NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
282875 |
2kou   |
16534 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kou
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 390
_Distance_constraint_stats_list.Viol_count 779
_Distance_constraint_stats_list.Viol_total 1108.287
_Distance_constraint_stats_list.Viol_max 1.068
_Distance_constraint_stats_list.Viol_rms 0.1048
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0284
_Distance_constraint_stats_list.Viol_average_violations_only 0.1423
_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 6 SER 1.684 0.215 7 0 "[ . 1]"
1 7 ILE 3.475 0.215 7 0 "[ . 1]"
1 8 SER 1.986 0.219 7 0 "[ . 1]"
1 9 MET 2.014 0.270 7 0 "[ . 1]"
1 10 MET 5.248 0.724 2 6 "[*+ *-* * 1]"
1 11 TYR 0.284 0.088 10 0 "[ . 1]"
1 12 LYS 2.251 0.648 6 2 "[ -+ 1]"
1 13 TYR 0.700 0.270 7 0 "[ . 1]"
1 14 CYS 0.886 0.234 8 0 "[ . 1]"
1 15 SER 0.651 0.210 2 0 "[ . 1]"
1 16 ARG 1.470 0.199 5 0 "[ . 1]"
1 17 LEU 0.000 0.000 . 0 "[ . 1]"
1 20 ASP 0.000 0.000 . 0 "[ . 1]"
1 21 GLU 0.000 0.000 . 0 "[ . 1]"
1 22 PHE 0.000 0.000 . 0 "[ . 1]"
1 23 PHE 0.000 0.000 . 0 "[ . 1]"
1 24 GLN 0.000 0.000 . 0 "[ . 1]"
1 27 PRO 0.000 0.000 . 0 "[ . 1]"
1 28 GLU 2.249 0.335 4 0 "[ . 1]"
1 29 PHE 10.438 1.068 5 9 "[***-+* ***]"
1 30 GLN 9.974 1.068 5 9 "[***-+* ***]"
1 31 PHE 2.542 0.855 2 2 "[-+ . 1]"
1 32 LYS 0.433 0.153 2 0 "[ . 1]"
1 33 PRO 0.000 0.000 . 0 "[ . 1]"
1 34 VAL 2.306 0.889 5 1 "[ + 1]"
1 35 ASP 0.000 0.000 . 0 "[ . 1]"
1 36 GLU 0.708 0.134 10 0 "[ . 1]"
1 37 PHE 0.000 0.000 . 0 "[ . 1]"
1 38 GLY 0.873 0.147 10 0 "[ . 1]"
1 39 GLY 0.669 0.123 10 0 "[ . 1]"
1 40 THR 0.351 0.049 9 0 "[ . 1]"
1 41 ILE 1.257 0.154 1 0 "[ . 1]"
1 42 CYS 3.130 0.707 6 2 "[ .+- 1]"
1 43 ARG 0.601 0.352 6 0 "[ . 1]"
1 44 ILE 2.413 0.240 9 0 "[ . 1]"
1 45 THR 0.159 0.041 4 0 "[ . 1]"
1 46 LEU 1.054 0.097 7 0 "[ . 1]"
1 47 PRO 0.000 0.000 . 0 "[ . 1]"
1 48 ALA 1.001 0.116 10 0 "[ . 1]"
1 49 ASN 1.350 0.116 10 0 "[ . 1]"
1 50 ALA 0.914 0.083 2 0 "[ . 1]"
1 51 PRO 4.032 0.400 4 0 "[ . 1]"
1 52 ILE 7.123 0.400 4 0 "[ . 1]"
1 53 SER 0.662 0.087 9 0 "[ . 1]"
1 54 GLU 5.630 0.881 2 7 "[*+ **** -]"
1 55 ILE 6.429 0.881 2 7 "[*+ **** -]"
1 56 GLU 3.483 0.497 10 0 "[ . 1]"
1 57 SER 2.984 0.707 6 2 "[ .+- 1]"
1 58 SER 0.000 0.000 . 0 "[ . 1]"
1 59 LEU 2.134 0.182 6 0 "[ . 1]"
1 60 LEU 10.247 0.749 1 10 [+*******-*]
1 61 PRO 4.421 0.458 2 0 "[ . 1]"
1 62 SER 7.443 0.458 2 0 "[ . 1]"
1 63 THR 0.461 0.149 8 0 "[ . 1]"
1 64 GLU 1.662 0.733 6 2 "[ -+ 1]"
1 65 ALA 2.731 0.733 6 2 "[ -+ 1]"
1 66 ALA 1.848 0.170 3 0 "[ . 1]"
1 67 LYS 0.559 0.276 10 0 "[ . 1]"
1 68 LYS 0.000 0.000 . 0 "[ . 1]"
1 69 ASP 0.647 0.129 5 0 "[ . 1]"
1 70 ALA 2.021 0.222 9 0 "[ . 1]"
1 71 CYS 3.521 0.228 5 0 "[ . 1]"
1 72 LEU 7.049 0.848 4 6 "[* *+* * -1]"
1 73 LYS 6.004 0.848 4 6 "[* *+* * -1]"
1 74 ALA 0.000 0.000 . 0 "[ . 1]"
1 75 VAL 2.658 0.648 6 2 "[ -+ 1]"
1 76 HIS 1.031 0.179 4 0 "[ . 1]"
1 77 GLU 0.094 0.040 4 0 "[ . 1]"
1 78 LEU 1.755 0.180 4 0 "[ . 1]"
1 79 HIS 0.854 0.103 5 0 "[ . 1]"
1 80 ASN 0.839 0.148 5 0 "[ . 1]"
1 81 LEU 0.056 0.038 5 0 "[ . 1]"
1 82 GLY 0.393 0.065 5 0 "[ . 1]"
1 83 VAL 0.075 0.075 7 0 "[ . 1]"
1 84 LEU 0.049 0.038 5 0 "[ . 1]"
1 85 ASN 0.000 0.000 . 0 "[ . 1]"
1 86 ASP 1.090 0.112 1 0 "[ . 1]"
1 87 PHE 1.931 0.112 1 0 "[ . 1]"
1 88 LEU 0.703 0.112 1 0 "[ . 1]"
1 89 LEU 0.212 0.143 9 0 "[ . 1]"
1 90 PRO 3.495 0.551 6 6 "[-* *.+ **]"
1 91 ASP 5.075 0.551 6 6 "[-* *.+ **]"
1 92 SER 1.158 0.123 8 0 "[ . 1]"
1 93 LYS 3.747 0.611 9 5 "[-* *. +*]"
1 94 ASP 2.235 0.490 6 0 "[ . 1]"
1 95 GLU 0.605 0.178 6 0 "[ . 1]"
1 96 ILE 1.334 0.189 8 0 "[ . 1]"
1 97 GLU 3.636 0.813 8 4 "[* *. -+ 1]"
1 98 ASP 0.874 0.155 7 0 "[ . 1]"
1 99 GLU 0.692 0.108 8 0 "[ . 1]"
1 100 LEU 0.692 0.108 8 0 "[ . 1]"
1 102 ASP 0.310 0.087 9 0 "[ . 1]"
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 6 SER HA 1 7 ILE H . . 3.400 3.568 3.557 3.615 0.215 7 0 "[ . 1]" 1
2 1 6 SER HB3 1 7 ILE H . . 5.000 3.646 3.167 4.216 . 0 0 "[ . 1]" 1
3 1 7 ILE H 1 7 ILE HA . . 2.800 2.812 2.785 2.829 0.029 6 0 "[ . 1]" 1
