NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
398062 |
1t5q   |
6245 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1t5q
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 348
_Distance_constraint_stats_list.Viol_count 1403
_Distance_constraint_stats_list.Viol_total 8058.543
_Distance_constraint_stats_list.Viol_max 2.655
_Distance_constraint_stats_list.Viol_rms 0.2106
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0579
_Distance_constraint_stats_list.Viol_average_violations_only 0.2872
_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 TYR 0.505 0.505 3 1 "[ + . 1 . 2]"
1 2 ALA 0.987 0.505 3 1 "[ + . 1 . 2]"
1 3 GLU 13.159 0.567 13 8 "[ .* ** *+ . -* *]"
1 4 GLY 44.071 1.974 16 18 "[*** *** **-****+****]"
1 5 THR 15.157 0.771 13 5 "[ **.- * 1 + . 2]"
1 6 PHE 11.847 0.771 13 6 "[ ***- * 1 + . 2]"
1 7 ILE 48.408 1.974 16 19 "[******* **-****+****]"
1 8 SER 9.630 0.513 12 1 "[ . 1 + . 2]"
1 9 ASP 23.959 0.886 13 13 "[***-**** 1 *+** *2]"
1 10 TYR 13.411 0.886 13 13 "[****-*** 1 *+** *2]"
1 11 SER 2.096 0.465 20 0 "[ . 1 . 2]"
1 12 ILE 6.839 0.320 12 0 "[ . 1 . 2]"
1 13 ALA 10.224 0.893 3 8 "[**+** 1 ** .- 2]"
1 14 MET 8.423 1.237 6 3 "[- .+ 1 * . 2]"
1 15 ASP 28.279 0.843 1 16 "[+** ** *-*****.*** *]"
1 16 LYS 32.101 1.237 6 11 "[*****+*- 1 ** .* 2]"
1 17 ILE 6.715 0.415 7 0 "[ . 1 . 2]"
1 18 HIS 74.873 2.655 9 20 [********+***********]
1 19 GLN 5.264 1.015 7 1 "[ . + 1 . 2]"
1 20 GLN 83.541 2.655 9 20 [********+******-****]
1 21 ASP 15.246 0.896 9 7 "[ * **+*- . * 2]"
1 22 PHE 22.783 0.905 7 7 "[ - +**** . * 2]"
1 23 VAL 42.179 0.768 6 20 [*****+*********-****]
1 24 ASN 1.578 0.194 12 0 "[ . 1 . 2]"
1 25 TRP 34.254 1.330 19 20 [**-***************+*]
1 26 LEU 94.045 1.533 6 20 [***-*+**************]
1 27 LEU 13.375 0.336 8 0 "[ . 1 . 2]"
1 28 ALA 3.637 0.426 8 0 "[ . 1 . 2]"
1 29 GLN 64.526 1.533 6 20 [**-**+**************]
1 30 LYS 6.640 0.671 13 2 "[ . 1 + - 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 TYR HA 1 2 ALA H . . 2.800 2.483 2.343 3.305 0.505 3 1 "[ + . 1 . 2]" 1
2 1 1 TYR HB2 1 2 ALA H . . 5.000 3.947 2.466 4.763 . 0 0 "[ . 1 . 2]" 1
3 1 1 TYR HB3 1 2 ALA H . . 5.000 3.527 2.534 4.828 . 0 0 "[ . 1 . 2]" 1
4 1 2 ALA HA 1 3 GLU H . . 2.800 2.537 2.368 2.655 . 0 0 "[ . 1 . 2]" 1
5 1 2 ALA HA 1 4 GLY H . . 5.000 4.661 4.076 4.929 . 0 0 "[ . 1 . 2]" 1
6 1 2 ALA MB 1 3 GLU H . . 6.000 3.027 2.292 3.841 . 0 0 "[ . 1 . 2]" 1
7 1 2 ALA MB 1 4 GLY H . . 6.000 3.538 2.904 3.943 . 0 0 "[ . 1 . 2]" 1
8 1 2 ALA MB 1 5 THR H . . 6.000 4.754 2.849 6.289 0.289 14 0 "[ . 1 . 2]" 1
9 1 3 GLU H 1 3 GLU HA . . 2.800 2.954 2.885 3.010 0.210 8 0 "[ . 1 . 2]" 1
10 1 3 GLU H 1 3 GLU QB . . 2.800 2.509 2.291 3.239 0.439 18 0 "[ . 1 . 2]" 1
11 1 3 GLU HA 1 3 GLU QB . . 2.800 2.366 2.159 2.462 . 0 0 "[ . 1 . 2]" 1
12 1 3 GLU HA 1 4 GLY H . . 2.800 2.503 2.382 2.705 . 0 0 "[ . 1 . 2]" 1
13 1 3 GLU HA 1 5 THR H . . 5.000 4.732 4.315 5.191 0.191 13 0 "[ . 1 . 2]" 1
14 1 3 GLU HA 1 6 PHE H . . 5.000 3.702 3.015 4.464 . 0 0 "[ . 1 . 2]" 1
15 1 3 GLU HA 1 6 PHE QB . . 5.600 2.630 2.353 3.195 . 0 0 "[ . 1 . 2]" 1
16 1 3 GLU QB 1 4 GLY H . . 3.600 4.052 3.928 4.167 0.567 13 8 "[ .* ** *+ . -* *]" 1
17 1 3 GLU QG 1 4 GLY H . . 5.600 4.447 3.787 4.963 . 0 0 "[ . 1 . 2]" 1
18 1 4 GLY H 1 4 GLY QA . . 2.800 2.359 2.232 2.542 . 0 0 "[ . 1 . 2]" 1
19 1 4 GLY H 1 5 THR H . . 3.600 2.835 2.441 3.150 . 0 0 "[ . 1 . 2]" 1
20 1 4 GLY H 1 6 PHE H . . 5.000 3.104 2.377 3.749 . 0 0 "[ . 1 . 2]" 1
21 1 4 GLY QA 1 5 THR H . . 3.600 2.507 2.393 2.595 . 0 0 "[ . 1 . 2]" 1
22 1 4 GLY QA 1 7 ILE H . . 5.000 5.130 4.429 5.545 0.545 16 2 "[ . 1- .+ 2]" 1
