NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
527050 |
2lk0   |
17969 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lk0
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 292
_Distance_constraint_stats_list.Viol_count 973
_Distance_constraint_stats_list.Viol_total 2518.274
_Distance_constraint_stats_list.Viol_max 0.530
_Distance_constraint_stats_list.Viol_rms 0.0629
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0216
_Distance_constraint_stats_list.Viol_average_violations_only 0.1294
_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 11.840 0.437 6 0 "[ . 1 . 2]"
1 3 PHE 8.693 0.377 12 0 "[ . 1 . 2]"
1 4 GLU 13.379 0.448 12 0 "[ . 1 . 2]"
1 5 ASP 27.740 0.530 14 1 "[ . 1 +. 2]"
1 6 TRP 28.615 0.530 14 1 "[ . 1 +. 2]"
1 7 LEU 6.189 0.320 11 0 "[ . 1 . 2]"
1 8 CYS 7.483 0.390 9 0 "[ . 1 . 2]"
1 9 ASN 5.701 0.208 20 0 "[ . 1 . 2]"
1 10 LYS 0.232 0.146 3 0 "[ . 1 . 2]"
1 11 CYS 2.670 0.419 9 0 "[ . 1 . 2]"
1 12 CYS 0.459 0.236 4 0 "[ . 1 . 2]"
1 13 LEU 7.474 0.452 5 0 "[ . 1 . 2]"
1 14 ASN 5.921 0.393 5 0 "[ . 1 . 2]"
1 15 ASN 2.870 0.236 2 0 "[ . 1 . 2]"
1 16 PHE 0.367 0.117 5 0 "[ . 1 . 2]"
1 17 ARG 13.557 0.429 5 0 "[ . 1 . 2]"
1 18 LYS 2.402 0.182 12 0 "[ . 1 . 2]"
1 19 ARG 6.696 0.310 6 0 "[ . 1 . 2]"
1 20 LEU 1.389 0.365 4 0 "[ . 1 . 2]"
1 21 LYS 1.875 0.365 4 0 "[ . 1 . 2]"
1 22 CYS 5.364 0.280 3 0 "[ . 1 . 2]"
1 23 PHE 2.215 0.282 4 0 "[ . 1 . 2]"
1 24 ARG 14.389 0.452 5 0 "[ . 1 . 2]"
1 25 CYS 3.121 0.353 12 0 "[ . 1 . 2]"
1 26 GLY 3.097 0.143 10 0 "[ . 1 . 2]"
1 27 ALA 5.377 0.280 3 0 "[ . 1 . 2]"
1 28 ASP 3.085 0.232 7 0 "[ . 1 . 2]"
1 29 LYS 9.468 0.294 16 0 "[ . 1 . 2]"
1 30 PHE 12.321 0.294 16 0 "[ . 1 . 2]"
1 31 ASP 2.128 0.209 12 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 2 LYS H 1 2 LYS HB2 . . 2.950 2.493 2.333 2.606 . 0 0 "[ . 1 . 2]" 1
2 1 2 LYS H 1 2 LYS HB3 . . 2.950 2.840 2.683 2.969 0.019 12 0 "[ . 1 . 2]" 1
3 1 2 LYS H 1 2 LYS QG . . 3.950 4.043 3.940 4.163 0.213 7 0 "[ . 1 . 2]" 1
4 1 2 LYS H 1 3 PHE H . . 4.060 4.051 3.408 4.437 0.377 12 0 "[ . 1 . 2]" 1
5 1 2 LYS HA 1 2 LYS QB . . 2.620 2.515 2.466 2.573 . 0 0 "[ . 1 . 2]" 1
6 1 2 LYS HA 1 2 LYS QD . . 4.470 3.929 2.727 4.143 . 0 0 "[ . 1 . 2]" 1
7 1 2 LYS HA 1 3 PHE H . . 2.690 2.498 2.247 2.854 0.164 19 0 "[ . 1 . 2]" 1
8 1 2 LYS QB 1 3 PHE H . . 3.840 3.852 2.542 4.117 0.277 20 0 "[ . 1 . 2]" 1
9 1 2 LYS QB 1 5 ASP H . . 4.970 4.748 3.045 5.407 0.437 6 0 "[ . 1 . 2]" 1
10 1 3 PHE H 1 3 PHE HB2 . . 3.680 2.533 2.330 3.662 . 0 0 "[ . 1 . 2]" 1
11 1 3 PHE H 1 3 PHE QB . . 3.030 2.369 2.176 2.909 . 0 0 "[ . 1 . 2]" 1
12 1 3 PHE H 1 3 PHE HB3 . . 3.680 3.118 2.501 3.694 0.014 16 0 "[ . 1 . 2]" 1
13 1 3 PHE H 1 4 GLU H . . 3.560 3.501 3.139 3.723 0.163 12 0 "[ . 1 . 2]" 1
14 1 3 PHE HA 1 4 GLU H . . 2.760 2.731 2.550 3.042 0.282 6 0 "[ . 1 . 2]" 1
15 1 4 GLU H 1 4 GLU QG . . 4.000 4.154 4.026 4.301 0.301 8 0 "[ . 1 . 2]" 1
16 1 4 GLU H 1 5 ASP H . . 2.770 2.845 2.597 2.975 0.205 17 0 "[ . 1 . 2]" 1
17 1 4 GLU HA 1 4 GLU QG . . 3.630 2.298 2.210 2.413 . 0 0 "[ . 1 . 2]" 1
