NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392506 |
1q2f   |
5911 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1q2f
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 276
_Distance_constraint_stats_list.Viol_count 2532
_Distance_constraint_stats_list.Viol_total 36851.285
_Distance_constraint_stats_list.Viol_max 2.374
_Distance_constraint_stats_list.Viol_rms 0.3342
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1484
_Distance_constraint_stats_list.Viol_average_violations_only 0.4851
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 PRO 0.775 0.162 4 0 "[ . 1 . 2 . 3]"
1 2 PRO 6.285 0.356 7 0 "[ . 1 . 2 . 3]"
1 3 LEU 4.481 0.478 25 0 "[ . 1 . 2 . 3]"
1 4 SER 2.916 0.668 7 2 "[ . + 1 . 2 .- 3]"
1 5 GLN 34.149 0.725 14 4 "[ . * 1 +. * 2 .- 3]"
1 6 GLU 41.029 1.240 27 30 [*************************-+***]
1 7 THR 143.062 2.374 26 30 [*************-***********+****]
1 8 PHE 259.170 2.374 26 30 [*************************+****]
1 9 SER 88.878 1.240 27 30 [******-*******************+***]
1 10 ASP 66.107 1.773 4 30 [***+**********************-***]
1 11 LEU 45.598 0.858 18 8 "[ *-* 1 . +*2* * . * 3]"
1 12 TRP 61.791 0.857 19 30 [*********-********+***********]
1 13 LYS 22.219 0.858 18 7 "[ *-* 1 . +*2* * . 3]"
1 14 LEU 18.565 0.521 19 3 "[ . 1 . *+2- . 3]"
1 15 LEU 36.695 1.278 23 29 "[**********************+** -***]"
1 16 LYS 82.149 1.200 16 30 [***************+*********-****]
1 17 LYS 112.754 1.606 29 30 [*************************-**+*]
1 18 TRP 250.947 1.606 29 30 [***********-****************+*]
1 19 LYS 78.448 1.459 15 30 [**************+**********-****]
1 20 MET 30.013 0.796 23 23 "[*********1* **.*******+ .-** 3]"
1 21 ARG 52.712 1.434 28 29 [*******-****************.**+**]
1 22 ARG 50.398 0.972 11 28 "[*******-**+*********** ** ****]"
1 23 ASN 51.059 1.153 25 29 "[*******-****************+** **]"
1 24 GLN 63.145 1.776 22 30 [*******-*************+********]
1 25 PHE 109.677 1.153 25 30 [************************+*****]
1 26 TRP 194.811 1.776 22 30 [*********************+-*******]
1 27 VAL 28.726 0.823 22 6 "[ . 1 .* 2 + *- **]"
1 28 LYS 56.461 1.370 30 30 [*********************-*******+]
1 29 VAL 66.540 1.018 4 30 [***+******************-*******]
1 30 GLN 47.452 1.370 30 30 [*********************-*******+]
1 31 ARG 46.830 1.018 4 30 [***+***********-**************]
1 32 GLY 0.001 0.001 24 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 1 PRO HB2 1 2 PRO HD2 . . 4.329 3.364 1.747 4.491 0.162 4 0 "[ . 1 . 2 . 3]" 1
2 1 2 PRO HA 1 3 LEU H . . 3.036 3.037 2.763 3.392 0.356 7 0 "[ . 1 . 2 . 3]" 1
3 1 2 PRO HG2 1 3 LEU H . . 4.090 3.436 2.959 3.694 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 2 PRO HG2 1 5 GLN H . . 4.233 4.165 3.302 4.550 0.317 13 0 "[ . 1 . 2 . 3]" 1
5 1 3 LEU H 1 3 LEU HB2 . . 3.256 2.748 2.055 3.734 0.478 25 0 "[ . 1 . 2 . 3]" 1
6 1 3 LEU H 1 4 SER H . . 3.306 2.621 2.183 3.418 0.112 12 0 "[ . 1 . 2 . 3]" 1
7 1 3 LEU HA 1 3 LEU MD1 . . 3.920 2.652 1.824 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 3 LEU HA 1 3 LEU MD2 . . 4.292 2.757 1.677 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 4 SER HA 1 5 GLN H . . 3.020 2.590 2.162 3.309 0.289 26 0 "[ . 1 . 2 . 3]" 1
10 1 4 SER QB 1 5 GLN H . . 3.761 3.140 1.842 4.026 0.265 17 0 "[ . 1 . 2 . 3]" 1
11 1 4 SER QB 1 8 PHE QE . . 4.355 3.521 2.323 5.023 0.668 7 2 "[ . + 1 . 2 .- 3]" 1
12 1 5 GLN H 1 5 GLN HA . . 3.026 2.520 2.290 2.983 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 5 GLN H 1 5 GLN QB . . 3.184 3.111 2.504 3.455 0.271 9 0 "[ . 1 . 2 . 3]" 1
14 1 5 GLN H 1 5 GLN QG . . 3.761 3.811 2.146 4.240 0.479 20 0 "[ . 1 . 2 . 3]" 1