23 1 4 GLY QA 1 7 ILE HB . . 5.000 6.190 5.031 6.974 1.974 16 17 "[*** *-* **** **+****]" 1
24 1 4 GLY QA 1 7 ILE MG . . 6.000 5.747 4.239 7.399 1.399 9 6 "[ * - * +1 . * *2]" 1
25 1 5 THR H 1 5 THR HA . . 2.800 3.000 2.902 3.024 0.224 11 0 "[ . 1 . 2]" 1
26 1 5 THR H 1 6 PHE H . . 3.600 2.835 2.588 3.153 . 0 0 "[ . 1 . 2]" 1
27 1 5 THR H 1 7 ILE H . . 5.000 5.057 4.695 5.483 0.483 20 0 "[ . 1 . 2]" 1
28 1 5 THR HA 1 6 PHE H . . 2.800 3.074 2.748 3.571 0.771 13 5 "[ **.- * 1 + . 2]" 1
29 1 5 THR HA 1 6 PHE QB . . 5.600 4.949 4.710 5.286 . 0 0 "[ . 1 . 2]" 1
30 1 5 THR HA 1 7 ILE H . . 5.000 3.819 3.109 4.147 . 0 0 "[ . 1 . 2]" 1
31 1 5 THR HA 1 8 SER H . . 5.000 3.355 2.962 3.747 . 0 0 "[ . 1 . 2]" 1
32 1 5 THR HA 1 8 SER QB . . 5.000 3.900 2.758 4.614 . 0 0 "[ . 1 . 2]" 1
33 1 5 THR HA 1 9 ASP H . . 5.000 5.086 4.643 5.405 0.405 12 0 "[ . 1 . 2]" 1
34 1 5 THR MG 1 6 PHE H . . 6.000 4.243 3.153 4.521 . 0 0 "[ . 1 . 2]" 1
35 1 6 PHE H 1 6 PHE HA . . 2.800 2.907 2.697 2.977 0.177 5 0 "[ . 1 . 2]" 1
36 1 6 PHE H 1 6 PHE QB . . 3.400 2.330 2.273 2.395 . 0 0 "[ . 1 . 2]" 1
37 1 6 PHE H 1 7 ILE H . . 3.600 2.532 2.340 3.197 . 0 0 "[ . 1 . 2]" 1
38 1 6 PHE HA 1 7 ILE H . . 5.000 3.649 3.540 3.681 . 0 0 "[ . 1 . 2]" 1
39 1 6 PHE HA 1 8 SER H . . 5.000 4.133 3.972 4.325 . 0 0 "[ . 1 . 2]" 1
40 1 6 PHE HA 1 9 ASP H . . 5.000 3.199 2.875 3.478 . 0 0 "[ . 1 . 2]" 1
41 1 6 PHE HA 1 9 ASP QB . . 3.600 3.493 2.391 4.204 0.604 5 2 "[ -+ 1 . 2]" 1
42 1 6 PHE HA 1 10 TYR H . . 5.000 4.124 3.334 4.570 . 0 0 "[ . 1 . 2]" 1
43 1 6 PHE QB 1 7 ILE H . . 4.200 2.744 2.486 3.439 . 0 0 "[ . 1 . 2]" 1
44 1 6 PHE QB 1 8 SER H . . 5.600 4.823 4.675 5.182 . 0 0 "[ . 1 . 2]" 1
45 1 6 PHE QB 1 9 ASP H . . 5.600 4.916 4.565 5.117 . 0 0 "[ . 1 . 2]" 1
46 1 7 ILE H 1 7 ILE HA . . 2.800 2.768 2.692 2.904 0.104 17 0 "[ . 1 . 2]" 1
47 1 7 ILE H 1 7 ILE HB . . 2.800 2.473 2.296 2.636 . 0 0 "[ . 1 . 2]" 1
48 1 7 ILE H 1 7 ILE QG . . 3.600 3.449 2.284 4.207 0.607 13 7 "[- **. 1 +** * 2]" 1
49 1 7 ILE H 1 8 SER H . . 2.800 2.948 2.614 3.131 0.331 20 0 "[ . 1 . 2]" 1
50 1 7 ILE H 1 9 ASP H . . 5.000 4.605 4.132 4.868 . 0 0 "[ . 1 . 2]" 1
51 1 7 ILE HA 1 8 SER H . . 3.600 3.659 3.628 3.684 0.084 9 0 "[ . 1 . 2]" 1
52 1 7 ILE HA 1 10 TYR H . . 5.000 3.285 3.054 3.552 . 0 0 "[ . 1 . 2]" 1
53 1 7 ILE HA 1 10 TYR HB2 . . 3.600 3.352 3.060 3.806 0.206 17 0 "[ . 1 . 2]" 1
54 1 7 ILE HA 1 10 TYR HB3 . . 5.000 2.539 2.409 2.642 . 0 0 "[ . 1 . 2]" 1
55 1 7 ILE HA 1 11 SER H . . 5.000 3.880 3.527 3.999 . 0 0 "[ . 1 . 2]" 1
56 1 7 ILE HB 1 8 SER H . . 5.000 3.584 2.653 4.159 . 0 0 "[ . 1 . 2]" 1
57 1 7 ILE MG 1 8 SER H . . 6.000 2.751 2.241 3.546 . 0 0 "[ . 1 . 2]" 1
58 1 7 ILE MG 1 8 SER HA . . 6.000 3.288 3.141 3.418 . 0 0 "[ . 1 . 2]" 1
59 1 7 ILE O 1 11 SER H . . 2.000 1.851 1.770 1.972 . 0 0 "[ . 1 . 2]" 1
60 1 7 ILE O 1 11 SER N . . 3.000 2.822 2.733 2.960 . 0 0 "[ . 1 . 2]" 1
61 1 8 SER H 1 8 SER HA . . 2.800 2.837 2.792 2.881 0.081 18 0 "[ . 1 . 2]" 1
62 1 8 SER H 1 8 SER QB . . 2.800 2.484 2.313 2.633 . 0 0 "[ . 1 . 2]" 1
63 1 8 SER H 1 9 ASP H . . 2.800 2.880 2.705 3.025 0.225 5 0 "[ . 1 . 2]" 1
64 1 8 SER HA 1 9 ASP H . . 3.600 3.704 3.683 3.718 0.118 14 0 "[ . 1 . 2]" 1
65 1 8 SER HA 1 11 SER H . . 5.000 3.426 3.281 3.694 . 0 0 "[ . 1 . 2]" 1
66 1 8 SER QB 1 9 ASP H . . 2.800 2.536 2.423 3.313 0.513 12 1 "[ . 1 + . 2]" 1
67 1 8 SER O 1 12 ILE H . . 2.000 1.883 1.795 1.982 . 0 0 "[ . 1 . 2]" 1
68 1 8 SER O 1 12 ILE N . . 3.000 2.855 2.760 2.958 . 0 0 "[ . 1 . 2]" 1
69 1 9 ASP H 1 9 ASP HA . . 2.800 2.833 2.815 2.857 0.057 5 0 "[ . 1 . 2]" 1
70 1 9 ASP H 1 9 ASP QB . . 2.800 2.585 2.486 2.652 . 0 0 "[ . 1 . 2]" 1