18 1 4 GLU HA 1 5 ASP H . . 2.520 2.554 2.434 2.673 0.153 6 0 "[ . 1 . 2]" 1
19 1 4 GLU QB 1 5 ASP H . . 4.460 4.141 4.036 4.166 . 0 0 "[ . 1 . 2]" 1
20 1 4 GLU QG 1 5 ASP H . . 3.910 4.211 4.037 4.358 0.448 12 0 "[ . 1 . 2]" 1
21 1 5 ASP H 1 5 ASP QB . . 2.840 2.980 2.563 3.265 0.425 20 0 "[ . 1 . 2]" 1
22 1 5 ASP H 1 6 TRP H . . 4.520 4.462 4.395 4.743 0.223 5 0 "[ . 1 . 2]" 1
23 1 5 ASP H 1 17 ARG QB . . 4.090 4.269 4.117 4.473 0.383 14 0 "[ . 1 . 2]" 1
24 1 5 ASP HA 1 6 TRP H . . 2.530 2.598 2.541 2.681 0.151 8 0 "[ . 1 . 2]" 1
25 1 5 ASP HA 1 6 TRP HD1 . . 3.740 3.225 3.022 3.559 . 0 0 "[ . 1 . 2]" 1
26 1 5 ASP HA 1 17 ARG H . . 3.070 2.419 2.225 2.607 . 0 0 "[ . 1 . 2]" 1
27 1 5 ASP HA 1 17 ARG HA . . 3.070 3.262 3.147 3.425 0.355 9 0 "[ . 1 . 2]" 1
28 1 5 ASP QB 1 6 TRP H . . 2.750 2.335 2.250 2.401 . 0 0 "[ . 1 . 2]" 1
29 1 5 ASP QB 1 14 ASN QD . . 4.290 3.332 1.951 4.152 . 0 0 "[ . 1 . 2]" 1
30 1 5 ASP HB2 1 6 TRP H . . 3.250 2.972 2.270 3.418 0.168 12 0 "[ . 1 . 2]" 1
31 1 5 ASP HB3 1 6 TRP H . . 3.250 2.852 2.299 3.780 0.530 14 1 "[ . 1 +. 2]" 1
32 1 6 TRP H 1 6 TRP HB3 . . 3.890 3.409 3.293 3.495 . 0 0 "[ . 1 . 2]" 1
33 1 6 TRP H 1 6 TRP HD1 . . 3.290 3.125 2.981 3.288 . 0 0 "[ . 1 . 2]" 1
34 1 6 TRP H 1 14 ASN QB . . 4.800 4.989 4.848 5.193 0.393 5 0 "[ . 1 . 2]" 1
35 1 6 TRP H 1 15 ASN H . . 3.300 2.534 2.353 2.893 . 0 0 "[ . 1 . 2]" 1
36 1 6 TRP H 1 15 ASN QB . . 4.830 3.651 3.436 4.015 . 0 0 "[ . 1 . 2]" 1
37 1 6 TRP HA 1 6 TRP HB2 . . 2.730 2.571 2.483 2.596 . 0 0 "[ . 1 . 2]" 1
38 1 6 TRP HA 1 6 TRP HB3 . . 2.660 2.435 2.405 2.459 . 0 0 "[ . 1 . 2]" 1
39 1 6 TRP HA 1 7 LEU H . . 2.410 2.472 2.414 2.527 0.117 6 0 "[ . 1 . 2]" 1
40 1 6 TRP HB2 1 6 TRP HD1 . . 3.700 3.704 3.672 3.757 0.057 11 0 "[ . 1 . 2]" 1
41 1 6 TRP HB2 1 6 TRP HE3 . . 2.810 2.764 2.648 2.830 0.020 9 0 "[ . 1 . 2]" 1
42 1 6 TRP HB2 1 7 LEU H . . 3.150 2.521 2.430 2.598 . 0 0 "[ . 1 . 2]" 1
43 1 6 TRP HB2 1 29 LYS QE . . 4.730 3.021 2.538 3.508 . 0 0 "[ . 1 . 2]" 1
44 1 6 TRP HB3 1 6 TRP HD1 . . 3.010 2.518 2.474 2.591 . 0 0 "[ . 1 . 2]" 1
45 1 6 TRP HB3 1 7 LEU H . . 3.650 3.794 3.713 3.855 0.205 8 0 "[ . 1 . 2]" 1
46 1 6 TRP HB3 1 29 LYS QE . . 3.840 3.047 2.714 3.668 . 0 0 "[ . 1 . 2]" 1
47 1 6 TRP HD1 1 17 ARG H . . 4.640 4.265 4.064 4.549 . 0 0 "[ . 1 . 2]" 1
48 1 6 TRP HD1 1 17 ARG HA . . 2.560 2.163 2.049 2.209 . 0 0 "[ . 1 . 2]" 1
49 1 6 TRP HD1 1 17 ARG QB . . 5.340 4.057 3.927 4.223 . 0 0 "[ . 1 . 2]" 1
50 1 6 TRP HD1 1 29 LYS QE . . 3.550 3.016 2.564 3.590 0.040 8 0 "[ . 1 . 2]" 1
51 1 6 TRP HE1 1 19 ARG H . . 4.230 3.267 2.995 3.580 . 0 0 "[ . 1 . 2]" 1
52 1 6 TRP HE1 1 19 ARG QB . . 4.040 2.882 2.441 3.453 . 0 0 "[ . 1 . 2]" 1
53 1 6 TRP HE3 1 7 LEU QB . . 5.240 4.348 4.208 4.482 . 0 0 "[ . 1 . 2]" 1
54 1 6 TRP HE3 1 8 CYS HA . . 3.240 2.833 2.602 3.094 . 0 0 "[ . 1 . 2]" 1
55 1 6 TRP HE3 1 29 LYS HA . . 4.190 3.955 3.688 4.256 0.066 4 0 "[ . 1 . 2]" 1
56 1 6 TRP HE3 1 29 LYS QE . . 4.190 4.089 3.686 4.384 0.194 2 0 "[ . 1 . 2]" 1
57 1 6 TRP HE3 1 29 LYS QG . . 5.340 4.465 3.168 5.341 0.001 3 0 "[ . 1 . 2]" 1