15 1 5 GLN H 1 7 THR H . . 4.279 3.681 3.110 4.378 0.099 16 0 "[ . 1 . 2 . 3]" 1
16 1 5 GLN H 1 9 SER H . . 4.211 4.606 4.356 4.936 0.725 14 4 "[ . - 1 +. * 2 .* 3]" 1
17 1 5 GLN HA 1 5 GLN QG . . 3.544 2.457 1.953 3.407 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 5 GLN HA 1 8 PHE QB . . 2.824 3.063 2.835 3.215 0.391 27 0 "[ . 1 . 2 . 3]" 1
19 1 5 GLN QG 1 6 GLU H . . 4.072 3.515 1.777 4.589 0.517 26 1 "[ . 1 . 2 .+ 3]" 1
20 1 6 GLU H 1 6 GLU HG2 . . 4.004 3.669 2.039 4.638 0.634 4 4 "[ *+. 1* - 2 . 3]" 1
21 1 6 GLU HA 1 6 GLU HG2 . . 3.820 2.616 1.964 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 6 GLU HA 1 6 GLU HG3 . . 3.988 2.932 1.959 3.675 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 6 GLU HA 1 9 SER QB . . 3.491 4.542 4.369 4.731 1.240 27 30 [*************-************+***] 1
24 1 6 GLU QB 1 7 THR H . . 2.800 2.323 1.958 3.030 0.230 14 0 "[ . 1 . 2 . 3]" 1
25 1 7 THR H 1 7 THR HA . . 2.952 2.946 2.912 2.963 0.011 14 0 "[ . 1 . 2 . 3]" 1
26 1 7 THR H 1 7 THR MG . . 4.119 3.580 3.446 3.733 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 7 THR H 1 8 PHE H . . 2.858 3.165 3.041 3.239 0.381 20 0 "[ . 1 . 2 . 3]" 1
28 1 7 THR H 1 8 PHE QB . . 3.845 4.567 4.459 4.684 0.839 27 30 [*************-************+***] 1
29 1 7 THR H 1 8 PHE QE . . 4.304 2.887 2.647 3.266 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 7 THR HA 1 7 THR MG . . 3.221 2.089 1.889 2.159 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 7 THR HA 1 8 PHE H . . 3.193 3.518 3.492 3.542 0.349 26 0 "[ . 1 . 2 . 3]" 1
32 1 7 THR HA 1 8 PHE QB . . 2.985 5.251 5.182 5.359 2.374 26 30 [*************************+-***] 1
33 1 7 THR HA 1 8 PHE QE . . 4.382 5.345 5.217 5.508 1.126 14 30 [*************+***********-****] 1
34 1 7 THR HB 1 11 LEU H . . 3.739 3.907 3.812 4.474 0.735 27 1 "[ . 1 . 2 . + 3]" 1
35 1 7 THR MG 1 8 PHE H . . 4.292 3.274 2.781 3.388 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 7 THR MG 1 8 PHE QD . . 4.744 4.147 3.822 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 7 THR MG 1 10 ASP H . . 5.026 4.277 4.157 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 8 PHE H 1 8 PHE HA . . 2.860 2.441 2.415 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 8 PHE H 1 8 PHE QB . . 2.304 3.117 3.056 3.144 0.840 27 30 [****************-*********+***] 1
40 1 8 PHE H 1 8 PHE QD . . 4.004 1.771 1.662 1.832 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 8 PHE H 1 9 SER H . . 2.642 3.657 3.526 3.693 1.051 11 30 [**********+***************-***] 1
42 1 8 PHE HA 1 8 PHE QB . . 2.626 2.260 2.234 2.271 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 8 PHE HA 1 9 SER H . . 3.470 3.615 3.608 3.616 0.146 9 0 "[ . 1 . 2 . 3]" 1
44 1 8 PHE HA 1 11 LEU H . . 3.404 3.408 3.225 3.547 0.143 21 0 "[ . 1 . 2 . 3]" 1
45 1 8 PHE HA 1 11 LEU QD . . 4.200 3.265 2.946 4.053 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 8 PHE QB 1 9 SER H . . 2.806 2.052 2.020 2.330 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 8 PHE QB 1 9 SER QB . . 4.109 3.757 3.563 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 8 PHE QB 1 10 ASP H . . 3.005 4.739 4.304 4.778 1.773 4 30 [***+**********************-***] 1
49 1 8 PHE QD 1 9 SER H . . 4.189 3.216 3.017 3.296 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 8 PHE QD 1 11 LEU QB . . 4.534 3.755 3.594 4.246 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 8 PHE QD 1 11 LEU QD . . 4.189 3.951 3.818 4.544 0.355 27 0 "[ . 1 . 2 . 3]" 1
52 1 8 PHE QD 1 12 TRP H . . 4.681 4.707 4.660 4.784 0.103 27 0 "[ . 1 . 2 . 3]" 1