4 1 7 ILE H 1 7 ILE HB . . 2.800 2.277 2.168 2.563 . 0 0 "[ . 1]" 1
5 1 7 ILE H 1 7 ILE MD . . 5.000 3.796 1.837 4.089 . 0 0 "[ . 1]" 1
6 1 7 ILE H 1 7 ILE HG13 . . 3.400 2.989 2.366 3.398 . 0 0 "[ . 1]" 1
7 1 7 ILE H 1 8 SER H . . 2.800 2.605 2.523 2.768 . 0 0 "[ . 1]" 1
8 1 7 ILE H 1 98 ASP HA . . 5.000 5.070 5.015 5.155 0.155 7 0 "[ . 1]" 1
9 1 7 ILE HA 1 10 MET H . . 3.400 2.761 2.542 2.989 . 0 0 "[ . 1]" 1
10 1 7 ILE HA 1 11 TYR H . . 3.400 3.272 2.805 3.428 0.028 1 0 "[ . 1]" 1
11 1 7 ILE HB 1 8 SER H . . 3.400 2.844 2.502 3.028 . 0 0 "[ . 1]" 1
12 1 7 ILE HB 1 11 TYR H . . 5.000 4.937 4.697 5.088 0.088 10 0 "[ . 1]" 1
13 1 7 ILE MD 1 8 SER H . . 5.000 4.813 3.204 5.093 0.093 10 0 "[ . 1]" 1
14 1 7 ILE HG13 1 8 SER H . . 5.000 4.836 4.356 5.058 0.058 4 0 "[ . 1]" 1
15 1 7 ILE MG 1 8 SER H . . 3.400 3.345 3.106 3.536 0.136 7 0 "[ . 1]" 1
16 1 8 SER H 1 8 SER HA . . 2.800 2.632 2.596 2.661 . 0 0 "[ . 1]" 1
17 1 8 SER H 1 9 MET H . . 2.800 2.933 2.874 3.019 0.219 7 0 "[ . 1]" 1
18 1 8 SER H 1 98 ASP HA . . 5.000 3.963 2.890 5.001 0.001 10 0 "[ . 1]" 1
19 1 8 SER HA 1 11 TYR H . . 5.000 4.126 3.708 4.558 . 0 0 "[ . 1]" 1
20 1 8 SER HA 1 12 LYS H . . 5.000 4.418 3.945 4.990 . 0 0 "[ . 1]" 1
21 1 9 MET HA 1 13 TYR H . . 5.000 5.063 4.966 5.270 0.270 7 0 "[ . 1]" 1
22 1 10 MET H 1 10 MET HA . . 2.800 2.779 2.726 2.817 0.017 6 0 "[ . 1]" 1
23 1 10 MET H 1 10 MET HB3 . . 2.800 3.071 2.130 3.524 0.724 2 6 "[*+ *-* * 1]" 1
24 1 10 MET H 1 11 TYR H . . 3.400 2.719 2.545 3.006 . 0 0 "[ . 1]" 1
25 1 10 MET H 1 75 VAL MG1 . . 5.000 3.363 2.594 4.394 . 0 0 "[ . 1]" 1
26 1 10 MET H 1 75 VAL MG2 . . 5.000 4.133 3.640 4.736 . 0 0 "[ . 1]" 1
27 1 10 MET HA 1 13 TYR H . . 5.000 3.642 3.456 3.751 . 0 0 "[ . 1]" 1
28 1 10 MET HA 1 14 CYS H . . 5.000 5.050 4.726 5.234 0.234 8 0 "[ . 1]" 1
29 1 10 MET HB3 1 11 TYR H . . 5.000 3.349 2.652 4.088 . 0 0 "[ . 1]" 1
30 1 11 TYR H 1 11 TYR HB3 . . 3.400 2.531 1.951 3.323 . 0 0 "[ . 1]" 1
31 1 11 TYR H 1 12 LYS H . . 3.400 2.773 2.643 2.951 . 0 0 "[ . 1]" 1
32 1 11 TYR H 1 75 VAL MG1 . . 5.000 4.518 3.971 5.007 0.007 1 0 "[ . 1]" 1
33 1 11 TYR HA 1 14 CYS H . . 3.400 3.126 2.841 3.284 . 0 0 "[ . 1]" 1
34 1 11 TYR HA 1 15 SER H . . 5.000 4.087 3.506 4.593 . 0 0 "[ . 1]" 1
35 1 11 TYR HB3 1 12 LYS H . . 5.000 2.665 2.269 3.262 . 0 0 "[ . 1]" 1
36 1 12 LYS H 1 12 LYS HA . . 2.800 2.693 2.654 2.776 . 0 0 "[ . 1]" 1
37 1 12 LYS H 1 12 LYS HD3 . . 5.000 3.868 2.287 4.789 . 0 0 "[ . 1]" 1
38 1 12 LYS H 1 13 TYR H . . 3.400 2.927 2.772 3.019 . 0 0 "[ . 1]" 1
39 1 12 LYS H 1 75 VAL MG1 . . 5.000 5.013 4.457 5.648 0.648 6 2 "[ -+ 1]" 1
40 1 12 LYS HA 1 15 SER H . . 3.400 3.309 3.089 3.610 0.210 2 0 "[ . 1]" 1
41 1 12 LYS HA 1 16 ARG H . . 5.000 4.843 4.342 5.199 0.199 5 0 "[ . 1]" 1
42 1 13 TYR H 1 13 TYR HB3 . . 2.800 2.400 1.881 2.821 0.021 1 0 "[ . 1]" 1
43 1 13 TYR H 1 14 CYS H . . 5.000 2.790 2.525 2.944 . 0 0 "[ . 1]" 1
44 1 13 TYR H 1 75 VAL MG1 . . 5.000 4.130 3.762 4.626 . 0 0 "[ . 1]" 1
45 1 13 TYR HA 1 16 ARG H . . 5.000 3.667 3.154 3.933 . 0 0 "[ . 1]" 1
46 1 13 TYR HB3 1 14 CYS H . . 3.400 2.569 2.386 2.720 . 0 0 "[ . 1]" 1
47 1 14 CYS H 1 15 SER H . . 3.400 2.561 2.421 2.694 . 0 0 "[ . 1]" 1
48 1 14 CYS H 1 72 LEU MD2 . . 5.000 4.838 4.504 5.038 0.038 9 0 "[ . 1]" 1
49 1 14 CYS HA 1 16 ARG H . . 5.000 3.511 3.340 3.856 . 0 0 "[ . 1]" 1
50 1 14 CYS HA 1 17 LEU H . . 5.000 4.084 3.859 4.353 . 0 0 "[ . 1]" 1
51 1 14 CYS HB3 1 15 SER H . . 5.000 3.252 2.549 3.918 . 0 0 "[ . 1]" 1
52 1 15 SER H 1 15 SER HB3 . . 3.400 2.880 2.038 3.132 . 0 0 "[ . 1]" 1
53 1 15 SER H 1 16 ARG H . . 5.000 2.724 2.437 2.815 . 0 0 "[ . 1]" 1
54 1 15 SER H 1 102 ASP H . . 3.400 3.431 3.404 3.487 0.087 9 0 "[ . 1]" 1
55 1 15 SER HA 1 16 ARG H . . 5.000 3.468 3.435 3.496 . 0 0 "[ . 1]" 1
56 1 15 SER HA 1 17 LEU H . . 5.000 3.168 3.071 3.259 . 0 0 "[ . 1]" 1
57 1 16 ARG H 1 16 ARG HB3 . . 3.400 3.294 2.242 3.576 0.176 10 0 "[ . 1]" 1
58 1 16 ARG H 1 17 LEU H . . 3.400 2.692 2.639 2.770 . 0 0 "[ . 1]" 1
59 1 16 ARG HA 1 17 LEU H . . 5.000 3.301 3.246 3.378 . 0 0 "[ . 1]" 1
60 1 17 LEU H 1 17 LEU MD1 . . 5.000 3.465 2.817 4.301 . 0 0 "[ . 1]" 1