58 1 6 TRP HH2 1 8 CYS QB . . 3.620 3.911 3.776 4.010 0.390 9 0 "[ . 1 . 2]" 1
59 1 6 TRP HH2 1 15 ASN QB . . 3.290 3.420 3.136 3.526 0.236 2 0 "[ . 1 . 2]" 1
60 1 6 TRP HH2 1 21 LYS HA . . 3.590 3.242 3.065 3.500 . 0 0 "[ . 1 . 2]" 1
61 1 6 TRP HH2 1 22 CYS H . . 3.000 2.782 2.621 3.097 0.097 7 0 "[ . 1 . 2]" 1
62 1 6 TRP HH2 1 22 CYS HA . . 3.250 2.274 2.200 2.335 . 0 0 "[ . 1 . 2]" 1
63 1 6 TRP HH2 1 22 CYS HB2 . . 3.850 2.580 2.433 2.749 . 0 0 "[ . 1 . 2]" 1
64 1 6 TRP HH2 1 22 CYS QB . . 3.070 2.550 2.410 2.709 . 0 0 "[ . 1 . 2]" 1
65 1 6 TRP HH2 1 22 CYS HB3 . . 3.850 4.002 3.898 4.087 0.237 9 0 "[ . 1 . 2]" 1
66 1 6 TRP HZ2 1 15 ASN QB . . 4.570 2.780 2.614 2.996 . 0 0 "[ . 1 . 2]" 1
67 1 6 TRP HZ2 1 19 ARG HB2 . . 3.630 3.585 3.333 3.795 0.165 5 0 "[ . 1 . 2]" 1
68 1 6 TRP HZ2 1 19 ARG HB3 . . 3.630 2.269 2.169 2.450 . 0 0 "[ . 1 . 2]" 1
69 1 6 TRP HZ2 1 20 LEU HA . . 4.920 4.596 3.766 4.914 . 0 0 "[ . 1 . 2]" 1
70 1 6 TRP HZ2 1 21 LYS HA . . 5.270 3.644 3.402 4.201 . 0 0 "[ . 1 . 2]" 1
71 1 6 TRP HZ2 1 22 CYS H . . 4.580 4.496 4.110 4.823 0.243 7 0 "[ . 1 . 2]" 1
72 1 6 TRP HZ2 1 22 CYS HA . . 4.520 3.668 3.396 3.946 . 0 0 "[ . 1 . 2]" 1
73 1 6 TRP HZ2 1 29 LYS QG . . 3.940 3.601 2.963 3.966 0.026 6 0 "[ . 1 . 2]" 1
74 1 6 TRP HZ3 1 8 CYS HA . . 2.720 2.234 2.157 2.324 . 0 0 "[ . 1 . 2]" 1
75 1 6 TRP HZ3 1 8 CYS HB2 . . 3.840 2.334 2.259 2.392 . 0 0 "[ . 1 . 2]" 1
76 1 6 TRP HZ3 1 8 CYS QB . . 3.040 2.315 2.244 2.374 . 0 0 "[ . 1 . 2]" 1
77 1 6 TRP HZ3 1 8 CYS HB3 . . 3.840 3.873 3.791 3.994 0.154 6 0 "[ . 1 . 2]" 1
78 1 6 TRP HZ3 1 9 ASN H . . 4.300 4.190 4.023 4.482 0.182 5 0 "[ . 1 . 2]" 1
79 1 7 LEU H 1 7 LEU QB . . 3.490 2.518 2.294 2.766 . 0 0 "[ . 1 . 2]" 1
80 1 7 LEU H 1 7 LEU HG . . 4.030 3.358 2.438 4.233 0.203 20 0 "[ . 1 . 2]" 1
81 1 7 LEU H 1 8 CYS H . . 5.090 4.501 4.397 4.609 . 0 0 "[ . 1 . 2]" 1
82 1 7 LEU HA 1 7 LEU MD1 . . 4.670 3.455 2.353 3.796 . 0 0 "[ . 1 . 2]" 1
83 1 7 LEU HA 1 7 LEU QD . . 4.040 2.945 2.336 3.337 . 0 0 "[ . 1 . 2]" 1
84 1 7 LEU HA 1 7 LEU MD2 . . 4.670 3.410 2.590 4.192 . 0 0 "[ . 1 . 2]" 1
85 1 7 LEU HA 1 7 LEU HG . . 3.590 2.711 2.210 3.729 0.139 1 0 "[ . 1 . 2]" 1
86 1 7 LEU HA 1 14 ASN HA . . 3.070 2.295 2.174 2.543 . 0 0 "[ . 1 . 2]" 1
87 1 7 LEU HA 1 15 ASN H . . 3.810 3.629 3.209 3.817 0.007 16 0 "[ . 1 . 2]" 1
88 1 7 LEU QB 1 8 CYS H . . 4.530 3.233 2.875 3.876 . 0 0 "[ . 1 . 2]" 1
89 1 7 LEU QD 1 8 CYS H . . 4.680 3.758 2.242 4.430 . 0 0 "[ . 1 . 2]" 1
90 1 7 LEU QD 1 13 LEU HA . . 4.900 4.371 3.426 5.220 0.320 11 0 "[ . 1 . 2]" 1
91 1 7 LEU QD 1 14 ASN HA . . 4.470 3.577 2.956 4.564 0.094 11 0 "[ . 1 . 2]" 1
92 1 7 LEU QD 1 14 ASN QD . . 5.940 3.550 1.980 5.571 . 0 0 "[ . 1 . 2]" 1
93 1 7 LEU MD1 1 14 ASN HA . . 5.230 4.410 3.189 5.046 . 0 0 "[ . 1 . 2]" 1
94 1 7 LEU MD2 1 14 ASN HA . . 5.230 4.060 2.991 5.296 0.066 6 0 "[ . 1 . 2]" 1
95 1 7 LEU HG 1 8 CYS H . . 4.710 4.417 3.581 4.760 0.050 14 0 "[ . 1 . 2]" 1
96 1 8 CYS H 1 8 CYS HB2 . . 2.940 2.466 2.388 2.625 . 0 0 "[ . 1 . 2]" 1
97 1 8 CYS H 1 8 CYS QB . . 2.570 2.237 2.203 2.300 . 0 0 "[ . 1 . 2]" 1