53 1 9 SER H 1 9 SER HA . . 2.770 2.688 2.675 2.868 0.098 27 0 "[ . 1 . 2 . 3]" 1
54 1 9 SER H 1 9 SER QB . . 2.996 2.204 2.123 2.225 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 9 SER HA 1 10 ASP H . . 3.271 3.583 2.657 3.616 0.345 4 0 "[ . 1 . 2 . 3]" 1
56 1 9 SER QB 1 10 ASP H . . 3.339 2.197 2.107 3.999 0.660 27 1 "[ . 1 . 2 . + 3]" 1
57 1 10 ASP H 1 10 ASP HB3 . . 3.667 3.217 2.540 3.639 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 10 ASP H 1 11 LEU H . . 2.830 2.061 1.964 2.248 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 10 ASP H 1 11 LEU QD . . 4.939 4.859 2.973 5.116 0.177 25 0 "[ . 1 . 2 . 3]" 1
60 1 10 ASP HA 1 11 LEU H . . 3.899 3.480 3.395 3.568 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 10 ASP HA 1 13 LYS H . . 4.020 3.662 3.445 4.194 0.174 27 0 "[ . 1 . 2 . 3]" 1
62 1 10 ASP HB3 1 11 LEU H . . 4.233 3.721 2.947 4.210 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 11 LEU H 1 11 LEU HA . . 2.976 2.863 2.828 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 11 LEU H 1 11 LEU QB . . 3.114 2.125 1.994 2.201 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 11 LEU H 1 11 LEU QD . . 4.485 3.442 1.958 3.710 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 11 LEU H 1 12 TRP H . . 2.957 2.948 2.835 3.114 0.157 21 0 "[ . 1 . 2 . 3]" 1
67 1 11 LEU H 1 14 LEU H . . 3.885 4.302 4.219 4.406 0.521 19 3 "[ . 1 . *+2- . 3]" 1
68 1 11 LEU HA 1 11 LEU QD . . 3.456 1.929 1.616 2.470 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 11 LEU HA 1 14 LEU H . . 3.620 3.310 3.071 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 11 LEU QB 1 12 TRP H . . 3.328 1.937 1.710 2.148 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 11 LEU QB 1 12 TRP HA . . 3.513 3.794 3.614 3.905 0.392 7 0 "[ . 1 . 2 . 3]" 1
72 1 11 LEU QB 1 13 LYS H . . 3.761 4.259 4.169 4.619 0.858 18 7 "[ *-* 1 . +*2* * . 3]" 1
73 1 12 TRP H 1 12 TRP HB2 . . 2.954 3.145 2.060 3.470 0.516 10 1 "[ . + . 2 . 3]" 1
74 1 12 TRP H 1 12 TRP HB3 . . 3.107 2.143 2.000 3.373 0.266 21 0 "[ . 1 . 2 . 3]" 1
75 1 12 TRP H 1 12 TRP HD1 . . 3.717 3.790 3.275 3.850 0.133 9 0 "[ . 1 . 2 . 3]" 1
76 1 12 TRP H 1 12 TRP HE3 . . 4.568 5.270 5.102 5.324 0.756 26 30 [*****************-*******+****] 1
77 1 12 TRP H 1 13 LYS H . . 3.045 2.848 2.790 3.178 0.133 18 0 "[ . 1 . 2 . 3]" 1
78 1 12 TRP HA 1 12 TRP HB2 . . 2.918 2.291 2.223 2.877 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 12 TRP HA 1 12 TRP HE3 . . 3.410 3.135 2.636 3.636 0.226 10 0 "[ . 1 . 2 . 3]" 1
80 1 12 TRP HA 1 15 LEU QB . . 3.927 2.931 2.415 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 12 TRP HB2 1 12 TRP HD1 . . 3.620 3.494 2.506 3.626 0.006 10 0 "[ . 1 . 2 . 3]" 1
82 1 12 TRP HB2 1 12 TRP HE3 . . 4.020 3.148 2.983 4.299 0.279 19 0 "[ . 1 . 2 . 3]" 1
83 1 12 TRP HB3 1 12 TRP HD1 . . 3.544 2.610 2.506 3.530 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 12 TRP HB3 1 12 TRP HE3 . . 3.832 4.182 3.141 4.298 0.466 4 0 "[ . 1 . 2 . 3]" 1
85 1 12 TRP HB3 1 13 LYS H . . 3.585 3.249 2.425 3.595 0.010 10 0 "[ . 1 . 2 . 3]" 1
86 1 12 TRP HD1 1 13 LYS H . . 4.470 3.746 3.535 5.327 0.857 19 3 "[ . 1 . -+2* . 3]" 1
87 1 12 TRP HE3 1 13 LYS H . . 4.722 4.602 3.756 4.713 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 12 TRP HE3 1 13 LYS HA . . 3.988 3.932 2.738 4.574 0.586 19 3 "[ . 1 . -+2* . 3]" 1
89 1 12 TRP HE3 1 15 LEU QD . . 4.744 4.682 4.148 4.857 0.113 29 0 "[ . 1 . 2 . 3]" 1
90 1 13 LYS H 1 13 LYS HA . . 3.148 2.868 2.755 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 13 LYS H 1 13 LYS HB2 . . 3.233 2.144 2.033 2.341 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 13 LYS H 1 13 LYS HB3 . . 3.276 2.987 2.690 3.368 0.092 5 0 "[ . 1 . 2 . 3]" 1
