NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
580585 |
2mdj   |
19488 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mdj
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 310
_Distance_constraint_stats_list.Viol_count 828
_Distance_constraint_stats_list.Viol_total 2363.182
_Distance_constraint_stats_list.Viol_max 1.698
_Distance_constraint_stats_list.Viol_rms 0.1175
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0339
_Distance_constraint_stats_list.Viol_average_violations_only 0.1903
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 0.035 0.022 3 0 "[ . 1 .]"
1 3 ASP 6.179 0.414 4 0 "[ . 1 .]"
1 4 LEU 5.941 0.436 2 0 "[ . 1 .]"
1 7 PRO 2.557 0.873 3 1 "[ + . 1 .]"
1 8 SER 7.277 0.603 3 4 "[* + . *- .]"
1 15 ILE 1.891 0.304 5 0 "[ . 1 .]"
1 16 VAL 3.249 0.198 4 0 "[ . 1 .]"
1 17 LEU 2.104 0.328 5 0 "[ . 1 .]"
1 19 PRO 0.968 0.120 4 0 "[ . 1 .]"
1 20 ASN 4.137 0.646 14 1 "[ . 1 +.]"
1 21 TRP 13.430 0.886 1 2 "[+ . 1 -.]"
1 22 LYS 21.425 1.698 10 6 "[* ** - +* .]"
1 23 THR 16.161 1.698 10 8 "[*- **** +* .]"
1 24 ALA 13.044 1.134 5 9 "[ ** +-** *** .]"
1 25 ARG 5.842 0.845 12 5 "[* .-* * + .]"
1 26 ASP 4.522 0.790 1 1 "[+ . 1 .]"
1 27 PRO 14.268 0.478 10 0 "[ . 1 .]"
1 28 GLU 0.603 0.202 12 0 "[ . 1 .]"
1 29 GLY 4.130 0.349 12 0 "[ . 1 .]"
1 30 LYS 0.390 0.202 12 0 "[ . 1 .]"
1 31 ILE 8.941 1.094 12 2 "[* . 1 + .]"
1 32 TYR 15.759 1.134 5 9 "[ ** +*-* ** *]"
1 33 TYR 7.766 0.720 11 3 "[ - . * 1+ .]"
1 34 TYR 8.407 0.843 3 2 "[ + . -1 .]"
1 35 HIS 4.871 0.357 2 0 "[ . 1 .]"
1 36 VAL 4.456 0.886 1 2 "[+ . 1 -.]"
1 37 ILE 12.118 0.720 7 6 "[- * . + 1* * *]"
1 38 THR 9.446 0.720 7 6 "[- * . + 1* * *]"
1 39 ARG 10.594 0.944 9 7 "[* **. +1-* *.]"
1 40 GLN 8.503 0.434 2 0 "[ . 1 .]"
1 41 THR 8.922 0.873 3 2 "[ + . *1 .]"
1 42 GLN 7.199 0.720 11 2 "[ . - 1+ .]"
1 43 TRP 1.633 0.622 15 1 "[ . 1 +]"
1 44 ASP 0.617 0.222 15 0 "[ . 1 .]"
1 46 PRO 0.838 0.309 13 0 "[ . 1 .]"
1 47 THR 5.746 0.690 7 2 "[ . + -1 .]"
1 48 TRP 7.340 0.690 7 2 "[ . + -1 .]"
1 49 GLU 4.477 0.213 4 0 "[ . 1 .]"
1 50 SER 2.325 0.213 4 0 "[ . 1 .]"
1 51 PRO 1.798 0.290 10 0 "[ . 1 .]"