61 1 17 LEU H 1 17 LEU MD2 . . 5.000 3.773 1.962 4.372 . 0 0 "[ . 1]" 1
62 1 20 ASP HA 1 21 GLU H . . 5.000 2.264 2.253 2.311 . 0 0 "[ . 1]" 1
63 1 21 GLU HA 1 22 PHE H . . 5.000 3.524 3.475 3.577 . 0 0 "[ . 1]" 1
64 1 22 PHE H 1 23 PHE H . . 5.000 2.643 2.486 2.694 . 0 0 "[ . 1]" 1
65 1 22 PHE HA 1 23 PHE H . . 5.000 3.364 3.238 3.565 . 0 0 "[ . 1]" 1
66 1 22 PHE HB3 1 23 PHE H . . 5.000 3.817 3.221 4.316 . 0 0 "[ . 1]" 1
67 1 24 GLN H 1 89 LEU QD . . 5.000 4.875 4.819 4.928 . 0 0 "[ . 1]" 1
68 1 27 PRO HA 1 28 GLU H . . 2.800 2.417 2.266 2.701 . 0 0 "[ . 1]" 1
69 1 27 PRO HB3 1 28 GLU H . . 5.000 3.448 3.149 3.653 . 0 0 "[ . 1]" 1
70 1 28 GLU H 1 28 GLU HB3 . . 3.400 3.549 3.377 3.735 0.335 4 0 "[ . 1]" 1
71 1 28 GLU H 1 44 ILE MD . . 5.000 4.313 2.586 5.047 0.047 7 0 "[ . 1]" 1
72 1 28 GLU H 1 45 THR H . . 3.400 3.284 3.177 3.384 . 0 0 "[ . 1]" 1
73 1 28 GLU H 1 46 LEU HA . . 3.400 3.460 3.419 3.497 0.097 7 0 "[ . 1]" 1
74 1 28 GLU H 1 46 LEU HG . . 5.000 4.673 4.443 4.952 . 0 0 "[ . 1]" 1
75 1 28 GLU HB3 1 29 PHE H . . 5.000 3.222 2.880 3.355 . 0 0 "[ . 1]" 1
76 1 28 GLU HB3 1 45 THR H . . 5.000 3.747 2.929 4.296 . 0 0 "[ . 1]" 1
77 1 29 PHE H 1 29 PHE HA . . 2.800 2.925 2.921 2.929 0.129 4 0 "[ . 1]" 1
78 1 29 PHE HA 1 30 GLN H . . 2.800 2.254 2.223 2.290 . 0 0 "[ . 1]" 1
79 1 29 PHE HA 1 45 THR H . . 5.000 3.815 3.398 4.090 . 0 0 "[ . 1]" 1
80 1 29 PHE HB3 1 30 GLN H . . 3.400 4.285 3.061 4.468 1.068 5 9 "[***-+* ***]" 1
81 1 30 GLN H 1 30 GLN HB3 . . 3.400 3.432 3.351 3.499 0.099 1 0 "[ . 1]" 1
82 1 30 GLN H 1 31 PHE H . . 5.000 4.310 4.256 4.355 . 0 0 "[ . 1]" 1
83 1 30 GLN H 1 43 ARG H . . 3.400 2.987 2.567 3.316 . 0 0 "[ . 1]" 1
84 1 30 GLN H 1 43 ARG HB3 . . 5.000 3.660 3.007 5.352 0.352 6 0 "[ . 1]" 1
85 1 30 GLN H 1 44 ILE HA . . 5.000 3.458 3.287 3.691 . 0 0 "[ . 1]" 1
86 1 30 GLN H 1 44 ILE MD . . 5.000 3.695 2.522 4.955 . 0 0 "[ . 1]" 1
87 1 30 GLN HA 1 31 PHE H . . 2.800 2.278 2.243 2.323 . 0 0 "[ . 1]" 1
88 1 30 GLN HB3 1 31 PHE H . . 5.000 3.432 3.349 3.499 . 0 0 "[ . 1]" 1
89 1 30 GLN HB3 1 43 ARG H . . 5.000 3.666 3.025 4.448 . 0 0 "[ . 1]" 1
90 1 30 GLN HG3 1 31 PHE H . . 5.000 4.726 4.459 4.925 . 0 0 "[ . 1]" 1
91 1 31 PHE H 1 31 PHE HB3 . . 2.800 2.913 2.666 3.655 0.855 2 2 "[-+ . 1]" 1
92 1 31 PHE HA 1 32 LYS H . . 2.800 2.241 2.218 2.256 . 0 0 "[ . 1]" 1
93 1 31 PHE HA 1 41 ILE H . . 5.000 5.082 4.977 5.154 0.154 1 0 "[ . 1]" 1
94 1 31 PHE HA 1 43 ARG H . . 5.000 3.120 2.833 3.433 . 0 0 "[ . 1]" 1
95 1 31 PHE HB3 1 32 LYS H . . 5.000 4.119 3.207 4.399 . 0 0 "[ . 1]" 1
96 1 32 LYS H 1 32 LYS HB3 . . 2.800 2.336 2.271 2.440 . 0 0 "[ . 1]" 1
97 1 32 LYS H 1 41 ILE H . . 5.000 3.173 3.078 3.246 . 0 0 "[ . 1]" 1
98 1 32 LYS H 1 41 ILE HB . . 5.000 3.489 2.855 5.153 0.153 2 0 "[ . 1]" 1
99 1 32 LYS H 1 41 ILE MD . . 5.000 4.937 4.474 5.092 0.092 5 0 "[ . 1]" 1
100 1 32 LYS H 1 42 CYS HA . . 3.400 3.177 2.994 3.455 0.055 10 0 "[ . 1]" 1
101 1 32 LYS HB3 1 41 ILE H . . 5.000 3.508 3.062 3.715 . 0 0 "[ . 1]" 1
102 1 33 PRO HA 1 34 VAL H . . 2.800 2.196 2.148 2.419 . 0 0 "[ . 1]" 1
103 1 33 PRO HA 1 41 ILE H . . 5.000 4.163 3.781 4.580 . 0 0 "[ . 1]" 1
104 1 34 VAL H 1 34 VAL HA . . 2.800 2.927 2.863 2.941 0.141 8 0 "[ . 1]" 1
105 1 34 VAL H 1 34 VAL HB . . 2.800 2.635 2.261 2.789 . 0 0 "[ . 1]" 1
106 1 34 VAL H 1 34 VAL MG2 . . 2.800 2.754 2.429 3.689 0.889 5 1 "[ + 1]" 1
107 1 34 VAL H 1 35 ASP H . . 5.000 4.498 4.433 4.611 . 0 0 "[ . 1]" 1
108 1 34 VAL H 1 40 THR HA . . 2.800 2.675 2.420 2.829 0.029 10 0 "[ . 1]" 1
109 1 34 VAL H 1 41 ILE H . . 5.000 3.746 2.837 4.193 . 0 0 "[ . 1]" 1
110 1 34 VAL HA 1 35 ASP H . . 2.800 2.520 2.484 2.555 . 0 0 "[ . 1]" 1
111 1 34 VAL HB 1 35 ASP H . . 5.000 3.486 3.258 3.827 . 0 0 "[ . 1]" 1
112 1 34 VAL MG1 1 35 ASP H . . 5.000 2.022 1.784 3.678 . 0 0 "[ . 1]" 1
113 1 34 VAL MG2 1 35 ASP H . . 5.000 3.679 1.798 4.046 . 0 0 "[ . 1]" 1
114 1 35 ASP HA 1 36 GLU H . . 2.800 2.504 2.331 2.610 . 0 0 "[ . 1]" 1
115 1 36 GLU H 1 36 GLU HB3 . . 3.400 2.964 2.362 3.534 0.134 10 0 "[ . 1]" 1
