 1 57 ILE H 1 57 ILE HB . . 3.430 2.701 2.533 3.010 . 0 0 "[ . 1 . 2]" 1
479 1 57 ILE H 1 57 ILE MD . . 4.170 4.189 4.108 4.404 0.234 3 0 "[ . 1 . 2]" 1
480 1 57 ILE H 1 57 ILE QG . . 4.490 4.039 3.972 4.073 . 0 0 "[ . 1 . 2]" 1
481 1 57 ILE H 1 58 LYS H . . 4.580 4.522 4.355 4.559 . 0 0 "[ . 1 . 2]" 1
482 1 57 ILE HA 1 58 LYS H . . 3.210 2.158 2.140 2.172 . 0 0 "[ . 1 . 2]" 1
483 1 57 ILE MD 1 58 LYS H . . 4.380 2.387 1.941 3.576 . 0 0 "[ . 1 . 2]" 1
484 1 57 ILE MD 1 58 LYS QB . . 4.730 4.380 3.980 4.878 0.148 5 0 "[ . 1 . 2]" 1
485 1 57 ILE MD 1 58 LYS QG . . 5.500 4.724 3.551 5.480 . 0 0 "[ . 1 . 2]" 1
486 1 57 ILE MD 1 63 TRP HH2 . . 4.810 4.434 3.003 4.858 0.048 1 0 "[ . 1 . 2]" 1
487 1 57 ILE QG 1 58 LYS HA . . 4.430 3.688 3.520 4.179 . 0 0 "[ . 1 . 2]" 1
488 1 57 ILE MG 1 63 TRP HH2 . . 4.780 3.439 1.952 4.489 . 0 0 "[ . 1 . 2]" 1
489 1 57 ILE MG 1 63 TRP HZ2 . . 5.500 2.648 1.870 4.387 . 0 0 "[ . 1 . 2]" 1
490 1 58 LYS H 1 58 LYS QB . . 3.500 2.665 2.369 3.153 . 0 0 "[ . 1 . 2]" 1
491 1 58 LYS H 1 58 LYS QG . . 4.210 3.128 2.126 3.836 . 0 0 "[ . 1 . 2]" 1
492 1 63 TRP H 1 63 TRP HB3 . . 3.760 3.333 2.229 3.535 . 0 0 "[ . 1 . 2]" 1
493 1 63 TRP HB2 1 63 TRP HD1 . . 3.610 3.238 2.547 3.803 0.193 15 0 "[ . 1 . 2]" 1
494 1 63 TRP HB2 1 64 LEU HA . . 5.500 4.792 4.250 5.499 . 0 0 "[ . 1 . 2]" 1
495 1 63 TRP HB3 1 63 TRP HD1 . . 3.490 3.300 2.547 3.704 0.214 5 0 "[ . 1 . 2]" 1
496 1 63 TRP HB3 1 64 LEU H . . 3.980 3.365 2.086 4.024 0.044 10 0 "[ . 1 . 2]" 1
497 1 64 LEU H 1 64 LEU QB . . 3.230 2.673 2.147 3.119 . 0 0 "[ . 1 . 2]" 1
498 1 64 LEU HA 1 65 GLU H . . 3.110 2.474 2.146 2.806 . 0 0 "[ . 1 . 2]" 1
499 1 64 LEU QB 1 65 GLU H . . 3.830 3.344 1.924 3.848 0.018 14 0 "[ . 1 . 2]" 1
500 1 65 GLU H 1 65 GLU QB . . 3.240 2.687 2.457 3.147 . 0 0 "[ . 1 . 2]" 1
501 1 65 GLU H 1 65 GLU QG . . 4.380 2.558 1.922 4.228 . 0 0 "[ . 1 . 2]" 1
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