1 52 GLY 1.798 0.290 10 0 "[ . 1 .]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 54 ASP 0.000 0.000 . 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 2 SER HA 1 3 ASP H 3.473 . 4.981 3.573 3.554 3.598 . 0 0 "[ . 1 .]" 1
2 1 2 SER QB 1 3 ASP H 1.928 . 2.392 2.328 2.203 2.414 0.022 3 0 "[ . 1 .]" 1
3 1 2 SER QB 1 3 ASP HB3 15.457 . 45.321 4.843 4.116 5.489 . 0 0 "[ . 1 .]" 1
4 1 3 ASP H 1 3 ASP HB3 3.582 . 5.186 3.114 2.443 3.681 . 0 0 "[ . 1 .]" 1
5 1 3 ASP HA 1 3 ASP HB2 2.430 . 3.168 2.762 2.428 3.040 . 0 0 "[ . 1 .]" 1
6 1 3 ASP HA 1 3 ASP HB3 2.075 . 2.613 2.739 2.404 3.027 0.414 4 0 "[ . 1 .]" 1
7 1 3 ASP HA 1 4 LEU H 2.524 . 3.321 3.452 3.427 3.477 0.156 6 0 "[ . 1 .]" 1
8 1 3 ASP HB2 1 4 LEU H 2.673 . 3.566 3.172 2.572 3.803 0.237 4 0 "[ . 1 .]" 1
9 1 3 ASP HB2 1 20 ASN QB 2.996 . 4.118 3.780 3.235 4.096 . 0 0 "[ . 1 .]" 1
10 1 3 ASP HB3 1 4 LEU H 2.796 . 3.773 3.093 2.407 3.840 0.067 2 0 "[ . 1 .]" 1
11 1 4 LEU H 1 4 LEU HA 2.363 . 3.061 2.920 2.912 2.930 . 0 0 "[ . 1 .]" 1
12 1 4 LEU H 1 4 LEU QB 2.452 . 3.203 2.508 2.339 2.920 . 0 0 "[ . 1 .]" 1
13 1 4 LEU H 1 4 LEU HG 2.527 . 3.325 3.442 3.352 3.676 0.351 2 0 "[ . 1 .]" 1
14 1 4 LEU HA 1 4 LEU QB 2.367 . 3.068 2.441 2.156 2.506 . 0 0 "[ . 1 .]" 1
15 1 4 LEU HA 1 36 VAL MG2 6.867 . 12.761 5.436 3.729 6.030 . 0 0 "[ . 1 .]" 1
16 1 4 LEU QB 1 4 LEU HG 2.156 . 2.737 2.317 2.154 2.374 . 0 0 "[ . 1 .]" 1
17 1 4 LEU QB 1 36 VAL HA 2.833 . 3.836 2.891 1.506 3.294 0.324 2 0 "[ . 1 .]" 1
18 1 4 LEU QB 1 36 VAL HB 2.167 . 2.754 2.150 1.549 3.190 0.436 2 0 "[ . 1 .]" 1
19 1 7 PRO HB2 1 8 SER H 2.775 . 3.738 3.080 2.859 3.270 . 0 0 "[ . 1 .]" 1
20 1 7 PRO HB2 1 41 THR HA 3.064 . 4.238 4.315 4.026 4.890 0.652 3 1 "[ + . 1 .]" 1
21 1 7 PRO HG2 1 41 THR HB 3.313 . 4.685 3.633 2.209 5.558 0.873 3 1 "[ + . 1 .]" 1
22 1 8 SER H 1 8 SER HA 2.852 . 3.869 2.895 2.860 2.935 . 0 0 "[ . 1 .]" 1
23 1 8 SER H 1 8 SER HB2 1.895 . 2.344 2.528 2.251 2.947 0.603 3 4 "[* + . *- .]" 1
24 1 8 SER H 1 8 SER HB3 2.329 . 3.007 3.037 2.314 3.487 0.480 15 0 "[ . 1 .]" 1
25 1 15 ILE H 1 15 ILE HA 2.211 . 2.822 2.585 2.193 2.739 . 0 0 "[ . 1 .]" 1