98 1 8 CYS H 1 8 CYS HB3 . . 2.940 2.576 2.471 2.718 . 0 0 "[ . 1 . 2]" 1
99 1 8 CYS H 1 12 CYS HA . . 4.000 3.637 3.274 4.236 0.236 4 0 "[ . 1 . 2]" 1
100 1 8 CYS H 1 14 ASN HA . . 3.740 3.626 3.111 3.921 0.181 8 0 "[ . 1 . 2]" 1
101 1 8 CYS HA 1 9 ASN H . . 2.620 2.335 2.224 2.391 . 0 0 "[ . 1 . 2]" 1
102 1 8 CYS QB 1 11 CYS H . . 3.960 2.731 2.581 2.996 . 0 0 "[ . 1 . 2]" 1
103 1 8 CYS QB 1 12 CYS H . . 4.180 2.535 2.392 2.786 . 0 0 "[ . 1 . 2]" 1
104 1 9 ASN H 1 9 ASN HB2 . . 3.470 2.712 2.248 3.678 0.208 20 0 "[ . 1 . 2]" 1
105 1 9 ASN H 1 9 ASN QB . . 3.020 2.403 2.209 2.941 . 0 0 "[ . 1 . 2]" 1
106 1 9 ASN H 1 9 ASN HB3 . . 3.470 3.085 2.548 3.244 . 0 0 "[ . 1 . 2]" 1
107 1 9 ASN H 1 10 LYS H . . 3.150 2.820 2.706 2.902 . 0 0 "[ . 1 . 2]" 1
108 1 9 ASN HA 1 9 ASN HB2 . . 2.850 2.761 2.317 2.931 0.081 5 0 "[ . 1 . 2]" 1
109 1 9 ASN HA 1 9 ASN QB . . 2.430 2.470 2.160 2.613 0.183 5 0 "[ . 1 . 2]" 1
110 1 9 ASN HA 1 9 ASN HB3 . . 2.850 2.798 2.333 2.993 0.143 9 0 "[ . 1 . 2]" 1
111 1 9 ASN QB 1 9 ASN QD . . 3.060 2.290 2.177 2.536 . 0 0 "[ . 1 . 2]" 1
112 1 10 LYS H 1 11 CYS H . . 3.160 2.275 2.196 2.366 . 0 0 "[ . 1 . 2]" 1
113 1 10 LYS HA 1 10 LYS HD2 . . 4.290 3.269 2.266 4.210 . 0 0 "[ . 1 . 2]" 1
114 1 10 LYS HA 1 10 LYS QD . . 3.470 2.787 2.224 3.541 0.071 1 0 "[ . 1 . 2]" 1
115 1 10 LYS HA 1 10 LYS HD3 . . 4.290 3.383 2.251 4.436 0.146 3 0 "[ . 1 . 2]" 1
116 1 10 LYS QB 1 10 LYS HD2 . . 3.610 2.651 2.275 3.445 . 0 0 "[ . 1 . 2]" 1
117 1 10 LYS QB 1 10 LYS HD3 . . 3.610 2.735 2.286 3.370 . 0 0 "[ . 1 . 2]" 1
118 1 10 LYS QB 1 11 CYS H . . 3.800 2.325 2.265 2.397 . 0 0 "[ . 1 . 2]" 1
119 1 11 CYS H 1 11 CYS QB . . 3.660 2.756 2.663 2.838 . 0 0 "[ . 1 . 2]" 1
120 1 11 CYS H 1 12 CYS H . . 3.000 2.442 2.381 2.521 . 0 0 "[ . 1 . 2]" 1
121 1 11 CYS QB 1 24 ARG QD . . 3.770 3.050 2.219 3.863 0.093 20 0 "[ . 1 . 2]" 1
122 1 11 CYS QB 1 24 ARG HE . . 4.120 3.539 2.157 4.539 0.419 9 0 "[ . 1 . 2]" 1
123 1 12 CYS H 1 12 CYS HA . . 2.860 2.251 2.192 2.270 . 0 0 "[ . 1 . 2]" 1
124 1 13 LEU HA 1 13 LEU QD . . 3.950 2.469 2.174 2.991 . 0 0 "[ . 1 . 2]" 1
125 1 13 LEU HA 1 13 LEU HG . . 3.640 2.899 2.306 3.715 0.075 3 0 "[ . 1 . 2]" 1
126 1 13 LEU HA 1 14 ASN H . . 2.510 2.300 2.247 2.346 . 0 0 "[ . 1 . 2]" 1
127 1 13 LEU QB 1 14 ASN H . . 3.890 3.709 3.592 3.861 . 0 0 "[ . 1 . 2]" 1
128 1 13 LEU QD 1 14 ASN H . . 4.230 2.901 2.077 3.514 . 0 0 "[ . 1 . 2]" 1
129 1 13 LEU QD 1 23 PHE H . . 4.870 3.554 3.365 3.893 . 0 0 "[ . 1 . 2]" 1
130 1 13 LEU QD 1 23 PHE HB2 . . 4.510 4.516 4.257 4.705 0.195 3 0 "[ . 1 . 2]" 1
131 1 13 LEU QD 1 23 PHE HB3 . . 3.790 3.708 3.655 3.786 . 0 0 "[ . 1 . 2]" 1
132 1 13 LEU QD 1 23 PHE QD . . 6.280 4.910 4.680 5.204 . 0 0 "[ . 1 . 2]" 1
133 1 13 LEU QD 1 24 ARG H . . 4.000 3.331 2.748 4.150 0.150 3 0 "[ . 1 . 2]" 1
134 1 13 LEU QD 1 24 ARG QB . . 4.230 2.140 1.903 2.729 . 0 0 "[ . 1 . 2]" 1
135 1 13 LEU QD 1 24 ARG QD . . 5.010 3.032 2.233 4.168 . 0 0 "[ . 1 . 2]" 1
136 1 13 LEU QD 1 24 ARG QG . . 3.310 3.133 2.241 3.515 0.205 9 0 "[ . 1 . 2]" 1