116 1 36 GLU H 1 36 GLU HG3 . . 2.800 2.750 2.558 2.816 0.016 9 0 "[ . 1]" 1
117 1 36 GLU H 1 37 PHE H . . 3.400 2.668 2.642 2.677 . 0 0 "[ . 1]" 1
118 1 36 GLU HA 1 37 PHE H . . 5.000 3.414 3.394 3.432 . 0 0 "[ . 1]" 1
119 1 37 PHE H 1 38 GLY H . . 2.800 2.708 2.660 2.748 . 0 0 "[ . 1]" 1
120 1 37 PHE HA 1 38 GLY H . . 5.000 3.311 3.150 3.412 . 0 0 "[ . 1]" 1
121 1 37 PHE HB3 1 38 GLY H . . 5.000 3.776 3.366 3.985 . 0 0 "[ . 1]" 1
122 1 38 GLY H 1 38 GLY HA2 . . 2.800 2.887 2.834 2.947 0.147 10 0 "[ . 1]" 1
123 1 38 GLY H 1 38 GLY HA3 . . 2.800 2.692 2.563 2.774 . 0 0 "[ . 1]" 1
124 1 38 GLY H 1 39 GLY H . . 2.800 2.100 1.862 2.581 . 0 0 "[ . 1]" 1
125 1 39 GLY H 1 40 THR H . . 5.000 4.476 4.097 4.621 . 0 0 "[ . 1]" 1
126 1 39 GLY HA2 1 40 THR H . . 5.000 3.217 3.051 3.393 . 0 0 "[ . 1]" 1
127 1 39 GLY HA2 1 62 SER H . . 5.000 5.028 4.804 5.123 0.123 10 0 "[ . 1]" 1
128 1 39 GLY HA3 1 40 THR H . . 2.800 2.222 2.200 2.279 . 0 0 "[ . 1]" 1
129 1 39 GLY HA3 1 60 LEU H . . 5.000 4.172 3.896 4.349 . 0 0 "[ . 1]" 1
130 1 39 GLY HA3 1 62 SER H . . 5.000 4.807 4.543 5.100 0.100 3 0 "[ . 1]" 1
131 1 40 THR H 1 40 THR HB . . 2.800 2.593 2.453 2.822 0.022 7 0 "[ . 1]" 1
132 1 40 THR H 1 58 SER HA . . 5.000 4.049 3.791 4.284 . 0 0 "[ . 1]" 1
133 1 40 THR H 1 60 LEU H . . 3.400 3.418 3.408 3.430 0.030 3 0 "[ . 1]" 1
134 1 40 THR H 1 60 LEU HA . . 5.000 4.814 4.498 5.049 0.049 9 0 "[ . 1]" 1
135 1 40 THR H 1 61 PRO HA . . 5.000 3.312 2.908 3.819 . 0 0 "[ . 1]" 1
136 1 40 THR HA 1 41 ILE H . . 2.800 2.273 2.220 2.330 . 0 0 "[ . 1]" 1
137 1 40 THR HB 1 41 ILE H . . 5.000 4.134 3.823 4.343 . 0 0 "[ . 1]" 1
138 1 40 THR HB 1 62 SER H . . 5.000 4.008 3.587 4.314 . 0 0 "[ . 1]" 1
139 1 41 ILE HA 1 42 CYS H . . 2.800 2.246 2.179 2.306 . 0 0 "[ . 1]" 1
140 1 41 ILE HA 1 57 SER H . . 5.000 3.747 3.437 4.217 . 0 0 "[ . 1]" 1
141 1 41 ILE HB 1 42 CYS H . . 5.000 3.954 3.248 4.311 . 0 0 "[ . 1]" 1
142 1 41 ILE MD 1 42 CYS H . . 5.000 4.544 3.132 5.037 0.037 6 0 "[ . 1]" 1
143 1 41 ILE MD 1 57 SER H . . 5.000 4.554 3.195 5.006 0.006 10 0 "[ . 1]" 1
144 1 41 ILE MD 1 58 SER H . . 4.000 3.274 2.085 3.990 . 0 0 "[ . 1]" 1
145 1 42 CYS H 1 57 SER H . . 5.000 2.671 2.563 2.885 . 0 0 "[ . 1]" 1
146 1 42 CYS H 1 58 SER HA . . 5.000 3.589 3.239 3.946 . 0 0 "[ . 1]" 1
147 1 42 CYS HA 1 43 ARG H . . 2.800 2.271 2.230 2.429 . 0 0 "[ . 1]" 1
148 1 42 CYS HA 1 57 SER H . . 5.000 5.103 5.061 5.149 0.149 9 0 "[ . 1]" 1
149 1 42 CYS HB3 1 43 ARG H . . 5.000 4.036 3.337 4.403 . 0 0 "[ . 1]" 1
150 1 42 CYS HB3 1 57 SER H . . 5.000 4.667 3.310 5.707 0.707 6 2 "[ .+- 1]" 1
151 1 43 ARG H 1 43 ARG HB3 . . 3.400 2.686 2.377 3.510 0.110 6 0 "[ . 1]" 1
152 1 43 ARG H 1 43 ARG HG3 . . 5.000 4.386 1.935 4.806 . 0 0 "[ . 1]" 1
153 1 43 ARG HA 1 44 ILE H . . 2.800 2.233 2.228 2.240 . 0 0 "[ . 1]" 1
154 1 43 ARG HA 1 55 ILE H . . 5.000 4.215 3.975 4.423 . 0 0 "[ . 1]" 1
155 1 43 ARG HA 1 56 GLU H . . 5.000 4.934 4.587 5.063 0.063 1 0 "[ . 1]" 1
156 1 43 ARG HA 1 57 SER H . . 5.000 4.585 4.369 4.767 . 0 0 "[ . 1]" 1
157 1 44 ILE H 1 55 ILE H . . 3.400 2.517 2.349 2.654 . 0 0 "[ . 1]" 1
158 1 44 ILE H 1 56 GLU HA . . 5.000 4.010 3.921 4.287 . 0 0 "[ . 1]" 1
159 1 44 ILE HA 1 45 THR H . . 2.800 2.234 2.224 2.251 . 0 0 "[ . 1]" 1
160 1 44 ILE HB 1 45 THR H . . 5.000 4.441 4.411 4.461 . 0 0 "[ . 1]" 1
161 1 44 ILE HB 1 55 ILE H . . 3.400 3.504 3.401 3.640 0.240 9 0 "[ . 1]" 1
162 1 44 ILE MD 1 55 ILE H . . 5.000 4.931 4.674 5.101 0.101 5 0 "[ . 1]" 1
163 1 44 ILE MG 1 71 CYS H . . 5.000 5.095 5.033 5.228 0.228 5 0 "[ . 1]" 1
164 1 45 THR H 1 45 THR MG . . 3.400 2.369 2.020 3.414 0.014 4 0 "[ . 1]" 1
165 1 45 THR H 1 46 LEU HG . . 5.000 4.984 4.795 5.041 0.041 4 0 "[ . 1]" 1
166 1 45 THR HA 1 46 LEU H . . 2.800 2.156 2.149 2.169 . 0 0 "[ . 1]" 1
167 1 45 THR HA 1 54 GLU H . . 5.000 4.364 4.137 4.629 . 0 0 "[ . 1]" 1
168 1 45 THR HA 1 55 ILE H . . 5.000 4.478 4.161 4.654 . 0 0 "[ . 1]" 1
169 1 45 THR MG 1 46 LEU H . . 5.000 4.090 3.299 4.370 . 0 0 "[ . 1]" 1
170 1 46 LEU H 1 46 LEU HB3 . . 3.400 3.428 3.374 3.454 0.054 1 0 "[ . 1]" 1
171 1 46 LEU H 1 46 LEU HG . . 3.400 3.222 3.028 3.340 . 0 0 "[ . 1]" 1