26 1 15 ILE H 1 15 ILE HB 1.976 . 2.464 2.252 1.987 2.768 0.304 5 0 "[ . 1 .]" 1
27 1 15 ILE H 1 15 ILE QG 2.826 . 3.825 3.912 3.817 4.032 0.207 11 0 "[ . 1 .]" 1
28 1 15 ILE H 1 15 ILE MG 4.513 . 7.059 2.571 2.104 3.878 . 0 0 "[ . 1 .]" 1
29 1 15 ILE HA 1 15 ILE HB 2.179 . 2.773 2.502 2.366 2.755 . 0 0 "[ . 1 .]" 1
30 1 15 ILE HA 1 15 ILE MD 1.860 . 2.292 1.913 1.687 2.091 . 0 0 "[ . 1 .]" 1
31 1 15 ILE HA 1 15 ILE QG 3.158 . 4.404 2.791 2.154 2.954 . 0 0 "[ . 1 .]" 1
32 1 15 ILE HA 1 15 ILE MG 2.900 . 3.951 3.156 2.983 3.209 . 0 0 "[ . 1 .]" 1
33 1 15 ILE HA 1 16 VAL H 2.099 . 2.650 2.158 1.980 2.413 . 0 0 "[ . 1 .]" 1
34 1 15 ILE HA 1 16 VAL HB 4.003 . 6.006 4.223 4.126 4.466 . 0 0 "[ . 1 .]" 1
35 1 15 ILE HB 1 15 ILE MD 2.061 . 2.592 2.421 2.287 2.519 . 0 0 "[ . 1 .]" 1
36 1 15 ILE HB 1 15 ILE MG 2.383 . 3.093 2.109 2.102 2.125 . 0 0 "[ . 1 .]" 1
37 1 15 ILE QG 1 16 VAL H 3.231 . 4.536 2.499 2.043 3.136 . 0 0 "[ . 1 .]" 1
38 1 16 VAL H 1 16 VAL HB 1.775 . 2.169 2.294 2.222 2.367 0.198 4 0 "[ . 1 .]" 1
39 1 16 VAL HA 1 16 VAL HB 2.925 . 3.994 2.623 2.548 3.024 . 0 0 "[ . 1 .]" 1
40 1 16 VAL HA 1 17 LEU H 2.100 . 2.651 2.684 2.456 2.842 0.191 5 0 "[ . 1 .]" 1
41 1 16 VAL HA 1 17 LEU QB 2.986 . 4.101 4.119 4.060 4.201 0.100 11 0 "[ . 1 .]" 1
42 1 16 VAL HB 1 16 VAL MG2 2.093 . 2.641 2.124 2.106 2.131 . 0 0 "[ . 1 .]" 1
43 1 17 LEU H 1 17 LEU QB 2.638 . 2.963 2.522 2.315 2.964 0.001 7 0 "[ . 1 .]" 1
44 1 17 LEU H 1 48 TRP QB 3.391 . 4.828 3.873 2.899 4.739 . 0 0 "[ . 1 .]" 1
45 1 17 LEU HA 1 17 LEU QB 2.714 . 3.635 2.361 2.126 2.509 . 0 0 "[ . 1 .]" 1
46 1 17 LEU HA 1 17 LEU MD2 2.781 . 3.748 3.238 1.788 4.076 0.328 5 0 "[ . 1 .]" 1
47 1 17 LEU QB 1 17 LEU MD1 2.858 . 3.763 2.273 2.088 2.434 . 0 0 "[ . 1 .]" 1
48 1 17 LEU QB 1 17 LEU MD2 2.921 . 3.680 2.212 2.080 2.433 . 0 0 "[ . 1 .]" 1
49 1 17 LEU QB 1 19 PRO HA 3.572 . 5.166 4.348 4.006 5.043 . 0 0 "[ . 1 .]" 1
50 1 17 LEU QB 1 19 PRO HD3 2.938 . 3.369 3.119 2.467 3.349 . 0 0 "[ . 1 .]" 1
51 1 19 PRO HA 1 19 PRO HB3 2.531 . 3.332 2.258 2.248 2.268 . 0 0 "[ . 1 .]" 1
52 1 19 PRO HA 1 19 PRO HD3 2.800 . 3.780 3.238 3.185 3.346 . 0 0 "[ . 1 .]" 1