137 1 13 LEU QD 1 25 CYS H . . 6.420 4.546 4.214 5.131 . 0 0 "[ . 1 . 2]" 1
138 1 13 LEU MD1 1 24 ARG HE . . 6.130 2.986 2.062 5.979 . 0 0 "[ . 1 . 2]" 1
139 1 13 LEU MD1 1 24 ARG HG2 . . 5.630 4.392 2.287 5.187 . 0 0 "[ . 1 . 2]" 1
140 1 13 LEU MD1 1 24 ARG HG3 . . 5.630 4.104 3.351 5.192 . 0 0 "[ . 1 . 2]" 1
141 1 13 LEU MD2 1 24 ARG HE . . 6.130 3.487 2.452 5.105 . 0 0 "[ . 1 . 2]" 1
142 1 13 LEU MD2 1 24 ARG HG2 . . 5.630 4.284 3.655 5.291 . 0 0 "[ . 1 . 2]" 1
143 1 13 LEU MD2 1 24 ARG HG3 . . 5.630 4.037 3.061 5.160 . 0 0 "[ . 1 . 2]" 1
144 1 13 LEU HG 1 14 ASN H . . 4.390 2.923 2.225 4.598 0.208 8 0 "[ . 1 . 2]" 1
145 1 13 LEU HG 1 24 ARG HE . . 4.560 4.380 2.302 5.012 0.452 5 0 "[ . 1 . 2]" 1
146 1 14 ASN H 1 14 ASN HB2 . . 3.090 2.518 2.186 3.109 0.019 5 0 "[ . 1 . 2]" 1
147 1 14 ASN H 1 14 ASN QB . . 2.650 2.198 2.149 2.234 . 0 0 "[ . 1 . 2]" 1
148 1 14 ASN H 1 14 ASN HB3 . . 3.090 2.803 2.238 3.256 0.166 9 0 "[ . 1 . 2]" 1
149 1 14 ASN HA 1 15 ASN H . . 2.540 2.382 2.328 2.481 . 0 0 "[ . 1 . 2]" 1
150 1 14 ASN QB 1 14 ASN QD . . 2.890 2.330 2.211 2.497 . 0 0 "[ . 1 . 2]" 1
151 1 14 ASN QB 1 15 ASN H . . 4.060 3.467 2.941 4.029 . 0 0 "[ . 1 . 2]" 1
152 1 15 ASN H 1 15 ASN QB . . 3.080 2.663 2.364 3.133 0.053 10 0 "[ . 1 . 2]" 1
153 1 15 ASN HA 1 16 PHE H . . 2.630 2.279 2.235 2.327 . 0 0 "[ . 1 . 2]" 1
154 1 15 ASN QB 1 19 ARG QB . . 4.180 2.548 2.225 2.864 . 0 0 "[ . 1 . 2]" 1
155 1 16 PHE H 1 16 PHE HB2 . . 3.380 2.232 2.072 2.317 . 0 0 "[ . 1 . 2]" 1
156 1 16 PHE H 1 16 PHE QB . . 2.850 2.196 2.052 2.254 . 0 0 "[ . 1 . 2]" 1
157 1 16 PHE H 1 16 PHE HB3 . . 3.380 3.307 2.766 3.497 0.117 5 0 "[ . 1 . 2]" 1
158 1 16 PHE HA 1 17 ARG H . . 2.420 2.349 2.303 2.408 . 0 0 "[ . 1 . 2]" 1
159 1 16 PHE QB 1 17 ARG H . . 4.370 3.220 3.007 3.529 . 0 0 "[ . 1 . 2]" 1
160 1 16 PHE QB 1 18 LYS QB . . 3.190 2.788 2.528 3.028 . 0 0 "[ . 1 . 2]" 1
161 1 16 PHE QD 1 17 ARG H . . 5.430 2.599 2.240 3.022 . 0 0 "[ . 1 . 2]" 1
162 1 16 PHE QD 1 17 ARG QG . . 5.580 5.169 4.681 5.538 . 0 0 "[ . 1 . 2]" 1
163 1 16 PHE QD 1 18 LYS H . . 5.670 2.583 2.167 4.900 . 0 0 "[ . 1 . 2]" 1
164 1 16 PHE QD 1 18 LYS HB2 . . 5.120 3.173 2.291 3.907 . 0 0 "[ . 1 . 2]" 1
165 1 16 PHE QD 1 18 LYS QB . . 4.380 3.027 2.140 3.454 . 0 0 "[ . 1 . 2]" 1
166 1 16 PHE QD 1 18 LYS HB3 . . 5.120 4.207 2.440 5.062 . 0 0 "[ . 1 . 2]" 1
167 1 16 PHE QD 1 18 LYS QD . . 6.370 4.651 3.339 6.052 . 0 0 "[ . 1 . 2]" 1
168 1 16 PHE QD 1 18 LYS QE . . 7.260 5.876 3.669 6.941 . 0 0 "[ . 1 . 2]" 1
169 1 16 PHE QD 1 18 LYS QG . . 6.130 4.455 3.127 5.263 . 0 0 "[ . 1 . 2]" 1
170 1 16 PHE QD 1 19 ARG H . . 7.390 4.481 4.180 5.170 . 0 0 "[ . 1 . 2]" 1
171 1 16 PHE QE 1 18 LYS QD . . 8.520 5.333 2.748 7.586 . 0 0 "[ . 1 . 2]" 1
172 1 16 PHE QE 1 18 LYS QG . . 8.300 5.486 3.896 6.558 . 0 0 "[ . 1 . 2]" 1
173 1 17 ARG H 1 17 ARG HB2 . . 3.280 2.224 2.123 2.278 . 0 0 "[ . 1 . 2]" 1
174 1 17 ARG H 1 17 ARG QB . . 2.690 2.200 2.104 2.252 . 0 0 "[ . 1 . 2]" 1
175 1 17 ARG H 1 17 ARG HB3 . . 3.280 3.507 3.273 3.572 0.292 9 0 "[ . 1 . 2]" 1
176 1 17 ARG H 1 17 ARG QD . . 5.020 4.486 4.256 4.945 . 0 0 "[ . 1 . 2]" 1