172 1 46 LEU H 1 54 GLU HA . . 5.000 3.942 3.691 4.132 . 0 0 "[ . 1]" 1
173 1 47 PRO HA 1 48 ALA H . . 2.800 2.461 2.389 2.549 . 0 0 "[ . 1]" 1
174 1 48 ALA H 1 49 ASN H . . 5.000 2.680 2.552 2.734 . 0 0 "[ . 1]" 1
175 1 48 ALA HA 1 49 ASN H . . 3.400 3.472 3.436 3.516 0.116 10 0 "[ . 1]" 1
176 1 48 ALA HA 1 50 ALA H . . 3.400 3.421 3.323 3.452 0.052 3 0 "[ . 1]" 1
177 1 49 ASN H 1 50 ALA H . . 3.400 2.542 2.474 2.585 . 0 0 "[ . 1]" 1
178 1 49 ASN HA 1 50 ALA H . . 3.400 3.463 3.401 3.483 0.083 2 0 "[ . 1]" 1
179 1 49 ASN HB3 1 50 ALA H . . 5.000 3.935 3.402 4.248 . 0 0 "[ . 1]" 1
180 1 50 ALA H 1 50 ALA MB . . 2.800 2.376 2.305 2.438 . 0 0 "[ . 1]" 1
181 1 51 PRO HA 1 52 ILE H . . 3.400 3.519 3.459 3.539 0.139 4 0 "[ . 1]" 1
182 1 51 PRO HB3 1 52 ILE H . . 5.000 3.678 3.427 3.934 . 0 0 "[ . 1]" 1
183 1 51 PRO HD3 1 83 VAL H . . 5.500 4.997 4.453 5.307 . 0 0 "[ . 1]" 1
184 1 51 PRO HG3 1 52 ILE H . . 3.400 3.685 3.653 3.800 0.400 4 0 "[ . 1]" 1
185 1 52 ILE H 1 52 ILE HA . . 2.800 2.932 2.931 2.937 0.137 4 0 "[ . 1]" 1
186 1 52 ILE H 1 52 ILE HB . . 3.400 3.526 3.491 3.555 0.155 6 0 "[ . 1]" 1
187 1 52 ILE H 1 52 ILE MD . . 3.400 1.891 1.848 1.912 . 0 0 "[ . 1]" 1
188 1 52 ILE H 1 53 SER H . . 5.000 4.521 4.469 4.546 . 0 0 "[ . 1]" 1
189 1 52 ILE H 1 78 LEU QD . . 4.000 3.310 2.719 3.784 . 0 0 "[ . 1]" 1
190 1 52 ILE HA 1 53 SER H . . 2.800 2.502 2.428 2.606 . 0 0 "[ . 1]" 1
191 1 52 ILE HB 1 53 SER H . . 2.800 2.458 2.253 2.617 . 0 0 "[ . 1]" 1
192 1 52 ILE MD 1 53 SER H . . 5.000 3.542 3.431 3.630 . 0 0 "[ . 1]" 1
193 1 52 ILE MD 1 54 GLU H . . 5.000 4.955 4.862 5.038 0.038 4 0 "[ . 1]" 1
194 1 52 ILE MD 1 80 ASN H . . 5.000 5.032 4.889 5.148 0.148 5 0 "[ . 1]" 1
195 1 52 ILE MG 1 53 SER H . . 5.000 3.258 3.029 3.353 . 0 0 "[ . 1]" 1
196 1 52 ILE MG 1 54 GLU H . . 5.000 4.247 4.021 4.374 . 0 0 "[ . 1]" 1
197 1 53 SER H 1 54 GLU H . . 2.800 1.836 1.789 1.857 . 0 0 "[ . 1]" 1
198 1 53 SER HA 1 54 GLU H . . 3.400 3.465 3.431 3.487 0.087 9 0 "[ . 1]" 1
199 1 53 SER HG 1 54 GLU H . . 5.000 4.682 3.827 5.011 0.011 10 0 "[ . 1]" 1
200 1 54 GLU H 1 54 GLU HA . . 2.800 2.773 2.695 2.813 0.013 3 0 "[ . 1]" 1
201 1 54 GLU H 1 55 ILE H . . 5.000 4.624 4.601 4.644 . 0 0 "[ . 1]" 1
202 1 54 GLU HA 1 55 ILE H . . 2.800 2.261 2.242 2.281 . 0 0 "[ . 1]" 1
203 1 54 GLU HB3 1 55 ILE H . . 3.400 3.850 3.240 4.281 0.881 2 7 "[*+ **** -]" 1
204 1 55 ILE H 1 55 ILE MD . . 5.000 3.772 3.045 3.888 . 0 0 "[ . 1]" 1
205 1 55 ILE H 1 55 ILE HG13 . . 5.000 3.573 2.047 4.228 . 0 0 "[ . 1]" 1
206 1 55 ILE HA 1 56 GLU H . . 2.800 2.182 2.177 2.196 . 0 0 "[ . 1]" 1
207 1 55 ILE HB 1 70 ALA H . . 5.000 4.890 4.602 5.060 0.060 10 0 "[ . 1]" 1
208 1 55 ILE MD 1 56 GLU H . . 5.000 4.106 3.795 5.025 0.025 5 0 "[ . 1]" 1
209 1 55 ILE MG 1 70 ALA H . . 5.000 4.267 3.838 5.022 0.022 10 0 "[ . 1]" 1
210 1 56 GLU H 1 56 GLU HB3 . . 3.400 3.731 3.457 3.897 0.497 10 0 "[ . 1]" 1
211 1 56 GLU HA 1 57 SER H . . 2.800 2.224 2.202 2.340 . 0 0 "[ . 1]" 1
212 1 56 GLU HB3 1 57 SER H . . 5.000 3.869 3.538 4.242 . 0 0 "[ . 1]" 1
213 1 57 SER H 1 70 ALA MB . . 4.000 3.788 3.678 3.880 . 0 0 "[ . 1]" 1
214 1 57 SER HA 1 58 SER H . . 3.400 2.285 2.228 2.337 . 0 0 "[ . 1]" 1
215 1 58 SER HA 1 59 LEU H . . 2.800 2.556 2.460 2.692 . 0 0 "[ . 1]" 1
216 1 59 LEU H 1 59 LEU QD . . 5.000 3.861 3.730 4.028 . 0 0 "[ . 1]" 1
217 1 59 LEU H 1 60 LEU H . . 5.000 1.791 1.744 1.843 . 0 0 "[ . 1]" 1
218 1 59 LEU H 1 60 LEU MD1 . . 5.000 4.940 4.077 5.099 0.099 10 0 "[ . 1]" 1
219 1 59 LEU H 1 60 LEU MD2 . . 5.000 4.135 3.962 5.073 0.073 9 0 "[ . 1]" 1
220 1 59 LEU HA 1 60 LEU H . . 3.400 3.567 3.547 3.582 0.182 6 0 "[ . 1]" 1
221 1 59 LEU HB3 1 60 LEU H . . 3.400 2.906 2.828 3.042 . 0 0 "[ . 1]" 1
222 1 59 LEU QD 1 60 LEU H . . 3.400 3.358 3.295 3.448 0.048 1 0 "[ . 1]" 1
223 1 60 LEU H 1 60 LEU HB3 . . 2.800 3.525 3.496 3.549 0.749 1 10 [+*******-*] 1
224 1 60 LEU H 1 60 LEU MD1 . . 5.000 3.769 2.921 3.906 . 0 0 "[ . 1]" 1
225 1 60 LEU H 1 60 LEU MD2 . . 3.400 2.807 2.672 3.650 0.250 9 0 "[ . 1]" 1