53 1 19 PRO HA 1 21 TRP H 4.500 . 7.032 3.623 3.164 4.063 . 0 0 "[ . 1 .]" 1
54 1 19 PRO HB2 1 20 ASN H 2.767 . 3.724 3.767 3.452 3.844 0.120 4 0 "[ . 1 .]" 1
55 1 19 PRO HD3 1 20 ASN H 3.601 . 5.222 4.350 4.172 4.440 . 0 0 "[ . 1 .]" 1
56 1 19 PRO HG2 1 20 ASN H 2.725 . 3.653 3.362 2.718 3.611 . 0 0 "[ . 1 .]" 1
57 1 20 ASN H 1 20 ASN HA 2.421 . 3.153 2.796 2.756 2.846 . 0 0 "[ . 1 .]" 1
58 1 20 ASN H 1 20 ASN QB 2.971 . 4.074 2.602 2.141 2.893 . 0 0 "[ . 1 .]" 1
59 1 20 ASN H 1 21 TRP H 2.674 . 3.568 2.685 2.498 2.820 . 0 0 "[ . 1 .]" 1
60 1 20 ASN H 1 36 VAL MG2 3.016 . 4.153 4.097 3.984 4.196 0.043 15 0 "[ . 1 .]" 1
61 1 20 ASN HA 1 20 ASN QB 1.984 . 2.476 2.199 2.155 2.397 . 0 0 "[ . 1 .]" 1
62 1 20 ASN HA 1 20 ASN QD 3.667 . 5.348 3.793 3.357 3.989 . 0 0 "[ . 1 .]" 1
63 1 20 ASN HA 1 21 TRP H 2.788 . 3.759 3.459 3.320 3.598 . 0 0 "[ . 1 .]" 1
64 1 20 ASN QB 1 20 ASN QD 2.657 . 3.533 2.244 1.960 2.747 . 0 0 "[ . 1 .]" 1
65 1 20 ASN QB 1 36 VAL H 4.391 . 6.802 3.898 3.468 4.704 . 0 0 "[ . 1 .]" 1
66 1 20 ASN QB 1 36 VAL MG2 2.943 . 3.748 2.228 1.654 3.310 0.207 2 0 "[ . 1 .]" 1
67 1 20 ASN QB 1 37 ILE H 3.190 . 4.462 3.791 3.315 4.494 0.032 2 0 "[ . 1 .]" 1
68 1 20 ASN QB 1 37 ILE MD 3.155 . 4.399 2.352 1.732 3.316 0.179 4 0 "[ . 1 .]" 1
69 1 20 ASN QD 1 21 TRP H 2.766 . 3.722 2.600 1.694 4.368 0.646 14 1 "[ . 1 +.]" 1
70 1 20 ASN QD 1 22 LYS HG2 3.713 . 5.436 5.419 4.960 5.601 0.165 13 0 "[ . 1 .]" 1
71 1 20 ASN QD 1 36 VAL HB 2.738 . 3.675 3.139 1.291 3.684 0.510 14 1 "[ . 1 +.]" 1
72 1 20 ASN QD 1 37 ILE MD 2.557 . 3.375 2.351 1.557 2.941 0.253 2 0 "[ . 1 .]" 1
73 1 21 TRP H 1 21 TRP HA 2.989 . 4.106 2.866 2.794 2.920 . 0 0 "[ . 1 .]" 1
74 1 21 TRP H 1 21 TRP QB 2.252 . 2.886 2.440 2.177 2.648 . 0 0 "[ . 1 .]" 1
75 1 21 TRP H 1 22 LYS H 3.125 . 4.346 4.419 4.371 4.480 0.134 1 0 "[ . 1 .]" 1
76 1 21 TRP H 1 35 HIS HB3 2.903 . 3.957 3.733 3.007 4.314 0.357 2 0 "[ . 1 .]" 1
77 1 21 TRP H 1 36 VAL H 2.768 . 3.726 3.241 2.654 3.846 0.120 1 0 "[ . 1 .]" 1
78 1 21 TRP HA 1 21 TRP QB 3.187 . 4.457 2.331 2.159 2.491 . 0 0 "[ . 1 .]" 1
79 1 21 TRP HA 1 22 LYS H 2.632 . 3.498 2.385 2.097 2.599 . 0 0 "[ . 1 .]" 1