93 1 13 LYS H 1 13 LYS HG3 . . 4.233 4.114 3.301 4.460 0.227 8 0 "[ . 1 . 2 . 3]" 1
94 1 13 LYS H 1 14 LEU H . . 2.988 2.537 2.359 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 13 LYS HA 1 13 LYS HG3 . . 3.552 2.939 2.070 3.491 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 13 LYS HA 1 14 LEU H . . 3.858 3.547 3.529 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 13 LYS HA 1 15 LEU H . . 4.501 4.448 4.277 4.586 0.085 19 0 "[ . 1 . 2 . 3]" 1
98 1 13 LYS HB2 1 14 LEU H . . 3.796 3.567 3.137 3.790 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 13 LYS HB3 1 14 LEU H . . 3.832 2.966 2.579 3.391 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 14 LEU H 1 14 LEU HA . . 2.939 2.851 2.810 2.901 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 14 LEU H 1 14 LEU HB2 . . 3.045 2.071 2.013 2.181 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 14 LEU H 1 14 LEU MD2 . . 4.661 2.495 2.119 3.060 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 14 LEU H 1 15 LEU H . . 3.029 2.658 2.477 2.810 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 14 LEU H 1 16 LYS H . . 3.568 3.765 3.705 3.862 0.294 10 0 "[ . 1 . 2 . 3]" 1
105 1 14 LEU HA 1 14 LEU HB3 . . 3.029 2.765 2.650 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 14 LEU HA 1 14 LEU MD1 . . 3.871 2.564 1.727 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 14 LEU HA 1 14 LEU MD2 . . 3.528 1.695 1.622 2.237 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 14 LEU HA 1 14 LEU HG . . 3.470 3.461 3.439 3.506 0.036 26 0 "[ . 1 . 2 . 3]" 1
109 1 14 LEU HA 1 15 LEU H . . 3.761 3.591 3.564 3.605 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 14 LEU MD1 1 18 TRP HD1 . . 4.642 2.700 1.981 3.893 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 15 LEU H 1 15 LEU QB . . 3.528 2.133 1.998 2.615 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 15 LEU H 1 16 LYS H . . 2.899 2.604 2.531 2.713 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 15 LEU HA 1 15 LEU QD . . 3.419 2.123 1.769 2.806 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 15 LEU HA 1 18 TRP H . . 3.728 2.841 2.452 3.056 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 15 LEU HA 1 18 TRP HB2 . . 3.391 3.365 2.718 3.720 0.329 26 0 "[ . 1 . 2 . 3]" 1
116 1 15 LEU HA 1 18 TRP HB3 . . 3.449 2.714 2.544 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 15 LEU HA 1 18 TRP HE3 . . 4.090 5.078 4.196 5.368 1.278 23 29 "[**********************+** -***]" 1
118 1 15 LEU HA 1 19 LYS H . . 4.279 1.992 1.876 2.435 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 15 LEU QB 1 16 LYS HA . . 4.072 4.035 3.948 4.095 0.023 26 0 "[ . 1 . 2 . 3]" 1
120 1 15 LEU QD 1 18 TRP HE3 . . 4.100 4.043 3.036 4.507 0.407 4 0 "[ . 1 . 2 . 3]" 1
121 1 16 LYS H 1 17 LYS H . . 2.968 2.801 2.694 2.889 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 16 LYS H 1 18 TRP H . . 4.211 3.807 3.621 3.886 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 16 LYS HA 1 16 LYS HG2 . . 4.055 2.302 1.953 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 16 LYS HA 1 16 LYS HG3 . . 4.004 2.743 2.091 3.467 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 16 LYS HA 1 17 LYS QB . . 3.436 4.576 4.500 4.597 1.161 21 30 [********************+*****-***] 1
126 1 16 LYS HA 1 19 LYS H . . 3.913 4.936 4.706 5.113 1.200 16 30 [***************+*********-****] 1
127 1 16 LYS QB 1 17 LYS H . . 3.620 3.621 3.597 3.669 0.049 27 0 "[ . 1 . 2 . 3]" 1