226 1 60 LEU H 1 61 PRO HD3 . . 5.000 4.669 4.613 4.734 . 0 0 "[ . 1]" 1
227 1 60 LEU H 1 66 ALA MB . . 3.400 2.723 2.399 2.932 . 0 0 "[ . 1]" 1
228 1 60 LEU HA 1 62 SER H . . 5.000 3.691 3.645 3.770 . 0 0 "[ . 1]" 1
229 1 60 LEU MD1 1 66 ALA H . . 5.000 5.028 4.915 5.072 0.072 10 0 "[ . 1]" 1
230 1 60 LEU MD2 1 66 ALA H . . 5.000 4.201 3.339 4.491 . 0 0 "[ . 1]" 1
231 1 61 PRO HA 1 62 SER H . . 3.400 3.234 3.221 3.274 . 0 0 "[ . 1]" 1
232 1 61 PRO HB3 1 62 SER H . . 5.000 4.619 4.585 4.629 . 0 0 "[ . 1]" 1
233 1 61 PRO HD3 1 62 SER H . . 3.400 3.842 3.794 3.858 0.458 2 0 "[ . 1]" 1
234 1 62 SER H 1 62 SER HA . . 2.800 2.917 2.914 2.919 0.119 3 0 "[ . 1]" 1
235 1 62 SER H 1 66 ALA H . . 3.400 3.518 3.479 3.570 0.170 3 0 "[ . 1]" 1
236 1 62 SER HA 1 63 THR H . . 2.800 2.352 2.334 2.384 . 0 0 "[ . 1]" 1
237 1 62 SER HA 1 64 GLU H . . 5.000 4.431 4.201 4.565 . 0 0 "[ . 1]" 1
238 1 62 SER HB3 1 63 THR H . . 5.000 3.276 3.100 3.518 . 0 0 "[ . 1]" 1
239 1 63 THR H 1 64 GLU H . . 3.400 2.620 2.539 2.674 . 0 0 "[ . 1]" 1
240 1 63 THR HA 1 64 GLU H . . 5.000 3.616 3.590 3.629 . 0 0 "[ . 1]" 1
241 1 63 THR HA 1 66 ALA H . . 3.400 3.350 3.288 3.439 0.039 10 0 "[ . 1]" 1
242 1 63 THR HA 1 67 LYS H . . 5.000 3.508 3.263 3.790 . 0 0 "[ . 1]" 1
243 1 63 THR HB 1 64 GLU H . . 3.400 2.754 2.453 3.549 0.149 8 0 "[ . 1]" 1
244 1 63 THR MG 1 64 GLU H . . 5.000 3.277 2.846 3.735 . 0 0 "[ . 1]" 1
245 1 63 THR MG 1 65 ALA H . . 5.000 4.944 4.684 5.102 0.102 8 0 "[ . 1]" 1
246 1 64 GLU H 1 64 GLU HA . . 2.800 2.736 2.719 2.760 . 0 0 "[ . 1]" 1
247 1 64 GLU H 1 65 ALA H . . 2.800 2.769 2.679 2.835 0.035 5 0 "[ . 1]" 1
248 1 64 GLU HA 1 65 ALA H . . 5.000 3.595 3.573 3.614 . 0 0 "[ . 1]" 1
249 1 64 GLU HA 1 66 ALA H . . 5.000 4.861 4.812 4.894 . 0 0 "[ . 1]" 1
250 1 64 GLU HA 1 67 LYS H . . 4.500 3.792 3.718 3.835 . 0 0 "[ . 1]" 1
251 1 64 GLU HB3 1 65 ALA H . . 3.400 3.463 3.065 4.133 0.733 6 2 "[ -+ 1]" 1
252 1 65 ALA H 1 65 ALA HA . . 2.800 2.865 2.852 2.873 0.073 8 0 "[ . 1]" 1
253 1 65 ALA H 1 65 ALA MB . . 2.800 2.140 2.023 2.200 . 0 0 "[ . 1]" 1
254 1 65 ALA H 1 66 ALA H . . 2.800 2.494 2.468 2.530 . 0 0 "[ . 1]" 1
255 1 65 ALA H 1 67 LYS HG3 . . 5.000 4.987 4.863 5.276 0.276 10 0 "[ . 1]" 1
256 1 66 ALA H 1 66 ALA MB . . 2.800 2.152 2.138 2.164 . 0 0 "[ . 1]" 1
257 1 66 ALA H 1 67 LYS H . . 2.800 2.827 2.801 2.857 0.057 4 0 "[ . 1]" 1
258 1 66 ALA HA 1 67 LYS H . . 5.000 3.610 3.595 3.623 . 0 0 "[ . 1]" 1
259 1 66 ALA HA 1 69 ASP H . . 5.000 3.407 3.240 3.502 . 0 0 "[ . 1]" 1
260 1 67 LYS H 1 68 LYS H . . 3.400 2.533 2.515 2.572 . 0 0 "[ . 1]" 1
261 1 67 LYS HA 1 70 ALA H . . 5.000 3.558 3.439 3.688 . 0 0 "[ . 1]" 1
262 1 67 LYS HG3 1 69 ASP H . . 5.500 4.462 4.376 4.651 . 0 0 "[ . 1]" 1
263 1 69 ASP H 1 69 ASP HA . . 2.800 2.757 2.734 2.779 . 0 0 "[ . 1]" 1
264 1 69 ASP H 1 69 ASP HB3 . . 2.800 2.736 2.675 2.804 0.004 10 0 "[ . 1]" 1
265 1 69 ASP H 1 70 ALA H . . 3.400 2.878 2.817 2.950 . 0 0 "[ . 1]" 1
266 1 69 ASP HA 1 70 ALA H . . 5.000 3.656 3.655 3.657 . 0 0 "[ . 1]" 1
267 1 69 ASP HA 1 72 LEU H . . 3.400 3.464 3.410 3.529 0.129 5 0 "[ . 1]" 1
268 1 69 ASP HB3 1 70 ALA H . . 3.400 1.996 1.933 2.063 . 0 0 "[ . 1]" 1
269 1 70 ALA H 1 70 ALA MB . . 2.800 2.023 1.932 2.083 . 0 0 "[ . 1]" 1
270 1 70 ALA H 1 71 CYS H . . 3.400 2.719 2.677 2.811 . 0 0 "[ . 1]" 1
271 1 70 ALA HA 1 71 CYS H . . 3.400 3.588 3.551 3.622 0.222 9 0 "[ . 1]" 1
272 1 70 ALA HA 1 72 LEU H . . 5.000 4.451 4.206 4.550 . 0 0 "[ . 1]" 1
273 1 70 ALA HA 1 73 LYS H . . 5.000 3.268 3.112 3.350 . 0 0 "[ . 1]" 1
274 1 70 ALA MB 1 71 CYS H . . 3.400 2.759 2.619 2.894 . 0 0 "[ . 1]" 1
275 1 71 CYS H 1 71 CYS HA . . 2.800 2.780 2.732 2.803 0.003 7 0 "[ . 1]" 1
276 1 71 CYS H 1 71 CYS HB3 . . 3.400 3.257 2.281 3.512 0.112 8 0 "[ . 1]" 1
277 1 71 CYS H 1 74 ALA MB . . 5.000 4.350 4.040 4.618 . 0 0 "[ . 1]" 1
278 1 71 CYS HB3 1 72 LEU H . . 5.000 3.228 2.636 3.464 . 0 0 "[ . 1]" 1
279 1 72 LEU H 1 72 LEU HA . . 2.800 2.807 2.780 2.826 0.026 7 0 "[ . 1]" 1
280 1 72 LEU H 1 72 LEU MD2 . . 5.000 2.797 2.234 3.600 . 0 0 "[ . 1]" 1
281 1 72 LEU H 1 72 LEU HG . . 2.800 2.829 2.762 2.899 0.099 9 0 "[ . 1]" 1