80 1 21 TRP HA 1 22 LYS HA 2.843 . 3.853 4.166 4.002 4.264 0.411 7 0 "[ . 1 .]" 1
81 1 21 TRP QB 1 22 LYS H 2.880 . 3.446 2.439 2.128 2.670 . 0 0 "[ . 1 .]" 1
82 1 21 TRP QB 1 34 TYR HA 2.908 . 3.965 4.147 3.872 4.314 0.349 10 0 "[ . 1 .]" 1
83 1 21 TRP QB 1 35 HIS H 3.195 . 4.471 3.445 3.347 3.610 . 0 0 "[ . 1 .]" 1
84 1 21 TRP QB 1 36 VAL MG2 2.008 . 2.512 2.251 1.539 3.398 0.886 1 1 "[+ . 1 .]" 1
85 1 22 LYS H 1 22 LYS HA 2.966 . 4.065 2.891 2.868 2.914 . 0 0 "[ . 1 .]" 1
86 1 22 LYS H 1 22 LYS HB3 2.756 . 3.705 3.727 3.681 3.766 0.061 11 0 "[ . 1 .]" 1
87 1 22 LYS H 1 22 LYS QD 3.405 . 3.729 3.722 3.655 3.778 0.049 5 0 "[ . 1 .]" 1
88 1 22 LYS H 1 23 THR H 3.224 . 4.523 4.365 4.326 4.396 . 0 0 "[ . 1 .]" 1
89 1 22 LYS H 1 34 TYR H 2.917 . 3.981 3.616 3.219 3.860 . 0 0 "[ . 1 .]" 1
90 1 22 LYS HA 1 22 LYS HB2 2.389 . 3.102 2.999 2.987 3.014 . 0 0 "[ . 1 .]" 1
91 1 22 LYS HA 1 22 LYS HB3 2.669 . 3.559 2.441 2.382 2.510 . 0 0 "[ . 1 .]" 1
92 1 22 LYS HA 1 22 LYS HG2 2.230 . 2.851 3.008 2.961 3.079 0.228 4 0 "[ . 1 .]" 1
93 1 22 LYS HA 1 23 THR HB 2.947 . 4.033 4.831 4.314 5.731 1.698 10 6 "[* ** - +* .]" 1
94 1 22 LYS HB2 1 22 LYS HG2 2.604 . 3.452 2.473 2.425 2.550 . 0 0 "[ . 1 .]" 1
95 1 22 LYS HB2 1 34 TYR H 3.840 . 5.683 4.875 4.334 5.128 . 0 0 "[ . 1 .]" 1
96 1 22 LYS HB3 1 23 THR H 2.721 . 3.647 2.267 2.014 2.500 . 0 0 "[ . 1 .]" 1
97 1 22 LYS HG2 1 23 THR H 5.899 . 10.248 4.749 4.643 4.837 . 0 0 "[ . 1 .]" 1
98 1 22 LYS HG3 1 23 THR H 4.523 . 7.080 4.662 4.354 4.884 . 0 0 "[ . 1 .]" 1
99 1 23 THR H 1 23 THR HB 3.100 . 4.301 3.327 2.908 3.705 . 0 0 "[ . 1 .]" 1
100 1 23 THR H 1 32 TYR HE1 6.019 . 10.547 7.383 6.665 7.727 . 0 0 "[ . 1 .]" 1
101 1 23 THR H 1 33 TYR HA 2.989 . 4.106 4.274 4.024 4.454 0.348 11 0 "[ . 1 .]" 1
102 1 23 THR HA 1 23 THR HB 2.872 . 3.903 2.328 2.225 2.426 . 0 0 "[ . 1 .]" 1
103 1 23 THR HA 1 23 THR MG 3.196 . 4.473 2.843 2.307 3.193 . 0 0 "[ . 1 .]" 1
104 1 23 THR HB 1 23 THR MG 2.459 . 3.215 2.097 2.073 2.124 . 0 0 "[ . 1 .]" 1
105 1 23 THR HB 1 33 TYR H 4.530 . 7.095 4.786 4.248 5.612 . 0 0 "[ . 1 .]" 1
106 1 23 THR HB 1 34 TYR H 3.589 . 5.199 4.465 3.750 5.312 0.113 5 0 "[ . 1 .]" 1