128 1 16 LYS QB 1 18 TRP H . . 4.439 4.810 4.754 4.874 0.435 26 0 "[ . 1 . 2 . 3]" 1
129 1 17 LYS H 1 17 LYS QB . . 3.193 2.881 2.831 3.142 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 17 LYS H 1 17 LYS HG2 . . 4.534 4.487 4.236 4.549 0.015 5 0 "[ . 1 . 2 . 3]" 1
131 1 17 LYS H 1 18 TRP H . . 3.114 1.692 1.492 1.822 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 17 LYS H 1 18 TRP HE3 . . 5.026 6.467 6.385 6.632 1.606 29 30 [******-*********************+*] 1
133 1 17 LYS H 1 19 LYS H . . 4.233 2.776 2.569 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 17 LYS HA 1 17 LYS HG2 . . 3.611 3.087 2.890 4.245 0.634 23 3 "[ .* 1 .- 2 + . 3]" 1
135 1 17 LYS HA 1 18 TRP H . . 3.629 3.535 3.466 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 17 LYS HA 1 20 MET QB . . 3.629 3.827 2.675 4.425 0.796 23 9 "[ *** 1 . * ** + .-* 3]" 1
137 1 17 LYS QB 1 18 TRP H . . 3.456 3.122 2.917 3.658 0.202 23 0 "[ . 1 . 2 . 3]" 1
138 1 17 LYS QD 1 18 TRP HE3 . . 4.233 5.032 4.841 5.328 1.095 26 30 [**********************-**+****] 1
139 1 18 TRP H 1 18 TRP HA . . 3.125 2.911 2.876 2.957 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 18 TRP H 1 18 TRP HB2 . . 3.201 2.202 2.128 2.326 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 18 TRP H 1 18 TRP HB3 . . 3.110 2.891 2.741 3.009 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 18 TRP H 1 18 TRP HD1 . . 3.942 4.505 4.399 4.600 0.658 5 26 "[****+** ***-********* **.** **]" 1
143 1 18 TRP H 1 18 TRP HE3 . . 4.722 5.181 5.142 5.285 0.563 8 4 "[ . + 1 . 2 . * *-]" 1
144 1 18 TRP H 1 20 MET H . . 4.055 4.183 3.926 4.369 0.314 28 0 "[ . 1 . 2 . 3]" 1
145 1 18 TRP HA 1 18 TRP HB3 . . 3.048 2.970 2.931 3.005 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 18 TRP HA 1 18 TRP HD1 . . 3.210 3.754 2.683 4.008 0.798 23 26 "[******* *-****.*******+** ***]" 1
147 1 18 TRP HA 1 18 TRP HE3 . . 3.717 3.524 3.066 4.783 1.066 26 1 "[ . 1 . 2 .+ 3]" 1
148 1 18 TRP HA 1 19 LYS H . . 3.772 3.582 3.532 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 18 TRP HA 1 21 ARG H . . 3.750 3.626 3.096 3.905 0.155 25 0 "[ . 1 . 2 . 3]" 1
150 1 18 TRP HA 1 22 ARG QB . . 3.820 4.561 3.955 4.792 0.972 11 28 "[*******-**+*********** ** ****]" 1
151 1 18 TRP HB2 1 18 TRP HD1 . . 3.728 2.528 2.505 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 18 TRP HB2 1 18 TRP HE3 . . 3.871 4.279 3.999 4.299 0.428 21 0 "[ . 1 . 2 . 3]" 1
153 1 18 TRP HB2 1 19 LYS H . . 3.552 3.469 3.283 3.768 0.216 26 0 "[ . 1 . 2 . 3]" 1
154 1 18 TRP HB3 1 18 TRP HD1 . . 3.491 3.642 3.564 3.874 0.383 26 0 "[ . 1 . 2 . 3]" 1
155 1 18 TRP HB3 1 18 TRP HE3 . . 3.728 2.955 2.515 3.087 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 18 TRP HB3 1 19 LYS H . . 3.602 2.666 2.505 2.927 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 18 TRP HD1 1 19 LYS H . . 4.501 5.847 5.734 5.960 1.459 15 30 [**************+*******-*******] 1
158 1 18 TRP HE3 1 19 LYS H . . 4.279 4.201 3.982 4.598 0.319 26 0 "[ . 1 . 2 . 3]" 1
159 1 18 TRP HE3 1 19 LYS HA . . 3.972 3.499 3.224 4.079 0.107 26 0 "[ . 1 . 2 . 3]" 1
160 1 18 TRP HZ3 1 29 VAL QG . . 4.681 4.567 4.059 5.051 0.370 30 0 "[ . 1 . 2 . 3]" 1
161 1 19 LYS H 1 19 LYS HB3 . . 3.132 2.611 2.018 3.063 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 19 LYS H 1 20 MET H . . 3.117 2.952 2.568 3.116 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 19 LYS H 1 21 ARG H . . 4.470 4.504 4.315 4.773 0.303 12 0 "[ . 1 . 2 . 3]" 1
164 1 19 LYS HA 1 19 LYS QD . . 3.885 3.835 3.040 4.253 0.368 8 0 "[ . 1 . 2 . 3]" 1