282 1 72 LEU H 1 73 LYS H . . 3.400 2.652 2.581 2.749 . 0 0 "[ . 1]" 1
283 1 72 LEU H 1 73 LYS HB3 . . 5.000 5.568 4.806 5.848 0.848 4 6 "[* *+* * -1]" 1
284 1 72 LEU MD2 1 73 LYS H . . 5.000 4.417 4.240 4.631 . 0 0 "[ . 1]" 1
285 1 73 LYS H 1 73 LYS HA . . 2.800 2.802 2.763 2.851 0.051 5 0 "[ . 1]" 1
286 1 73 LYS H 1 73 LYS HB3 . . 3.400 3.098 2.508 3.390 . 0 0 "[ . 1]" 1
287 1 73 LYS H 1 74 ALA H . . 2.800 2.599 2.433 2.710 . 0 0 "[ . 1]" 1
288 1 73 LYS HA 1 75 VAL H . . 5.000 4.402 4.210 4.607 . 0 0 "[ . 1]" 1
289 1 73 LYS HA 1 77 GLU H . . 5.000 4.117 3.649 4.564 . 0 0 "[ . 1]" 1
290 1 74 ALA H 1 75 VAL H . . 2.800 2.597 2.504 2.748 . 0 0 "[ . 1]" 1
291 1 74 ALA HA 1 77 GLU H . . 5.000 3.286 3.192 3.487 . 0 0 "[ . 1]" 1
292 1 74 ALA HA 1 78 LEU H . . 5.000 4.311 4.051 4.646 . 0 0 "[ . 1]" 1
293 1 74 ALA MB 1 78 LEU H . . 5.000 4.723 4.525 4.981 . 0 0 "[ . 1]" 1
294 1 75 VAL H 1 75 VAL HA . . 2.800 2.777 2.764 2.806 0.006 6 0 "[ . 1]" 1
295 1 75 VAL H 1 75 VAL HB . . 2.800 2.384 1.952 2.665 . 0 0 "[ . 1]" 1
296 1 75 VAL H 1 75 VAL MG2 . . 3.400 2.585 1.876 3.704 0.304 6 0 "[ . 1]" 1
297 1 75 VAL HA 1 78 LEU H . . 5.000 3.384 3.282 3.544 . 0 0 "[ . 1]" 1
298 1 75 VAL HA 1 79 HIS H . . 5.000 3.991 3.694 4.144 . 0 0 "[ . 1]" 1
299 1 75 VAL MG1 1 78 LEU H . . 5.000 4.514 4.318 4.837 . 0 0 "[ . 1]" 1
300 1 75 VAL MG2 1 78 LEU H . . 5.000 4.934 4.295 5.180 0.180 4 0 "[ . 1]" 1
301 1 76 HIS HA 1 77 GLU H . . 5.000 3.614 3.598 3.620 . 0 0 "[ . 1]" 1
302 1 76 HIS HA 1 78 LEU H . . 5.000 3.984 3.846 4.050 . 0 0 "[ . 1]" 1
303 1 76 HIS HA 1 79 HIS H . . 5.000 2.972 2.836 3.141 . 0 0 "[ . 1]" 1
304 1 76 HIS HA 1 80 ASN H . . 3.400 3.393 3.137 3.491 0.091 5 0 "[ . 1]" 1
305 1 76 HIS HB3 1 78 LEU H . . 5.000 5.065 4.997 5.179 0.179 4 0 "[ . 1]" 1
306 1 76 HIS HB3 1 80 ASN H . . 5.000 4.418 3.997 4.689 . 0 0 "[ . 1]" 1
307 1 77 GLU H 1 77 GLU HG3 . . 5.000 3.306 2.620 4.266 . 0 0 "[ . 1]" 1
308 1 77 GLU H 1 78 LEU HB3 . . 5.000 4.987 4.829 5.040 0.040 4 0 "[ . 1]" 1
309 1 77 GLU HA 1 78 LEU H . . 5.000 3.546 3.535 3.551 . 0 0 "[ . 1]" 1
310 1 77 GLU HA 1 80 ASN H . . 5.000 3.713 3.621 3.821 . 0 0 "[ . 1]" 1
311 1 77 GLU HA 1 81 LEU H . . 5.000 4.231 3.857 4.731 . 0 0 "[ . 1]" 1
312 1 78 LEU H 1 79 HIS H . . 3.400 2.241 2.150 2.314 . 0 0 "[ . 1]" 1
313 1 78 LEU HA 1 79 HIS H . . 5.000 3.561 3.541 3.602 . 0 0 "[ . 1]" 1
314 1 78 LEU HA 1 81 LEU H . . 5.000 3.412 3.239 3.590 . 0 0 "[ . 1]" 1
315 1 78 LEU HB3 1 79 HIS H . . 5.000 2.928 2.732 3.014 . 0 0 "[ . 1]" 1
316 1 78 LEU HB3 1 82 GLY H . . 5.000 5.030 4.976 5.058 0.058 4 0 "[ . 1]" 1
317 1 78 LEU QD 1 83 VAL H . . 5.000 3.546 3.106 4.139 . 0 0 "[ . 1]" 1
318 1 79 HIS H 1 79 HIS HB3 . . 2.800 2.885 2.859 2.903 0.103 5 0 "[ . 1]" 1
319 1 79 HIS H 1 80 ASN H . . 3.400 2.580 2.544 2.731 . 0 0 "[ . 1]" 1
320 1 79 HIS HA 1 80 ASN H . . 5.000 3.617 3.613 3.620 . 0 0 "[ . 1]" 1
321 1 79 HIS HA 1 81 LEU H . . 5.000 4.201 3.892 4.571 . 0 0 "[ . 1]" 1
322 1 79 HIS HA 1 82 GLY H . . 5.000 4.299 4.095 4.535 . 0 0 "[ . 1]" 1
323 1 79 HIS HB3 1 80 ASN H . . 3.400 2.675 2.641 2.700 . 0 0 "[ . 1]" 1
324 1 80 ASN H 1 81 LEU H . . 2.800 2.669 2.609 2.788 . 0 0 "[ . 1]" 1
325 1 80 ASN HB3 1 81 LEU H . . 5.000 2.757 2.380 3.060 . 0 0 "[ . 1]" 1
326 1 81 LEU H 1 81 LEU MD1 . . 5.000 4.321 4.079 4.419 . 0 0 "[ . 1]" 1
327 1 81 LEU H 1 81 LEU MD2 . . 5.000 4.068 3.957 4.169 . 0 0 "[ . 1]" 1
328 1 81 LEU H 1 82 GLY H . . 2.800 2.765 2.726 2.805 0.005 9 0 "[ . 1]" 1
329 1 81 LEU HB3 1 83 VAL H . . 5.000 3.465 3.232 4.044 . 0 0 "[ . 1]" 1
330 1 81 LEU MD1 1 82 GLY H . . 5.000 3.421 2.303 3.901 . 0 0 "[ . 1]" 1
331 1 81 LEU MD1 1 83 VAL H . . 5.000 3.083 1.921 3.844 . 0 0 "[ . 1]" 1
332 1 81 LEU MD1 1 84 LEU H . . 5.000 4.571 3.333 5.038 0.038 5 0 "[ . 1]" 1
333 1 81 LEU MD2 1 82 GLY H . . 5.000 3.462 2.670 3.767 . 0 0 "[ . 1]" 1
334 1 81 LEU MD2 1 84 LEU H . . 5.000 4.696 3.447 4.998 . 0 0 "[ . 1]" 1
335 1 82 GLY H 1 82 GLY HA2 . . 2.800 2.257 2.247 2.273 . 0 0 "[ . 1]" 1
336 1 82 GLY H 1 82 GLY HA3 . . 2.800 2.744 2.669 2.865 0.065 5 0 "[ . 1]" 1