71 1 9 ASP H 1 10 TYR H . . 2.800 2.804 2.761 2.850 0.050 18 0 "[ . 1 . 2]" 1
72 1 9 ASP H 1 11 SER H . . 5.000 4.402 4.297 4.643 . 0 0 "[ . 1 . 2]" 1
73 1 9 ASP HA 1 9 ASP QB . . 2.800 2.257 2.170 2.409 . 0 0 "[ . 1 . 2]" 1
74 1 9 ASP HA 1 10 TYR H . . 3.600 3.647 3.626 3.668 0.068 11 0 "[ . 1 . 2]" 1
75 1 9 ASP HA 1 11 SER H . . 5.000 4.566 4.417 4.815 . 0 0 "[ . 1 . 2]" 1
76 1 9 ASP HA 1 12 ILE H . . 5.000 3.384 3.154 3.595 . 0 0 "[ . 1 . 2]" 1
77 1 9 ASP HA 1 12 ILE HB . . 2.800 2.667 2.551 2.854 0.054 17 0 "[ . 1 . 2]" 1
78 1 9 ASP HA 1 12 ILE MD . . 6.000 3.622 2.575 5.196 . 0 0 "[ . 1 . 2]" 1
79 1 9 ASP HA 1 12 ILE MG . . 6.000 4.115 4.015 4.265 . 0 0 "[ . 1 . 2]" 1
80 1 9 ASP HA 1 13 ALA H . . 5.000 3.730 3.557 3.916 . 0 0 "[ . 1 . 2]" 1
81 1 9 ASP QB 1 10 TYR H . . 2.800 3.300 2.580 3.686 0.886 13 13 "[****-*** 1 *+** *2]" 1
82 1 9 ASP O 1 13 ALA H . . 2.000 1.811 1.779 1.857 . 0 0 "[ . 1 . 2]" 1
83 1 9 ASP O 1 13 ALA N . . 3.000 2.788 2.734 2.837 . 0 0 "[ . 1 . 2]" 1
84 1 10 TYR H 1 10 TYR HA . . 2.800 2.850 2.833 2.863 0.063 13 0 "[ . 1 . 2]" 1
85 1 10 TYR H 1 10 TYR HB2 . . 2.800 2.634 2.458 2.819 0.019 8 0 "[ . 1 . 2]" 1
86 1 10 TYR H 1 10 TYR HB3 . . 2.800 2.564 2.447 2.685 . 0 0 "[ . 1 . 2]" 1
87 1 10 TYR H 1 11 SER H . . 3.600 2.784 2.731 2.877 . 0 0 "[ . 1 . 2]" 1
88 1 10 TYR HA 1 10 TYR HB2 . . 2.800 2.492 2.431 2.562 . 0 0 "[ . 1 . 2]" 1
89 1 10 TYR HA 1 11 SER H . . 5.000 3.672 3.658 3.692 . 0 0 "[ . 1 . 2]" 1
90 1 10 TYR HA 1 13 ALA H . . 5.000 3.525 3.284 3.754 . 0 0 "[ . 1 . 2]" 1
91 1 10 TYR HA 1 13 ALA MB . . 6.000 2.651 2.518 2.838 . 0 0 "[ . 1 . 2]" 1
92 1 10 TYR HA 1 14 MET H . . 5.000 3.869 3.669 4.052 . 0 0 "[ . 1 . 2]" 1
93 1 10 TYR HB2 1 11 SER H . . 5.000 3.947 3.845 4.032 . 0 0 "[ . 1 . 2]" 1
94 1 10 TYR HB3 1 11 SER H . . 5.000 2.592 2.548 2.638 . 0 0 "[ . 1 . 2]" 1
95 1 11 SER H 1 11 SER HA . . 2.800 2.848 2.814 2.877 0.077 18 0 "[ . 1 . 2]" 1
96 1 11 SER H 1 11 SER HB2 . . 3.600 2.576 2.527 2.614 . 0 0 "[ . 1 . 2]" 1
97 1 11 SER H 1 11 SER HB3 . . 3.600 3.022 2.586 3.683 0.083 10 0 "[ . 1 . 2]" 1
98 1 11 SER H 1 12 ILE H . . 5.000 2.752 2.658 2.845 . 0 0 "[ . 1 . 2]" 1
99 1 11 SER H 1 13 ALA H . . 5.000 4.269 4.118 4.395 . 0 0 "[ . 1 . 2]" 1
100 1 11 SER HA 1 12 ILE H . . 5.000 3.652 3.637 3.665 . 0 0 "[ . 1 . 2]" 1
101 1 11 SER HA 1 14 MET QB . . 3.600 2.656 2.489 2.916 . 0 0 "[ . 1 . 2]" 1
102 1 11 SER HA 1 14 MET ME . . 6.000 4.735 2.743 6.465 0.465 20 0 "[ . 1 . 2]" 1
103 1 11 SER HA 1 15 ASP H . . 5.000 3.907 3.747 4.053 . 0 0 "[ . 1 . 2]" 1
104 1 11 SER HB2 1 12 ILE H . . 5.000 3.476 2.619 4.042 . 0 0 "[ . 1 . 2]" 1
105 1 11 SER HB3 1 12 ILE H . . 5.000 3.135 2.634 3.876 . 0 0 "[ . 1 . 2]" 1
106 1 12 ILE H 1 12 ILE HB . . 2.800 2.475 2.433 2.518 . 0 0 "[ . 1 . 2]" 1
107 1 12 ILE H 1 12 ILE HG12 . . 5.000 3.218 2.382 3.793 . 0 0 "[ . 1 . 2]" 1
108 1 12 ILE H 1 12 ILE HG13 . . 3.600 2.938 2.390 3.757 0.157 12 0 "[ . 1 . 2]" 1
109 1 12 ILE H 1 13 ALA H . . 2.800 2.699 2.662 2.752 . 0 0 "[ . 1 . 2]" 1
110 1 12 ILE H 1 14 MET H . . 5.000 4.152 3.993 4.311 . 0 0 "[ . 1 . 2]" 1
111 1 12 ILE HA 1 12 ILE HG12 . . 2.800 2.800 2.548 3.120 0.320 12 0 "[ . 1 . 2]" 1
112 1 12 ILE HA 1 12 ILE HG13 . . 3.600 3.230 2.782 3.848 0.248 1 0 "[ . 1 . 2]" 1
113 1 12 ILE HA 1 13 ALA H . . 5.000 3.667 3.650 3.675 . 0 0 "[ . 1 . 2]" 1
114 1 12 ILE HA 1 15 ASP H . . 5.000 3.390 3.184 3.588 . 0 0 "[ . 1 . 2]" 1
115 1 12 ILE HA 1 15 ASP HB2 . . 3.600 3.625 3.229 3.912 0.312 19 0 "[ . 1 . 2]" 1
116 1 12 ILE HA 1 15 ASP HB3 . . 3.600 2.708 2.564 2.916 . 0 0 "[ . 1 . 2]" 1
117 1 12 ILE HA 1 16 LYS H . . 5.000 3.921 3.762 4.079 . 0 0 "[ . 1 . 2]" 1