165 1 19 LYS HA 1 19 LYS HG3 . . 4.004 2.905 2.165 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 19 LYS HA 1 20 MET H . . 3.913 3.590 3.523 3.612 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 19 LYS HA 1 22 ARG H . . 3.796 3.038 2.693 3.506 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 19 LYS HA 1 22 ARG QB . . 4.020 1.982 1.744 2.683 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 19 LYS HB3 1 20 MET H . . 3.385 2.752 2.304 3.569 0.184 16 0 "[ . 1 . 2 . 3]" 1
170 1 20 MET H 1 20 MET QB . . 3.276 2.328 2.018 2.714 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 20 MET H 1 20 MET HG3 . . 4.109 3.646 1.845 4.674 0.565 9 14 "[** .***+1* **.* **2 - . * 3]" 1
172 1 20 MET H 1 21 ARG H . . 2.860 3.022 2.742 3.170 0.310 27 0 "[ . 1 . 2 . 3]" 1
173 1 20 MET HA 1 20 MET QB . . 2.727 2.208 2.176 2.338 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 20 MET HA 1 20 MET HG2 . . 4.148 3.323 2.512 4.096 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 20 MET HA 1 20 MET HG3 . . 3.677 3.373 3.095 3.485 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 20 MET HA 1 21 ARG H . . 3.638 3.590 3.567 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 20 MET HA 1 23 ASN QB . . 3.728 3.734 3.495 3.823 0.095 16 0 "[ . 1 . 2 . 3]" 1
178 1 20 MET QB 1 21 ARG H . . 3.845 2.923 2.295 3.341 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 20 MET ME 1 21 ARG H . . 4.939 1.840 1.721 2.333 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 20 MET ME 1 21 ARG HA . . 4.279 3.263 1.805 3.811 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 20 MET ME 1 22 ARG H . . 3.865 3.366 2.942 3.979 0.114 20 0 "[ . 1 . 2 . 3]" 1
182 1 21 ARG H 1 21 ARG HA . . 3.042 2.944 2.817 2.973 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 21 ARG H 1 21 ARG QB . . 3.224 2.289 2.148 2.758 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 21 ARG H 1 21 ARG HG3 . . 3.648 3.319 1.951 4.593 0.945 22 5 "[ . 1 . 2 +**. -*]" 1
185 1 21 ARG HA 1 21 ARG QD . . 3.620 3.616 1.674 4.213 0.593 20 1 "[ . 1 . + . 3]" 1
186 1 21 ARG HA 1 24 GLN QB . . 3.648 3.405 2.827 4.292 0.644 23 6 "[ .**- 1 . *2 + . * 3]" 1
187 1 21 ARG QB 1 22 ARG H . . 3.477 2.688 2.511 3.337 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 21 ARG QB 1 26 TRP HD1 . . 3.429 4.238 2.081 4.863 1.434 28 25 "[*********-*********** * .**+ 3]" 1
189 1 21 ARG HE 1 21 ARG HG2 . . 4.211 2.970 2.085 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 22 ARG H 1 22 ARG HE . . 4.642 4.118 3.345 5.103 0.461 26 0 "[ . 1 . 2 . 3]" 1
191 1 22 ARG H 1 22 ARG QG . . 4.168 3.882 2.989 4.020 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 22 ARG HA 1 22 ARG QG . . 3.808 2.523 2.013 3.326 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 22 ARG HA 1 23 ASN QB . . 4.304 4.746 4.615 4.818 0.514 8 1 "[ . + 1 . 2 . 3]" 1
194 1 22 ARG QB 1 23 ASN H . . 3.463 3.718 3.590 3.913 0.450 26 0 "[ . 1 . 2 . 3]" 1
195 1 22 ARG HE 1 23 ASN H . . 4.568 4.352 3.780 4.821 0.253 12 0 "[ . 1 . 2 . 3]" 1
196 1 22 ARG QG 1 26 TRP HD1 . . 4.211 4.227 2.789 4.697 0.486 24 0 "[ . 1 . 2 . 3]" 1
197 1 23 ASN H 1 23 ASN QB . . 3.261 2.682 2.612 2.825 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 23 ASN H 1 24 GLN H . . 2.371 1.861 1.818 1.979 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 23 ASN H 1 25 PHE H . . 3.585 4.452 2.805 4.738 1.153 25 29 "[***********-************+** **]" 1
200 1 23 ASN QB 1 24 GLN H . . 3.667 3.641 3.602 3.749 0.082 28 0 "[ . 1 . 2 . 3]" 1
201 1 24 GLN H 1 24 GLN HA . . 2.812 2.885 2.840 2.962 0.150 29 0 "[ . 1 . 2 . 3]" 1
202 1 24 GLN H 1 24 GLN QB . . 3.228 2.985 2.649 3.441 0.213 6 0 "[ . 1 . 2 . 3]" 1