177 1 17 ARG H 1 17 ARG QG . . 3.150 3.210 3.002 3.579 0.429 5 0 "[ . 1 . 2]" 1
178 1 17 ARG H 1 18 LYS H . . 5.500 2.777 2.584 4.098 . 0 0 "[ . 1 . 2]" 1
179 1 17 ARG QB 1 17 ARG QD . . 3.450 2.243 2.092 2.492 . 0 0 "[ . 1 . 2]" 1
180 1 17 ARG QB 1 17 ARG QG . . 2.210 2.084 2.008 2.144 . 0 0 "[ . 1 . 2]" 1
181 1 18 LYS H 1 19 ARG H . . 3.260 2.673 2.288 2.911 . 0 0 "[ . 1 . 2]" 1
182 1 18 LYS HA 1 18 LYS HB2 . . 2.990 2.845 2.395 3.107 0.117 15 0 "[ . 1 . 2]" 1
183 1 18 LYS HA 1 18 LYS QB . . 2.610 2.539 2.317 2.643 0.033 10 0 "[ . 1 . 2]" 1
184 1 18 LYS HA 1 18 LYS HB3 . . 2.990 2.936 2.607 3.084 0.094 16 0 "[ . 1 . 2]" 1
185 1 18 LYS HA 1 18 LYS QD . . 4.110 3.485 2.255 4.124 0.014 7 0 "[ . 1 . 2]" 1
186 1 18 LYS HA 1 18 LYS QG . . 3.690 2.360 2.150 2.603 . 0 0 "[ . 1 . 2]" 1
187 1 18 LYS HA 1 19 ARG H . . 3.530 3.544 3.447 3.636 0.106 8 0 "[ . 1 . 2]" 1
188 1 18 LYS QB 1 18 LYS QD . . 3.250 2.195 2.081 2.430 . 0 0 "[ . 1 . 2]" 1
189 1 18 LYS QB 1 19 ARG H . . 3.290 3.107 2.482 3.472 0.182 12 0 "[ . 1 . 2]" 1
190 1 19 ARG H 1 19 ARG HB2 . . 3.120 2.240 2.174 2.305 . 0 0 "[ . 1 . 2]" 1
191 1 19 ARG H 1 19 ARG HB3 . . 3.120 3.182 3.035 3.352 0.232 19 0 "[ . 1 . 2]" 1
192 1 19 ARG H 1 19 ARG QG . . 4.250 3.852 3.423 4.097 . 0 0 "[ . 1 . 2]" 1
193 1 19 ARG H 1 20 LEU H . . 5.500 4.584 4.312 4.711 . 0 0 "[ . 1 . 2]" 1
194 1 19 ARG HA 1 19 ARG HD2 . . 4.160 3.705 2.362 4.470 0.310 6 0 "[ . 1 . 2]" 1
195 1 19 ARG HA 1 19 ARG QD . . 3.650 3.022 2.283 3.922 0.272 17 0 "[ . 1 . 2]" 1
196 1 19 ARG HA 1 19 ARG HD3 . . 4.160 3.555 2.300 4.433 0.273 17 0 "[ . 1 . 2]" 1
197 1 19 ARG HA 1 19 ARG QG . . 3.920 2.315 2.200 2.472 . 0 0 "[ . 1 . 2]" 1
198 1 19 ARG HA 1 20 LEU H . . 2.520 2.372 2.257 2.483 . 0 0 "[ . 1 . 2]" 1
199 1 19 ARG HA 1 21 LYS H . . 5.500 4.015 3.467 4.700 . 0 0 "[ . 1 . 2]" 1
200 1 19 ARG QB 1 19 ARG QD . . 3.270 2.282 2.125 2.618 . 0 0 "[ . 1 . 2]" 1
201 1 19 ARG QB 1 20 LEU H . . 4.230 3.245 2.445 3.947 . 0 0 "[ . 1 . 2]" 1
202 1 19 ARG QB 1 21 LYS H . . 3.520 2.930 2.340 3.635 0.115 11 0 "[ . 1 . 2]" 1
203 1 19 ARG QD 1 23 PHE H . . 4.650 4.179 2.727 4.710 0.060 20 0 "[ . 1 . 2]" 1
204 1 19 ARG HE 1 23 PHE H . . 5.500 4.459 2.965 5.782 0.282 4 0 "[ . 1 . 2]" 1
205 1 20 LEU H 1 20 LEU QB . . 3.520 2.543 2.228 3.206 . 0 0 "[ . 1 . 2]" 1
206 1 20 LEU H 1 20 LEU HG . . 4.240 2.937 2.195 3.632 . 0 0 "[ . 1 . 2]" 1
207 1 20 LEU H 1 21 LYS H . . 2.660 2.517 2.130 3.025 0.365 4 0 "[ . 1 . 2]" 1
208 1 20 LEU HA 1 20 LEU QD . . 3.700 2.807 2.225 3.575 . 0 0 "[ . 1 . 2]" 1
209 1 20 LEU QB 1 21 LYS H . . 4.550 3.480 2.800 3.965 . 0 0 "[ . 1 . 2]" 1
210 1 21 LYS H 1 21 LYS QB . . 3.680 3.133 2.568 3.525 . 0 0 "[ . 1 . 2]" 1
211 1 21 LYS H 1 21 LYS QG . . 4.610 2.843 2.313 4.110 . 0 0 "[ . 1 . 2]" 1
212 1 21 LYS HA 1 28 ASP HA . . 3.070 2.268 2.135 2.900 . 0 0 "[ . 1 . 2]" 1
213 1 21 LYS HA 1 29 LYS H . . 3.630 2.926 2.331 3.841 0.211 4 0 "[ . 1 . 2]" 1
214 1 21 LYS QB 1 22 CYS H . . 4.500 2.568 2.210 3.130 . 0 0 "[ . 1 . 2]" 1