118 1 12 ILE HB 1 12 ILE HG13 . . 2.800 2.541 2.403 2.645 . 0 0 "[ . 1 . 2]" 1
119 1 12 ILE HB 1 13 ALA H . . 2.800 2.654 2.586 2.751 . 0 0 "[ . 1 . 2]" 1
120 1 12 ILE HG13 1 13 ALA H . . 5.000 4.710 4.460 5.086 0.086 1 0 "[ . 1 . 2]" 1
121 1 12 ILE MG 1 13 ALA H . . 6.000 3.332 3.274 3.457 . 0 0 "[ . 1 . 2]" 1
122 1 12 ILE MG 1 13 ALA HA . . 6.000 3.269 3.178 3.350 . 0 0 "[ . 1 . 2]" 1
123 1 12 ILE MG 1 16 LYS H . . 6.000 3.745 3.590 3.859 . 0 0 "[ . 1 . 2]" 1
124 1 13 ALA H 1 13 ALA HA . . 2.800 2.829 2.816 2.843 0.043 14 0 "[ . 1 . 2]" 1
125 1 13 ALA H 1 14 MET H . . 2.800 2.820 2.770 2.878 0.078 6 0 "[ . 1 . 2]" 1
126 1 13 ALA H 1 15 ASP H . . 5.000 4.317 4.125 4.421 . 0 0 "[ . 1 . 2]" 1
127 1 13 ALA HA 1 14 MET H . . 5.000 3.664 3.645 3.687 . 0 0 "[ . 1 . 2]" 1
128 1 13 ALA HA 1 16 LYS H . . 3.600 3.313 3.106 3.571 . 0 0 "[ . 1 . 2]" 1
129 1 13 ALA HA 1 16 LYS HB2 . . 2.800 3.238 2.781 3.693 0.893 3 8 "[**+** 1 ** .- 2]" 1
130 1 13 ALA HA 1 16 LYS HB3 . . 2.800 2.690 2.508 2.898 0.098 20 0 "[ . 1 . 2]" 1
131 1 13 ALA HA 1 17 ILE H . . 5.000 3.994 3.838 4.104 . 0 0 "[ . 1 . 2]" 1
132 1 13 ALA MB 1 14 MET H . . 6.000 2.546 2.459 2.658 . 0 0 "[ . 1 . 2]" 1
133 1 14 MET H 1 14 MET QB . . 2.800 2.327 2.246 2.574 . 0 0 "[ . 1 . 2]" 1
134 1 14 MET H 1 14 MET ME . . 6.000 4.817 3.919 5.920 . 0 0 "[ . 1 . 2]" 1
135 1 14 MET H 1 15 ASP H . . 2.800 2.806 2.729 2.909 0.109 14 0 "[ . 1 . 2]" 1
136 1 14 MET HA 1 14 MET ME . . 6.000 3.867 2.162 4.758 . 0 0 "[ . 1 . 2]" 1
137 1 14 MET HA 1 15 ASP H . . 5.000 3.674 3.656 3.687 . 0 0 "[ . 1 . 2]" 1
138 1 14 MET HA 1 17 ILE H . . 5.000 3.465 3.310 3.597 . 0 0 "[ . 1 . 2]" 1
139 1 14 MET HA 1 17 ILE HB . . 2.800 2.883 2.608 2.994 0.194 15 0 "[ . 1 . 2]" 1
140 1 14 MET HA 1 17 ILE MD . . 6.000 3.457 2.522 5.057 . 0 0 "[ . 1 . 2]" 1
141 1 14 MET HA 1 18 HIS H . . 5.000 3.958 3.582 4.094 . 0 0 "[ . 1 . 2]" 1
142 1 14 MET QB 1 14 MET ME . . 3.800 2.788 2.275 3.754 . 0 0 "[ . 1 . 2]" 1
143 1 14 MET QB 1 15 ASP H . . 5.000 2.540 2.427 2.684 . 0 0 "[ . 1 . 2]" 1
144 1 14 MET ME 1 15 ASP H . . 6.000 4.326 2.880 5.481 . 0 0 "[ . 1 . 2]" 1
145 1 14 MET ME 1 16 LYS H . . 6.000 5.990 5.111 7.237 1.237 6 3 "[- .+ 1 * . 2]" 1
146 1 14 MET ME 1 18 HIS H . . 6.000 4.655 3.207 5.936 . 0 0 "[ . 1 . 2]" 1
147 1 14 MET O 1 18 HIS H . . 2.000 1.844 1.736 1.994 . 0 0 "[ . 1 . 2]" 1
148 1 14 MET O 1 18 HIS N . . 3.000 2.835 2.728 2.995 . 0 0 "[ . 1 . 2]" 1
149 1 15 ASP H 1 15 ASP HA . . 2.800 2.831 2.812 2.853 0.053 14 0 "[ . 1 . 2]" 1
150 1 15 ASP H 1 15 ASP HB2 . . 2.800 2.628 2.574 2.690 . 0 0 "[ . 1 . 2]" 1
151 1 15 ASP H 1 16 LYS H . . 2.800 2.810 2.751 2.880 0.080 15 0 "[ . 1 . 2]" 1
152 1 15 ASP H 1 17 ILE H . . 5.000 4.332 4.203 4.513 . 0 0 "[ . 1 . 2]" 1
153 1 15 ASP HA 1 15 ASP HB3 . . 2.800 3.081 3.078 3.084 0.284 11 0 "[ . 1 . 2]" 1
154 1 15 ASP HA 1 18 HIS H . . 2.800 3.385 3.237 3.643 0.843 1 16 "[+** ** *-*****.*** *]" 1
155 1 15 ASP HB2 1 16 LYS H . . 3.600 4.002 3.892 4.111 0.511 8 1 "[ . + 1 . 2]" 1
156 1 15 ASP HB3 1 16 LYS H . . 2.800 2.666 2.469 2.862 0.062 8 0 "[ . 1 . 2]" 1
157 1 16 LYS H 1 16 LYS HA . . 2.800 2.825 2.773 2.875 0.075 12 0 "[ . 1 . 2]" 1
158 1 16 LYS H 1 16 LYS HB2 . . 2.800 2.445 2.363 2.507 . 0 0 "[ . 1 . 2]" 1
159 1 16 LYS H 1 16 LYS HB3 . . 2.800 2.668 2.558 2.836 0.036 19 0 "[ . 1 . 2]" 1
160 1 16 LYS H 1 16 LYS QD . . 5.600 4.438 3.981 4.922 . 0 0 "[ . 1 . 2]" 1
161 1 16 LYS HA 1 16 LYS HB2 . . 2.800 2.542 2.450 2.657 . 0 0 "[ . 1 . 2]" 1
162 1 16 LYS HA 1 16 LYS HB3 . . 2.800 3.079 3.070 3.086 0.286 8 0 "[ . 1 . 2]" 1
163 1 16 LYS HA 1 17 ILE H . . 5.000 3.647 3.623 3.676 . 0 0 "[ . 1 . 2]" 1