203 1 24 GLN H 1 24 GLN HG2 . . 3.739 3.784 2.353 4.091 0.352 18 0 "[ . 1 . 2 . 3]" 1
204 1 24 GLN H 1 24 GLN HG3 . . 4.020 3.544 2.292 4.078 0.058 28 0 "[ . 1 . 2 . 3]" 1
205 1 24 GLN H 1 26 TRP HE3 . . 4.812 6.149 5.954 6.588 1.776 22 30 [*********************+-*******] 1
206 1 24 GLN HA 1 24 GLN HG2 . . 4.355 2.530 2.080 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 24 GLN HA 1 24 GLN HG3 . . 3.687 3.337 3.203 3.724 0.037 29 0 "[ . 1 . 2 . 3]" 1
208 1 24 GLN HA 1 25 PHE H . . 3.201 3.483 3.435 3.588 0.387 28 0 "[ . 1 . 2 . 3]" 1
209 1 24 GLN HA 1 27 VAL QG . . 3.942 2.321 2.001 3.089 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 24 GLN QB 1 25 PHE H . . 3.845 1.887 1.790 3.271 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 25 PHE H 1 25 PHE HD1 . . 4.090 4.352 3.569 4.533 0.443 9 0 "[ . 1 . 2 . 3]" 1
212 1 25 PHE H 1 26 TRP HD1 . . 4.004 4.545 4.134 4.744 0.740 29 27 "[*******-*1*************** * +*]" 1
213 1 25 PHE HA 1 25 PHE HB3 . . 2.700 3.005 2.919 3.031 0.331 28 0 "[ . 1 . 2 . 3]" 1
214 1 25 PHE HA 1 25 PHE HD1 . . 3.356 3.797 3.678 3.878 0.522 11 5 "[ . 1+ * . 2 * *- 3]" 1
215 1 25 PHE HA 1 26 TRP H . . 3.717 3.546 3.338 3.614 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 25 PHE HA 1 28 LYS H . . 3.784 3.605 3.458 3.988 0.204 25 0 "[ . 1 . 2 . 3]" 1
217 1 25 PHE HA 1 28 LYS QB . . 3.379 3.541 3.259 3.638 0.259 13 0 "[ . 1 . 2 . 3]" 1
218 1 25 PHE HA 1 29 VAL H . . 4.501 5.103 4.834 5.322 0.821 15 25 "[**************+****** * .**- 3]" 1
219 1 25 PHE HB3 1 25 PHE HD1 . . 2.889 2.725 2.684 2.824 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 25 PHE HB3 1 26 TRP H . . 3.103 2.853 2.360 3.703 0.600 25 3 "[ . 1 . 2 * -+ 3]" 1
221 1 25 PHE HD1 1 26 TRP H . . 4.055 2.667 2.414 3.513 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 25 PHE HD1 1 26 TRP HA . . 3.988 2.320 2.178 2.761 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 25 PHE HD1 1 29 VAL QG . . 4.702 2.747 2.442 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 25 PHE HE1 1 29 VAL QG . . 4.081 2.123 1.931 3.183 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 25 PHE HZ 1 29 VAL QG . . 5.269 3.631 3.127 4.261 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 26 TRP H 1 26 TRP HA . . 3.089 2.787 2.727 2.927 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 26 TRP H 1 26 TRP QB . . 3.140 2.140 2.019 2.200 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 26 TRP H 1 26 TRP HD1 . . 3.404 3.033 2.860 3.496 0.092 22 0 "[ . 1 . 2 . 3]" 1
229 1 26 TRP H 1 26 TRP HE3 . . 4.912 5.392 5.136 5.639 0.727 30 5 "[ . 1 . 2 * *- *+]" 1
230 1 26 TRP H 1 27 VAL H . . 3.005 2.868 2.708 2.958 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 26 TRP H 1 28 LYS H . . 4.279 4.358 3.783 4.542 0.263 23 0 "[ . 1 . 2 . 3]" 1
232 1 26 TRP H 1 29 VAL H . . 4.861 4.848 4.571 4.928 0.067 23 0 "[ . 1 . 2 . 3]" 1
233 1 26 TRP HA 1 26 TRP HD1 . . 3.367 4.507 3.559 4.756 1.389 28 25 "[********************* * .-*+ 3]" 1
234 1 26 TRP HA 1 26 TRP HE3 . . 2.933 3.855 3.491 3.938 1.005 26 30 [************************-+****] 1
235 1 26 TRP HA 1 29 VAL H . . 3.858 2.937 2.760 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 26 TRP HA 1 29 VAL QG . . 3.672 1.863 1.667 2.307 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 26 TRP QB 1 26 TRP HD1 . . 3.219 2.524 2.471 2.604 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 26 TRP QB 1 26 TRP HE3 . . 3.638 2.753 2.617 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 26 TRP QB 1 27 VAL H . . 3.687 3.165 2.113 3.381 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 26 TRP HD1 1 27 VAL QG . . 4.702 3.690 3.270 5.514 0.812 29 5 "[ . 1 . 2 * *- +*]" 1