215 1 22 CYS H 1 22 CYS HB2 . . 3.060 2.458 2.382 2.585 . 0 0 "[ . 1 . 2]" 1
216 1 22 CYS H 1 22 CYS QB . . 2.620 2.232 2.196 2.275 . 0 0 "[ . 1 . 2]" 1
217 1 22 CYS H 1 22 CYS HB3 . . 3.060 2.567 2.462 2.663 . 0 0 "[ . 1 . 2]" 1
218 1 22 CYS H 1 26 GLY H . . 5.500 4.327 3.837 4.615 . 0 0 "[ . 1 . 2]" 1
219 1 22 CYS HA 1 23 PHE H . . 2.630 2.273 2.156 2.351 . 0 0 "[ . 1 . 2]" 1
220 1 22 CYS QB 1 26 GLY H . . 2.900 2.585 2.349 2.908 0.008 16 0 "[ . 1 . 2]" 1
221 1 22 CYS QB 1 27 ALA H . . 2.910 2.897 2.210 3.190 0.280 3 0 "[ . 1 . 2]" 1
222 1 23 PHE H 1 23 PHE HB2 . . 3.010 2.350 2.294 2.434 . 0 0 "[ . 1 . 2]" 1
223 1 23 PHE H 1 23 PHE HB3 . . 3.030 2.776 2.675 3.013 . 0 0 "[ . 1 . 2]" 1
224 1 23 PHE H 1 24 ARG H . . 3.460 2.574 2.437 2.761 . 0 0 "[ . 1 . 2]" 1
225 1 23 PHE HA 1 23 PHE HB2 . . 2.690 2.692 2.615 2.832 0.142 19 0 "[ . 1 . 2]" 1
226 1 23 PHE HB2 1 24 ARG H . . 4.760 4.215 3.935 4.464 . 0 0 "[ . 1 . 2]" 1
227 1 23 PHE HB3 1 24 ARG H . . 3.870 3.610 3.101 4.031 0.161 4 0 "[ . 1 . 2]" 1
228 1 24 ARG H 1 24 ARG HB2 . . 3.480 2.733 2.280 3.203 . 0 0 "[ . 1 . 2]" 1
229 1 24 ARG H 1 24 ARG QB . . 2.770 2.291 2.162 2.497 . 0 0 "[ . 1 . 2]" 1
230 1 24 ARG H 1 24 ARG HB3 . . 3.480 2.559 2.341 2.780 . 0 0 "[ . 1 . 2]" 1
231 1 24 ARG H 1 24 ARG HG2 . . 4.690 4.467 4.341 4.654 . 0 0 "[ . 1 . 2]" 1
232 1 24 ARG H 1 24 ARG QG . . 3.870 3.920 3.856 4.009 0.139 11 0 "[ . 1 . 2]" 1
233 1 24 ARG H 1 24 ARG HG3 . . 4.690 4.356 4.124 4.563 . 0 0 "[ . 1 . 2]" 1
234 1 24 ARG H 1 25 CYS H . . 2.870 2.538 2.266 2.985 0.115 8 0 "[ . 1 . 2]" 1
235 1 24 ARG H 1 26 GLY H . . 4.390 3.080 2.582 3.545 . 0 0 "[ . 1 . 2]" 1
236 1 24 ARG HA 1 24 ARG QD . . 4.110 3.518 2.206 4.105 . 0 0 "[ . 1 . 2]" 1
237 1 24 ARG QB 1 24 ARG QD . . 2.760 2.258 2.125 2.514 . 0 0 "[ . 1 . 2]" 1
238 1 24 ARG QB 1 24 ARG HE . . 3.170 3.145 2.800 3.437 0.267 2 0 "[ . 1 . 2]" 1
239 1 24 ARG QB 1 24 ARG QG . . 2.320 2.091 2.017 2.122 . 0 0 "[ . 1 . 2]" 1
240 1 24 ARG QB 1 25 CYS H . . 3.010 2.345 2.163 2.534 . 0 0 "[ . 1 . 2]" 1
241 1 24 ARG HB2 1 24 ARG HD2 . . 4.090 3.401 2.804 3.783 . 0 0 "[ . 1 . 2]" 1
242 1 24 ARG HB2 1 24 ARG HD3 . . 4.090 3.157 2.295 4.120 0.030 8 0 "[ . 1 . 2]" 1
243 1 24 ARG HB2 1 25 CYS H . . 3.830 3.746 3.454 3.953 0.123 3 0 "[ . 1 . 2]" 1
244 1 24 ARG HB3 1 24 ARG HD2 . . 4.090 3.266 2.251 4.163 0.073 10 0 "[ . 1 . 2]" 1
245 1 24 ARG HB3 1 24 ARG HD3 . . 4.090 3.395 2.263 3.676 . 0 0 "[ . 1 . 2]" 1
246 1 24 ARG HB3 1 25 CYS H . . 3.830 2.370 2.186 2.565 . 0 0 "[ . 1 . 2]" 1
247 1 24 ARG QD 1 24 ARG QG . . 2.340 2.027 1.999 2.071 . 0 0 "[ . 1 . 2]" 1
248 1 24 ARG HE 1 24 ARG HG2 . . 3.590 2.875 2.239 3.631 0.041 1 0 "[ . 1 . 2]" 1
249 1 24 ARG HE 1 24 ARG QG . . 2.940 2.300 2.214 2.392 . 0 0 "[ . 1 . 2]" 1
250 1 24 ARG HE 1 24 ARG HG3 . . 3.590 2.999 2.309 3.596 0.006 4 0 "[ . 1 . 2]" 1
251 1 24 ARG QG 1 25 CYS H . . 3.620 3.450 2.889 3.973 0.353 12 0 "[ . 1 . 2]" 1
252 1 25 CYS H 1 25 CYS HB2 . . 3.890 3.687 3.630 3.719 . 0 0 "[ . 1 . 2]" 1
253 1 25 CYS H 1 25 CYS QB . . 3.200 2.691 2.586 2.837 . 0 0 "[ . 1 . 2]" 1