164 1 16 LYS HA 1 18 HIS H . . 5.000 4.652 4.520 4.882 . 0 0 "[ . 1 . 2]" 1
165 1 16 LYS HA 1 19 GLN QB . . 2.800 2.779 2.358 3.815 1.015 7 1 "[ . + 1 . 2]" 1
166 1 16 LYS HA 1 20 GLN H . . 5.000 4.951 4.508 5.372 0.372 11 0 "[ . 1 . 2]" 1
167 1 16 LYS HB2 1 17 ILE H . . 5.000 3.908 3.803 4.019 . 0 0 "[ . 1 . 2]" 1
168 1 16 LYS HB3 1 17 ILE H . . 2.800 2.671 2.564 2.884 0.084 7 0 "[ . 1 . 2]" 1
169 1 17 ILE H 1 17 ILE HB . . 2.800 2.464 2.425 2.504 . 0 0 "[ . 1 . 2]" 1
170 1 17 ILE H 1 17 ILE HG12 . . 3.600 3.291 2.362 3.819 0.219 3 0 "[ . 1 . 2]" 1
171 1 17 ILE H 1 17 ILE HG13 . . 5.000 2.874 2.368 3.757 . 0 0 "[ . 1 . 2]" 1
172 1 17 ILE HA 1 17 ILE HG12 . . 3.600 2.790 2.603 3.105 . 0 0 "[ . 1 . 2]" 1
173 1 17 ILE HA 1 18 HIS H . . 5.000 3.660 3.651 3.678 . 0 0 "[ . 1 . 2]" 1
174 1 17 ILE HA 1 19 GLN H . . 5.000 4.324 4.202 4.888 . 0 0 "[ . 1 . 2]" 1
175 1 17 ILE HA 1 20 GLN H . . 5.000 3.833 3.622 4.146 . 0 0 "[ . 1 . 2]" 1
176 1 17 ILE HA 1 20 GLN QB . . 5.000 3.833 3.620 4.104 . 0 0 "[ . 1 . 2]" 1
177 1 17 ILE HA 1 21 ASP H . . 6.000 6.041 5.673 6.415 0.415 7 0 "[ . 1 . 2]" 1
178 1 17 ILE HB 1 18 HIS H . . 2.800 2.561 2.494 2.608 . 0 0 "[ . 1 . 2]" 1
179 1 17 ILE MG 1 18 HIS H . . 6.000 3.236 3.172 3.298 . 0 0 "[ . 1 . 2]" 1
180 1 17 ILE MG 1 18 HIS HD2 . . 6.000 4.898 4.827 5.012 . 0 0 "[ . 1 . 2]" 1
181 1 18 HIS H 1 18 HIS HA . . 2.800 2.822 2.794 2.859 0.059 14 0 "[ . 1 . 2]" 1
182 1 18 HIS H 1 18 HIS QB . . 2.800 2.267 2.254 2.282 . 0 0 "[ . 1 . 2]" 1
183 1 18 HIS HA 1 18 HIS QB . . 2.800 2.436 2.393 2.453 . 0 0 "[ . 1 . 2]" 1
184 1 18 HIS HA 1 18 HIS HD2 . . 3.600 2.376 2.359 2.455 . 0 0 "[ . 1 . 2]" 1
185 1 18 HIS HA 1 19 GLN H . . 3.600 3.624 3.596 3.668 0.068 7 0 "[ . 1 . 2]" 1
186 1 18 HIS HA 1 21 ASP H . . 5.000 3.422 3.170 3.749 . 0 0 "[ . 1 . 2]" 1
187 1 18 HIS QB 1 19 GLN H . . 3.600 2.871 2.551 3.053 . 0 0 "[ . 1 . 2]" 1
188 1 18 HIS HD2 1 20 GLN QE . . 2.800 5.104 4.697 5.455 2.655 9 20 [****-***+***********] 1
189 1 18 HIS O 1 22 PHE H . . 2.000 2.433 2.150 2.905 0.905 7 7 "[ * +*-** . * 2]" 1
190 1 18 HIS O 1 22 PHE N . . 3.000 3.376 3.117 3.819 0.819 7 6 "[ - +* ** . * 2]" 1
191 1 19 GLN H 1 19 GLN HA . . 2.800 2.781 2.711 2.813 0.013 4 0 "[ . 1 . 2]" 1
192 1 19 GLN H 1 19 GLN QB . . 2.800 2.409 2.272 2.566 . 0 0 "[ . 1 . 2]" 1
193 1 19 GLN HA 1 19 GLN QB . . 2.800 2.427 2.197 2.501 . 0 0 "[ . 1 . 2]" 1
194 1 19 GLN HA 1 20 GLN H . . 5.000 3.641 3.623 3.656 . 0 0 "[ . 1 . 2]" 1
195 1 19 GLN HA 1 21 ASP H . . 5.000 4.241 4.063 4.375 . 0 0 "[ . 1 . 2]" 1
196 1 19 GLN HA 1 22 PHE H . . 5.000 2.902 2.703 3.222 . 0 0 "[ . 1 . 2]" 1
197 1 19 GLN HA 1 22 PHE HB2 . . 3.600 3.103 2.780 3.479 . 0 0 "[ . 1 . 2]" 1
198 1 19 GLN HA 1 22 PHE HB3 . . 5.000 2.544 2.401 2.908 . 0 0 "[ . 1 . 2]" 1
199 1 19 GLN HA 1 23 VAL H . . 5.000 3.726 3.318 4.152 . 0 0 "[ . 1 . 2]" 1
200 1 19 GLN QB 1 20 GLN H . . 2.800 2.891 2.662 3.767 0.967 7 1 "[ . + 1 . 2]" 1
201 1 20 GLN H 1 20 GLN HA . . 2.800 2.749 2.720 2.782 . 0 0 "[ . 1 . 2]" 1
202 1 20 GLN H 1 20 GLN QB . . 2.800 2.290 2.270 2.316 . 0 0 "[ . 1 . 2]" 1
203 1 20 GLN H 1 20 GLN QG . . 5.000 4.081 4.043 4.116 . 0 0 "[ . 1 . 2]" 1
204 1 20 GLN H 1 21 ASP H . . 2.800 3.098 3.028 3.205 0.405 10 0 "[ . 1 . 2]" 1
205 1 20 GLN HA 1 20 GLN QB . . 2.800 2.384 2.351 2.431 . 0 0 "[ . 1 . 2]" 1
206 1 20 GLN HA 1 20 GLN QE . . 5.000 4.516 4.327 4.702 . 0 0 "[ . 1 . 2]" 1
207 1 20 GLN HA 1 21 ASP H . . 5.000 3.692 3.670 3.725 . 0 0 "[ . 1 . 2]" 1
208 1 20 GLN HA 1 22 PHE H . . 5.000 4.696 4.544 4.908 . 0 0 "[ . 1 . 2]" 1
209 1 20 GLN HA 1 23 VAL H . . 3.600 3.859 3.681 4.040 0.440 6 0 "[ . 1 . 2]" 1