337 1 82 GLY H 1 83 VAL H . . 3.400 3.000 2.633 3.145 . 0 0 "[ . 1]" 1
338 1 82 GLY HA2 1 83 VAL H . . 5.000 2.672 2.626 2.722 . 0 0 "[ . 1]" 1
339 1 82 GLY HA3 1 83 VAL H . . 5.000 3.644 3.642 3.646 . 0 0 "[ . 1]" 1
340 1 83 VAL H 1 83 VAL MG1 . . 3.400 2.462 1.969 3.475 0.075 7 0 "[ . 1]" 1
341 1 83 VAL H 1 84 LEU H . . 3.400 2.115 1.904 2.355 . 0 0 "[ . 1]" 1
342 1 83 VAL HA 1 84 LEU H . . 5.000 3.353 3.217 3.430 . 0 0 "[ . 1]" 1
343 1 83 VAL MG1 1 84 LEU H . . 5.000 3.116 2.492 4.131 . 0 0 "[ . 1]" 1
344 1 85 ASN HA 1 86 ASP H . . 5.000 3.476 3.459 3.500 . 0 0 "[ . 1]" 1
345 1 85 ASN HA 1 87 PHE H . . 5.000 3.650 3.489 3.835 . 0 0 "[ . 1]" 1
346 1 86 ASP H 1 87 PHE H . . 5.000 2.479 2.346 2.599 . 0 0 "[ . 1]" 1
347 1 86 ASP HA 1 87 PHE H . . 3.400 3.509 3.506 3.512 0.112 1 0 "[ . 1]" 1
348 1 86 ASP HB3 1 87 PHE H . . 5.000 3.828 3.047 4.139 . 0 0 "[ . 1]" 1
349 1 87 PHE H 1 87 PHE HB3 . . 3.400 2.980 2.011 3.510 0.110 3 0 "[ . 1]" 1
350 1 87 PHE H 1 88 LEU H . . 2.800 2.251 2.195 2.479 . 0 0 "[ . 1]" 1
351 1 87 PHE HA 1 88 LEU H . . 3.400 3.470 3.458 3.512 0.112 1 0 "[ . 1]" 1
352 1 87 PHE HB3 1 88 LEU H . . 5.000 3.517 3.109 4.044 . 0 0 "[ . 1]" 1
353 1 88 LEU H 1 88 LEU MD1 . . 5.000 3.648 3.321 4.104 . 0 0 "[ . 1]" 1
354 1 88 LEU H 1 88 LEU HG . . 2.800 2.547 2.175 2.803 0.003 5 0 "[ . 1]" 1
355 1 88 LEU H 1 89 LEU H . . 5.000 4.578 4.541 4.620 . 0 0 "[ . 1]" 1
356 1 88 LEU HA 1 89 LEU H . . 2.800 2.353 2.332 2.371 . 0 0 "[ . 1]" 1
357 1 89 LEU H 1 89 LEU HG . . 3.400 2.556 1.944 3.543 0.143 9 0 "[ . 1]" 1
358 1 90 PRO HA 1 91 ASP H . . 3.400 3.054 2.765 3.461 0.061 5 0 "[ . 1]" 1
359 1 90 PRO HB3 1 91 ASP H . . 3.400 3.227 3.094 3.429 0.029 5 0 "[ . 1]" 1
360 1 90 PRO HD3 1 91 ASP H . . 5.000 5.059 4.340 5.551 0.551 6 6 "[-* *.+ **]" 1
361 1 91 ASP H 1 91 ASP HA . . 2.800 2.843 2.756 2.906 0.106 6 0 "[ . 1]" 1
362 1 91 ASP H 1 92 SER H . . 3.400 2.272 1.965 2.614 . 0 0 "[ . 1]" 1
363 1 91 ASP HA 1 92 SER H . . 3.400 3.510 3.493 3.523 0.123 8 0 "[ . 1]" 1
364 1 91 ASP HA 1 93 LYS H . . 5.000 4.314 3.905 4.638 . 0 0 "[ . 1]" 1
365 1 92 SER H 1 92 SER HA . . 2.800 2.772 2.728 2.821 0.021 10 0 "[ . 1]" 1
366 1 92 SER H 1 92 SER HB3 . . 3.400 3.061 2.410 3.391 . 0 0 "[ . 1]" 1
367 1 92 SER H 1 93 LYS H . . 5.000 2.680 2.564 2.792 . 0 0 "[ . 1]" 1
368 1 93 LYS H 1 93 LYS HA . . 2.800 2.848 2.794 2.882 0.082 1 0 "[ . 1]" 1
369 1 93 LYS H 1 93 LYS HB3 . . 2.800 2.803 2.115 3.411 0.611 9 5 "[-* *. +*]" 1
370 1 93 LYS H 1 94 ASP H . . 3.400 2.504 2.348 2.619 . 0 0 "[ . 1]" 1
371 1 93 LYS HA 1 94 ASP H . . 3.400 3.406 3.315 3.491 0.091 6 0 "[ . 1]" 1
372 1 94 ASP H 1 94 ASP HA . . 2.800 2.831 2.790 2.873 0.073 4 0 "[ . 1]" 1
373 1 94 ASP H 1 94 ASP HB3 . . 2.800 2.794 2.527 3.290 0.490 6 0 "[ . 1]" 1
374 1 94 ASP HA 1 95 GLU H . . 3.400 3.460 3.400 3.578 0.178 6 0 "[ . 1]" 1
375 1 94 ASP HB3 1 95 GLU H . . 5.000 3.297 3.158 3.394 . 0 0 "[ . 1]" 1
376 1 95 GLU HA 1 96 ILE H . . 3.400 2.563 2.402 2.808 . 0 0 "[ . 1]" 1
377 1 95 GLU HB3 1 96 ILE H . . 5.000 4.491 4.280 4.722 . 0 0 "[ . 1]" 1
378 1 96 ILE H 1 96 ILE MD . . 5.000 3.763 2.527 4.390 . 0 0 "[ . 1]" 1
379 1 96 ILE H 1 96 ILE HG13 . . 3.400 2.517 1.910 3.553 0.153 8 0 "[ . 1]" 1
380 1 96 ILE HA 1 97 GLU H . . 2.800 2.476 2.241 2.564 . 0 0 "[ . 1]" 1
381 1 96 ILE HB 1 97 GLU H . . 3.400 2.864 2.292 3.535 0.135 6 0 "[ . 1]" 1
382 1 96 ILE MD 1 97 GLU H . . 3.400 3.352 3.016 3.589 0.189 8 0 "[ . 1]" 1
383 1 97 GLU H 1 97 GLU HG3 . . 3.400 3.582 2.928 4.213 0.813 8 4 "[* *. -+ 1]" 1
384 1 98 ASP H 1 98 ASP HA . . 2.800 2.746 2.736 2.770 . 0 0 "[ . 1]" 1
385 1 98 ASP H 1 98 ASP HB3 . . 3.400 2.659 2.106 3.487 0.087 9 0 "[ . 1]" 1
386 1 99 GLU HA 1 100 LEU H . . 3.500 3.569 3.556 3.608 0.108 8 0 "[ . 1]" 1
387 1 99 GLU HB3 1 100 LEU H . . 5.000 3.195 2.897 4.033 . 0 0 "[ . 1]" 1
388 1 100 LEU H 1 100 LEU HB3 . . 2.800 2.577 2.395 2.701 . 0 0 "[ . 1]" 1
389 1 100 LEU H 1 100 LEU MD1 . . 5.000 3.981 3.752 4.105 . 0 0 "[ . 1]" 1
390 1 100 LEU H 1 100 LEU MD2 . . 5.000 4.184 3.876 4.301 . 0 0 "[ . 1]" 1
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