241 1 26 TRP HE3 1 27 VAL H . . 4.722 4.114 3.475 4.794 0.072 30 0 "[ . 1 . 2 . 3]" 1
242 1 26 TRP HE3 1 27 VAL HA . . 4.329 3.443 2.520 4.840 0.511 25 1 "[ . 1 . 2 + 3]" 1
243 1 26 TRP HE3 1 27 VAL QG . . 4.425 4.224 3.712 5.056 0.631 25 5 "[ . 1 . 2 * *+ -*]" 1
244 1 26 TRP HE3 1 29 VAL HB . . 3.885 3.326 3.028 4.740 0.855 15 1 "[ . 1 + 2 . 3]" 1
245 1 26 TRP HE3 1 29 VAL QG . . 4.355 3.310 1.948 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 26 TRP HZ3 1 29 VAL QG . . 4.623 4.554 2.829 5.208 0.585 28 2 "[ . 1 . 2 - . + 3]" 1
247 1 27 VAL H 1 27 VAL HA . . 3.045 2.708 2.617 2.736 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 27 VAL H 1 27 VAL QG . . 3.195 1.761 1.731 1.906 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 27 VAL H 1 28 LYS H . . 2.913 3.000 2.959 3.134 0.221 25 0 "[ . 1 . 2 . 3]" 1
250 1 27 VAL H 1 29 VAL H . . 4.128 4.213 4.136 4.394 0.266 24 0 "[ . 1 . 2 . 3]" 1
251 1 27 VAL HA 1 27 VAL QG . . 3.230 2.338 2.231 2.403 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 27 VAL HA 1 30 GLN HB3 . . 4.072 3.752 3.362 4.895 0.823 22 1 "[ . 1 . 2 + . 3]" 1
253 1 27 VAL HA 1 31 ARG H . . 4.722 5.178 5.125 5.259 0.537 16 1 "[ . 1 .+ 2 . 3]" 1
254 1 27 VAL QG 1 28 LYS H . . 4.148 1.708 1.680 1.767 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 28 LYS H 1 28 LYS HG2 . . 4.233 3.100 2.349 4.107 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 28 LYS H 1 28 LYS HG3 . . 4.470 3.242 2.366 3.974 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 28 LYS HA 1 28 LYS HG3 . . 4.090 3.157 2.105 3.701 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 28 LYS HA 1 29 VAL H . . 3.611 3.568 3.556 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 28 LYS HA 1 30 GLN QG . . 3.521 3.614 3.507 4.200 0.679 22 1 "[ . 1 . 2 + . 3]" 1
260 1 28 LYS HA 1 31 ARG H . . 3.168 2.695 2.612 2.988 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 28 LYS QB 1 29 VAL H . . 3.379 2.694 2.590 2.741 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 28 LYS QB 1 30 GLN H . . 2.849 4.202 4.144 4.219 1.370 30 30 [*********************-*******+] 1
263 1 29 VAL H 1 29 VAL HA . . 2.999 2.760 2.736 2.791 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 29 VAL H 1 29 VAL HB . . 3.107 2.630 2.205 3.575 0.468 24 0 "[ . 1 . 2 . 3]" 1
265 1 29 VAL H 1 29 VAL QG . . 3.261 1.945 1.605 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 29 VAL HA 1 29 VAL QG . . 3.131 2.137 2.078 2.403 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 29 VAL HA 1 30 GLN H . . 3.416 3.444 3.404 3.470 0.054 30 0 "[ . 1 . 2 . 3]" 1
268 1 29 VAL HA 1 31 ARG QB . . 3.602 4.558 4.453 4.620 1.018 4 30 [***+*******-******************] 1
269 1 29 VAL QG 1 30 GLN H . . 4.410 3.263 2.233 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 29 VAL QG 1 30 GLN HA . . 4.744 3.611 3.116 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 30 GLN H 1 30 GLN HA . . 3.099 2.960 2.945 2.974 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 30 GLN H 1 30 GLN HB2 . . 3.602 3.600 2.804 3.698 0.096 4 0 "[ . 1 . 2 . 3]" 1
273 1 30 GLN H 1 31 ARG H . . 3.032 2.180 2.001 2.364 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 30 GLN HA 1 31 ARG H . . 3.521 3.572 3.493 3.605 0.084 22 0 "[ . 1 . 2 . 3]" 1
275 1 31 ARG HA 1 31 ARG QD . . 3.638 3.374 1.830 3.970 0.332 27 0 "[ . 1 . 2 . 3]" 1
276 1 32 GLY H 1 32 GLY HA2 . . 2.985 2.810 2.296 2.986 0.001 24 0 "[ . 1 . 2 . 3]" 1
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