210 1 20 GLN HA 1 23 VAL HB . . 2.800 3.348 3.170 3.558 0.758 13 12 "[ ***** *1 + *- ***]" 1
211 1 20 GLN HA 1 23 VAL QG . . 6.000 3.856 3.697 4.024 . 0 0 "[ . 1 . 2]" 1
212 1 20 GLN QB 1 21 ASP H . . 5.000 2.451 2.383 2.490 . 0 0 "[ . 1 . 2]" 1
213 1 20 GLN QB 1 22 PHE H . . 5.000 4.766 4.629 4.879 . 0 0 "[ . 1 . 2]" 1
214 1 20 GLN QB 1 23 VAL H . . 5.000 5.273 5.165 5.396 0.396 13 0 "[ . 1 . 2]" 1
215 1 20 GLN QE 1 23 VAL QG . . 6.000 6.326 6.145 6.648 0.648 9 4 "[ . * +* . - 2]" 1
216 1 20 GLN QG 1 24 ASN QD . . 5.000 4.517 3.721 5.070 0.070 6 0 "[ . 1 . 2]" 1
217 1 21 ASP H 1 21 ASP QB . . 2.800 2.505 2.316 2.615 . 0 0 "[ . 1 . 2]" 1
218 1 21 ASP H 1 22 PHE H . . 3.600 2.760 2.683 2.818 . 0 0 "[ . 1 . 2]" 1
219 1 21 ASP HA 1 21 ASP QB . . 2.800 2.311 2.172 2.408 . 0 0 "[ . 1 . 2]" 1
220 1 21 ASP HA 1 22 PHE H . . 5.000 3.667 3.628 3.700 . 0 0 "[ . 1 . 2]" 1
221 1 21 ASP HA 1 24 ASN H . . 5.000 3.606 3.415 3.756 . 0 0 "[ . 1 . 2]" 1
222 1 21 ASP HA 1 24 ASN HB2 . . 3.600 3.601 3.368 3.794 0.194 12 0 "[ . 1 . 2]" 1
223 1 21 ASP HA 1 24 ASN HB3 . . 5.000 2.554 2.453 2.647 . 0 0 "[ . 1 . 2]" 1
224 1 21 ASP HA 1 24 ASN QD . . 5.000 3.683 3.576 3.804 . 0 0 "[ . 1 . 2]" 1
225 1 21 ASP HA 1 25 TRP H . . 5.000 3.843 3.705 3.986 . 0 0 "[ . 1 . 2]" 1
226 1 21 ASP QB 1 22 PHE H . . 2.800 2.959 2.542 3.696 0.896 9 7 "[ * **+*- . * 2]" 1
227 1 21 ASP O 1 25 TRP H . . 2.000 1.801 1.783 1.829 . 0 0 "[ . 1 . 2]" 1
228 1 21 ASP O 1 25 TRP N . . 3.000 2.693 2.657 2.720 . 0 0 "[ . 1 . 2]" 1
229 1 22 PHE H 1 22 PHE HA . . 2.800 2.833 2.809 2.862 0.062 9 0 "[ . 1 . 2]" 1
230 1 22 PHE H 1 22 PHE HB2 . . 2.800 2.539 2.425 2.715 . 0 0 "[ . 1 . 2]" 1
231 1 22 PHE H 1 22 PHE HB3 . . 2.800 2.670 2.476 2.847 0.047 13 0 "[ . 1 . 2]" 1
232 1 22 PHE H 1 23 VAL H . . 3.600 2.794 2.664 2.887 . 0 0 "[ . 1 . 2]" 1
233 1 22 PHE H 1 24 ASN H . . 5.000 4.315 4.121 4.536 . 0 0 "[ . 1 . 2]" 1
234 1 22 PHE HA 1 22 PHE HB2 . . 2.800 2.529 2.458 2.603 . 0 0 "[ . 1 . 2]" 1
235 1 22 PHE HA 1 23 VAL H . . 5.000 3.645 3.624 3.661 . 0 0 "[ . 1 . 2]" 1
236 1 22 PHE HA 1 24 ASN H . . 5.000 4.812 4.602 4.977 . 0 0 "[ . 1 . 2]" 1
237 1 22 PHE HA 1 25 TRP H . . 5.000 3.397 3.217 3.544 . 0 0 "[ . 1 . 2]" 1
238 1 22 PHE HA 1 25 TRP QB . . 3.600 2.484 2.407 2.564 . 0 0 "[ . 1 . 2]" 1
239 1 22 PHE HA 1 25 TRP HD1 . . 6.000 5.932 5.780 6.066 0.066 12 0 "[ . 1 . 2]" 1
240 1 22 PHE HA 1 26 LEU H . . 5.000 4.158 3.959 4.355 . 0 0 "[ . 1 . 2]" 1
241 1 22 PHE HB2 1 23 VAL H . . 5.000 3.936 3.771 4.042 . 0 0 "[ . 1 . 2]" 1
242 1 22 PHE HB3 1 23 VAL H . . 5.000 2.668 2.625 2.744 . 0 0 "[ . 1 . 2]" 1
243 1 23 VAL H 1 23 VAL HA . . 2.800 2.893 2.870 2.905 0.105 19 0 "[ . 1 . 2]" 1
244 1 23 VAL H 1 23 VAL HB . . 2.800 2.467 2.434 2.488 . 0 0 "[ . 1 . 2]" 1
245 1 23 VAL H 1 24 ASN H . . 2.800 2.651 2.598 2.717 . 0 0 "[ . 1 . 2]" 1
246 1 23 VAL H 1 25 TRP H . . 5.000 3.875 3.778 3.960 . 0 0 "[ . 1 . 2]" 1
247 1 23 VAL HA 1 24 ASN H . . 5.000 3.676 3.667 3.682 . 0 0 "[ . 1 . 2]" 1
248 1 23 VAL HA 1 26 LEU H . . 5.000 3.271 3.139 3.432 . 0 0 "[ . 1 . 2]" 1
249 1 23 VAL HA 1 26 LEU QB . . 3.400 4.009 3.779 4.168 0.768 6 19 "[***-*+************ *]" 1
250 1 23 VAL HA 1 26 LEU QD . . 6.000 2.464 2.407 2.552 . 0 0 "[ . 1 . 2]" 1
251 1 23 VAL HA 1 26 LEU HG . . 2.800 2.422 2.328 2.476 . 0 0 "[ . 1 . 2]" 1
252 1 23 VAL HA 1 27 LEU H . . 5.000 3.960 3.883 4.018 . 0 0 "[ . 1 . 2]" 1
253 1 23 VAL HB 1 24 ASN H . . 2.800 2.656 2.591 2.725 . 0 0 "[ . 1 . 2]" 1
254 1 23 VAL QG 1 24 ASN H . . 6.000 3.188 3.095 3.251 . 0 0 "[ . 1 . 2]" 1
255 1 23 VAL QG 1 24 ASN HA . . 6.000 3.390 3.286 3.450 . 0 0 "[ . 1 . 2]" 1
256 1 23 VAL QG 1 27 LEU H . . 6.000 3.792 3.644 3.900 . 0 0 "[ . 1 . 2]" 1