254 1 25 CYS H 1 25 CYS HB3 . . 3.890 2.767 2.641 2.952 . 0 0 "[ . 1 . 2]" 1
255 1 25 CYS H 1 26 GLY H . . 2.820 2.391 2.320 2.462 . 0 0 "[ . 1 . 2]" 1
256 1 26 GLY H 1 26 GLY HA2 . . 2.900 2.339 2.310 2.353 . 0 0 "[ . 1 . 2]" 1
257 1 26 GLY H 1 26 GLY QA . . 2.440 2.254 2.203 2.268 . 0 0 "[ . 1 . 2]" 1
258 1 26 GLY H 1 26 GLY HA3 . . 2.900 2.950 2.780 2.967 0.067 1 0 "[ . 1 . 2]" 1
259 1 26 GLY H 1 27 ALA H . . 3.290 2.893 2.585 3.185 . 0 0 "[ . 1 . 2]" 1
260 1 26 GLY QA 1 27 ALA MB . . 4.190 4.288 4.236 4.333 0.143 10 0 "[ . 1 . 2]" 1
261 1 27 ALA H 1 28 ASP H . . 4.610 4.684 4.585 4.748 0.138 13 0 "[ . 1 . 2]" 1
262 1 27 ALA HA 1 28 ASP H . . 2.400 2.411 2.339 2.489 0.089 9 0 "[ . 1 . 2]" 1
263 1 27 ALA MB 1 28 ASP H . . 3.940 2.658 2.406 2.896 . 0 0 "[ . 1 . 2]" 1
264 1 28 ASP H 1 28 ASP HA . . 2.920 2.877 2.815 2.969 0.049 20 0 "[ . 1 . 2]" 1
265 1 28 ASP H 1 28 ASP HB2 . . 3.040 2.456 2.330 2.929 . 0 0 "[ . 1 . 2]" 1
266 1 28 ASP H 1 28 ASP QB . . 2.480 2.295 2.217 2.364 . 0 0 "[ . 1 . 2]" 1
267 1 28 ASP H 1 28 ASP HB3 . . 3.040 2.822 2.488 2.991 . 0 0 "[ . 1 . 2]" 1
268 1 28 ASP H 1 29 LYS H . . 4.930 4.669 4.545 4.727 . 0 0 "[ . 1 . 2]" 1
269 1 28 ASP HA 1 29 LYS H . . 2.450 2.451 2.302 2.682 0.232 7 0 "[ . 1 . 2]" 1
270 1 28 ASP QB 1 29 LYS H . . 3.750 3.231 2.852 3.482 . 0 0 "[ . 1 . 2]" 1
271 1 28 ASP QB 1 30 PHE H . . 3.900 2.771 2.387 3.517 . 0 0 "[ . 1 . 2]" 1
272 1 29 LYS H 1 29 LYS QB . . 3.680 2.556 2.471 2.671 . 0 0 "[ . 1 . 2]" 1
273 1 29 LYS H 1 29 LYS QG . . 2.720 2.236 2.197 2.318 . 0 0 "[ . 1 . 2]" 1
274 1 29 LYS H 1 30 PHE H . . 3.820 2.763 2.683 2.873 . 0 0 "[ . 1 . 2]" 1
275 1 29 LYS HA 1 29 LYS QG . . 3.560 3.119 2.488 3.469 . 0 0 "[ . 1 . 2]" 1
276 1 29 LYS HA 1 30 PHE H . . 3.380 3.600 3.496 3.674 0.294 16 0 "[ . 1 . 2]" 1
277 1 29 LYS QB 1 30 PHE H . . 5.130 3.238 2.275 3.777 . 0 0 "[ . 1 . 2]" 1
278 1 29 LYS QD 1 29 LYS QE . . 2.180 2.096 2.004 2.156 . 0 0 "[ . 1 . 2]" 1
279 1 29 LYS QD 1 30 PHE H . . 4.040 3.908 3.502 4.310 0.270 9 0 "[ . 1 . 2]" 1
280 1 29 LYS QE 1 29 LYS QG . . 2.900 2.356 2.175 2.681 . 0 0 "[ . 1 . 2]" 1
281 1 29 LYS QG 1 30 PHE H . . 3.990 2.967 2.296 4.115 0.125 20 0 "[ . 1 . 2]" 1
282 1 29 LYS HG2 1 30 PHE H . . 4.810 4.333 3.778 5.036 0.226 4 0 "[ . 1 . 2]" 1
283 1 29 LYS HG3 1 30 PHE H . . 4.810 3.065 2.316 4.371 . 0 0 "[ . 1 . 2]" 1
284 1 30 PHE H 1 30 PHE HB2 . . 3.320 2.351 2.257 2.419 . 0 0 "[ . 1 . 2]" 1
285 1 30 PHE H 1 30 PHE QB . . 2.810 2.293 2.215 2.344 . 0 0 "[ . 1 . 2]" 1
286 1 30 PHE H 1 30 PHE HB3 . . 3.320 3.190 3.130 3.255 . 0 0 "[ . 1 . 2]" 1
287 1 30 PHE H 1 31 ASP H . . 3.210 2.672 2.442 2.832 . 0 0 "[ . 1 . 2]" 1
288 1 30 PHE HA 1 30 PHE HB2 . . 2.850 2.901 2.855 2.929 0.079 10 0 "[ . 1 . 2]" 1
289 1 30 PHE HA 1 30 PHE HB3 . . 2.850 2.941 2.901 2.972 0.122 4 0 "[ . 1 . 2]" 1
290 1 30 PHE HA 1 31 ASP H . . 3.040 3.146 3.080 3.249 0.209 12 0 "[ . 1 . 2]" 1
291 1 30 PHE QB 1 31 ASP H . . 4.090 3.875 3.731 3.935 . 0 0 "[ . 1 . 2]" 1
292 1 31 ASP H 1 31 ASP QB . . 3.640 2.734 2.245 3.297 . 0 0 "[ . 1 . 2]" 1
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