257 1 24 ASN H 1 24 ASN HA . . 2.800 2.817 2.801 2.831 0.031 1 0 "[ . 1 . 2]" 1
258 1 24 ASN H 1 24 ASN HB2 . . 2.800 2.520 2.489 2.533 . 0 0 "[ . 1 . 2]" 1
259 1 24 ASN H 1 24 ASN HB3 . . 2.800 2.619 2.582 2.652 . 0 0 "[ . 1 . 2]" 1
260 1 24 ASN H 1 24 ASN QD . . 5.000 4.649 4.637 4.661 . 0 0 "[ . 1 . 2]" 1
261 1 24 ASN H 1 25 TRP H . . 3.600 2.827 2.791 2.875 . 0 0 "[ . 1 . 2]" 1
262 1 24 ASN HA 1 24 ASN HB2 . . 2.800 2.501 2.479 2.523 . 0 0 "[ . 1 . 2]" 1
263 1 24 ASN HA 1 25 TRP H . . 5.000 3.645 3.634 3.650 . 0 0 "[ . 1 . 2]" 1
264 1 24 ASN HA 1 27 LEU H . . 5.000 3.609 3.464 3.704 . 0 0 "[ . 1 . 2]" 1
265 1 24 ASN HA 1 27 LEU QB . . 3.600 2.712 2.523 2.801 . 0 0 "[ . 1 . 2]" 1
266 1 24 ASN HA 1 27 LEU MD1 . . 6.000 2.589 2.498 2.691 . 0 0 "[ . 1 . 2]" 1
267 1 24 ASN HA 1 27 LEU HG . . 5.000 3.847 3.744 3.974 . 0 0 "[ . 1 . 2]" 1
268 1 24 ASN HA 1 28 ALA H . . 5.000 3.898 3.783 4.106 . 0 0 "[ . 1 . 2]" 1
269 1 24 ASN HB2 1 25 TRP H . . 5.000 4.015 3.967 4.058 . 0 0 "[ . 1 . 2]" 1
270 1 24 ASN HB3 1 25 TRP H . . 5.000 2.742 2.678 2.808 . 0 0 "[ . 1 . 2]" 1
271 1 24 ASN O 1 28 ALA H . . 3.000 1.832 1.782 1.894 . 0 0 "[ . 1 . 2]" 1
272 1 24 ASN O 1 28 ALA N . . 3.000 2.778 2.697 2.863 . 0 0 "[ . 1 . 2]" 1
273 1 25 TRP H 1 25 TRP HA . . 2.800 2.849 2.837 2.860 0.060 19 0 "[ . 1 . 2]" 1
274 1 25 TRP H 1 25 TRP QB . . 2.800 2.303 2.283 2.322 . 0 0 "[ . 1 . 2]" 1
275 1 25 TRP H 1 25 TRP HD1 . . 6.000 5.173 5.141 5.196 . 0 0 "[ . 1 . 2]" 1
276 1 25 TRP H 1 25 TRP HE3 . . 5.000 4.497 4.454 4.560 . 0 0 "[ . 1 . 2]" 1
277 1 25 TRP H 1 26 LEU H . . 3.600 2.901 2.861 2.934 . 0 0 "[ . 1 . 2]" 1
278 1 25 TRP H 1 27 LEU H . . 5.000 4.172 4.105 4.254 . 0 0 "[ . 1 . 2]" 1
279 1 25 TRP HA 1 25 TRP QB . . 2.800 2.333 2.328 2.341 . 0 0 "[ . 1 . 2]" 1
280 1 25 TRP HA 1 25 TRP HD1 . . 3.600 3.173 3.107 3.252 . 0 0 "[ . 1 . 2]" 1
281 1 25 TRP HA 1 25 TRP HE3 . . 5.000 4.733 4.669 4.781 . 0 0 "[ . 1 . 2]" 1
282 1 25 TRP HA 1 26 LEU H . . 5.000 3.715 3.703 3.726 . 0 0 "[ . 1 . 2]" 1
283 1 25 TRP HA 1 27 LEU H . . 5.000 4.491 4.406 4.620 . 0 0 "[ . 1 . 2]" 1
284 1 25 TRP HA 1 29 GLN QE . . 5.000 5.067 4.261 5.527 0.527 3 1 "[ + . 1 . 2]" 1
285 1 25 TRP QB 1 25 TRP HD1 . . 2.800 2.685 2.668 2.702 . 0 0 "[ . 1 . 2]" 1
286 1 25 TRP QB 1 25 TRP HE3 . . 3.600 2.562 2.544 2.583 . 0 0 "[ . 1 . 2]" 1
287 1 25 TRP QB 1 26 LEU H . . 3.600 2.694 2.598 2.796 . 0 0 "[ . 1 . 2]" 1
288 1 25 TRP HD1 1 26 LEU HA . . 6.000 5.917 5.824 6.047 0.047 7 0 "[ . 1 . 2]" 1
289 1 25 TRP HD1 1 26 LEU QD . . 6.000 7.211 7.110 7.330 1.330 19 20 [*****-************+*] 1
290 1 25 TRP HD1 1 28 ALA MB . . 6.000 4.177 3.949 4.301 . 0 0 "[ . 1 . 2]" 1
291 1 25 TRP HD1 1 29 GLN QE . . 5.000 3.625 3.329 3.866 . 0 0 "[ . 1 . 2]" 1
292 1 25 TRP HE1 1 29 GLN QE . . 5.000 2.769 2.444 3.940 . 0 0 "[ . 1 . 2]" 1
293 1 25 TRP HE3 1 26 LEU H . . 5.000 2.595 2.534 2.633 . 0 0 "[ . 1 . 2]" 1
294 1 25 TRP HE3 1 26 LEU HA . . 3.600 3.052 2.927 3.116 . 0 0 "[ . 1 . 2]" 1
295 1 25 TRP HE3 1 26 LEU QB . . 5.600 2.448 2.420 2.490 . 0 0 "[ . 1 . 2]" 1
296 1 25 TRP HE3 1 26 LEU HG . . 5.000 4.373 4.193 4.553 . 0 0 "[ . 1 . 2]" 1
297 1 25 TRP HH2 1 26 LEU QD . . 6.000 5.797 5.671 5.958 . 0 0 "[ . 1 . 2]" 1
298 1 25 TRP HZ2 1 29 GLN H . . 6.000 6.154 5.912 6.339 0.339 19 0 "[ . 1 . 2]" 1
299 1 25 TRP HZ2 1 29 GLN QE . . 5.000 4.300 3.508 5.448 0.448 8 0 "[ . 1 . 2]" 1
300 1 25 TRP HZ3 1 26 LEU HA . . 5.000 3.485 3.336 3.596 . 0 0 "[ . 1 . 2]" 1
301 1 25 TRP HZ3 1 26 LEU QD . . 6.000 4.079 3.966 4.256 . 0 0 "[ . 1 . 2]" 1
302 1 25 TRP O 1 29 GLN H . . 2.000 1.874 1.775 1.954 . 0 0 "[ . 1 . 2]" 1
303 1 25 TRP O 1 29 GLN N . . 3.000 2.817 2.739 2.889 . 0 0 "[ . 1 . 2]" 1
304 1 26 LEU H 1 26 LEU HA . . 2.800 2.866 2.845 2.898 0.098 7 0 "[ . 1 . 2]" 1
305 1 26 LEU H 1 26 LEU QB . . 3.400 2.561 2.516 2.602 . 0 0 "[ . 1 . 2]" 1
306 1 26 LEU H 1 26 LEU HG . . 2.800 2.506 2.366 2.650 . 0 0 "[ . 1 . 2]" 1
307 1 26 LEU H 1 27 LEU H . . 3.600 2.732 2.639 2.811 . 0 0 "[ . 1 . 2]" 1
308 1 26 LEU HA 1 26 LEU HG . . 3.600 3.755 3.727 3.789 0.189 19 0 "[ . 1 . 2]" 1
309 1 26 LEU HA 1 27 LEU H . . 5.000 3.638 3.622 3.664 . 0 0 "[ . 1 . 2]" 1
310 1 26 LEU HA 1 28 ALA H . . 5.000 4.415 4.020 4.539 . 0 0 "[ . 1 . 2]" 1
311 1 26 LEU HA 1 29 GLN H . . 5.000 3.115 2.934 3.314 . 0 0 "[ . 1 . 2]" 1
312 1 26 LEU HA 1 29 GLN QB . . 2.800 3.027 2.732 3.257 0.457 6 0 "[ . 1 . 2]" 1
313 1 26 LEU HA 1 29 GLN QE . . 5.000 6.320 5.948 6.533 1.533 6 20 [*****+******-*******] 1
314 1 26 LEU HA 1 29 GLN QG . . 3.600 4.402 3.803 4.671 1.071 6 16 "[*****+* **** .***-*]" 1
315 1 26 LEU QB 1 27 LEU H . . 3.400 3.706 3.655 3.736 0.336 8 0 "[ . 1 . 2]" 1
316 1 26 LEU HG 1 27 LEU H . . 2.800 2.456 2.366 2.550 . 0 0 "[ . 1 . 2]" 1
317 1 27 LEU H 1 27 LEU HA . . 2.800 2.882 2.856 2.902 0.102 17 0 "[ . 1 . 2]" 1
318 1 27 LEU H 1 27 LEU QB . . 2.800 2.474 2.461 2.501 . 0 0 "[ . 1 . 2]" 1
319 1 27 LEU H 1 27 LEU HG . . 2.800 2.444 2.407 2.479 . 0 0 "[ . 1 . 2]" 1
320 1 27 LEU H 1 28 ALA H . . 3.600 2.702 2.624 2.774 . 0 0 "[ . 1 . 2]" 1
321 1 27 LEU H 1 29 GLN H . . 5.000 4.097 3.979 4.293 . 0 0 "[ . 1 . 2]" 1
322 1 27 LEU HA 1 27 LEU QB . . 2.800 2.432 2.420 2.449 . 0 0 "[ . 1 . 2]" 1
323 1 27 LEU HA 1 27 LEU MD2 . . 3.800 2.251 2.238 2.261 . 0 0 "[ . 1 . 2]" 1
324 1 27 LEU HA 1 27 LEU HG . . 2.800 3.081 3.035 3.134 0.334 12 0 "[ . 1 . 2]" 1
325 1 27 LEU HA 1 28 ALA H . . 5.000 3.650 3.617 3.666 . 0 0 "[ . 1 . 2]" 1
326 1 27 LEU QB 1 27 LEU HG . . 2.800 2.459 2.448 2.470 . 0 0 "[ . 1 . 2]" 1
327 1 27 LEU QB 1 28 ALA H . . 5.000 2.580 2.475 2.941 . 0 0 "[ . 1 . 2]" 1
328 1 27 LEU HG 1 28 ALA H . . 5.000 4.510 4.439 4.677 . 0 0 "[ . 1 . 2]" 1
329 1 28 ALA H 1 28 ALA HA . . 2.800 2.837 2.814 2.917 0.117 7 0 "[ . 1 . 2]" 1
330 1 28 ALA H 1 29 GLN H . . 2.800 2.766 2.540 2.839 0.039 4 0 "[ . 1 . 2]" 1
331 1 28 ALA H 1 30 LYS H . . 5.000 4.915 4.550 5.426 0.426 8 0 "[ . 1 . 2]" 1
332 1 28 ALA HA 1 29 GLN H . . 3.600 3.662 3.654 3.677 0.077 3 0 "[ . 1 . 2]" 1
333 1 28 ALA HA 1 30 LYS H . . 5.000 4.217 3.969 4.717 . 0 0 "[ . 1 . 2]" 1
334 1 28 ALA MB 1 29 GLN H . . 6.000 2.606 2.465 2.707 . 0 0 "[ . 1 . 2]" 1
335 1 28 ALA MB 1 29 GLN QE . . 6.000 3.693 2.442 4.283 . 0 0 "[ . 1 . 2]" 1
336 1 29 GLN H 1 29 GLN HA . . 2.800 3.007 2.986 3.017 0.217 11 0 "[ . 1 . 2]" 1
337 1 29 GLN H 1 29 GLN QB . . 2.800 2.529 2.498 2.574 . 0 0 "[ . 1 . 2]" 1
338 1 29 GLN H 1 29 GLN QE . . 5.000 4.819 3.805 5.087 0.087 17 0 "[ . 1 . 2]" 1
339 1 29 GLN H 1 29 GLN QG . . 3.600 2.593 2.487 2.690 . 0 0 "[ . 1 . 2]" 1
340 1 29 GLN H 1 30 LYS H . . 3.600 3.409 3.060 3.791 0.191 8 0 "[ . 1 . 2]" 1
341 1 29 GLN HA 1 29 GLN QB . . 2.800 2.349 2.336 2.357 . 0 0 "[ . 1 . 2]" 1
342 1 29 GLN HA 1 29 GLN QE . . 5.000 4.614 3.594 4.875 . 0 0 "[ . 1 . 2]" 1
343 1 29 GLN HA 1 29 GLN QG . . 2.800 2.573 2.403 3.178 0.378 14 0 "[ . 1 . 2]" 1
344 1 29 GLN HA 1 30 LYS H . . 2.800 2.649 2.461 2.862 0.062 1 0 "[ . 1 . 2]" 1
345 1 29 GLN QG 1 30 LYS H . . 5.000 4.627 4.493 5.044 0.044 8 0 "[ . 1 . 2]" 1
346 1 30 LYS H 1 30 LYS HA . . 2.800 2.684 2.266 2.978 0.178 16 0 "[ . 1 . 2]" 1
347 1 30 LYS H 1 30 LYS QB . . 2.800 2.802 2.265 3.471 0.671 13 2 "[ . 1 + - 2]" 1
348 1 30 LYS HA 1 30 LYS QB . . 2.800 2.455 2.372 2.600 . 0 0 "[ . 1 . 2]" 1
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