107 1 23 THR MG 1 33 TYR HA 2.809 . 3.795 3.442 2.544 4.445 0.650 7 2 "[ - . + 1 .]" 1
108 1 24 ALA H 1 24 ALA HA 2.880 . 3.917 2.811 2.742 2.929 . 0 0 "[ . 1 .]" 1
109 1 24 ALA H 1 24 ALA MB 3.080 . 4.266 2.843 2.490 2.952 . 0 0 "[ . 1 .]" 1
110 1 24 ALA HA 1 24 ALA MB 2.364 . 3.063 2.125 2.112 2.138 . 0 0 "[ . 1 .]" 1
111 1 24 ALA HA 1 25 ARG H 2.438 . 3.181 2.531 2.273 2.695 . 0 0 "[ . 1 .]" 1
112 1 24 ALA HA 1 25 ARG QB 2.800 . 3.780 3.823 3.464 4.625 0.845 12 3 "[ .- * + .]" 1
113 1 24 ALA HA 1 25 ARG QG 5.618 . 9.564 4.582 2.590 5.659 . 0 0 "[ . 1 .]" 1
114 1 24 ALA HA 1 32 TYR HA 3.917 . 5.835 6.549 5.995 6.969 1.134 5 8 "[ *- +*** ** .]" 1
115 1 24 ALA MB 1 25 ARG H 2.289 . 2.944 2.127 1.790 2.491 . 0 0 "[ . 1 .]" 1
116 1 24 ALA MB 1 25 ARG HA 3.684 . 5.381 4.053 3.989 4.172 . 0 0 "[ . 1 .]" 1
117 1 25 ARG H 1 25 ARG HA 2.614 . 3.468 2.922 2.890 2.937 . 0 0 "[ . 1 .]" 1
118 1 25 ARG H 1 25 ARG QB . . 2.974 2.579 2.209 3.002 0.028 3 0 "[ . 1 .]" 1
119 1 25 ARG H 1 25 ARG QD 3.369 . 4.788 3.767 1.864 4.733 0.086 4 0 "[ . 1 .]" 1
120 1 25 ARG HA 1 25 ARG QB . . 2.958 2.200 2.114 2.428 . 0 0 "[ . 1 .]" 1
121 1 25 ARG HA 1 25 ARG QD 2.938 . 4.017 3.782 2.925 4.093 0.076 3 0 "[ . 1 .]" 1
122 1 25 ARG HA 1 26 ASP H 2.501 . 3.283 2.287 2.193 2.515 . 0 0 "[ . 1 .]" 1
123 1 25 ARG HA 1 32 TYR H 1.981 . 2.472 2.445 2.194 2.831 0.359 1 0 "[ . 1 .]" 1
124 1 25 ARG QB 1 25 ARG QD . . 2.362 2.073 1.871 2.283 . 0 0 "[ . 1 .]" 1
125 1 25 ARG QB 1 26 ASP H 5.009 . 8.145 2.838 2.218 3.447 . 0 0 "[ . 1 .]" 1
126 1 25 ARG QB 1 26 ASP HB2 3.992 . 5.984 5.030 4.271 6.416 0.432 15 0 "[ . 1 .]" 1
127 1 25 ARG QB 1 32 TYR H 2.623 . 3.483 3.351 1.678 4.082 0.599 7 1 "[ . + 1 .]" 1
128 1 25 ARG QD 1 26 ASP H 3.375 . 4.799 4.474 3.461 4.790 . 0 0 "[ . 1 .]" 1
129 1 25 ARG QD 1 31 ILE MG 2.826 . 3.824 3.479 2.685 3.744 . 0 0 "[ . 1 .]" 1
130 1 25 ARG QD 1 32 TYR H 4.148 . 6.298 4.630 2.407 5.672 . 0 0 "[ . 1 .]" 1
131 1 25 ARG QG 1 26 ASP H 3.314 . 4.687 3.044 1.151 4.211 0.790 1 1 "[+ . 1 .]" 1
132 1 26 ASP H 1 26 ASP HA 2.831 . 3.833 2.891 2.795 2.918 . 0 0 "[ . 1 .]" 1
133 1 26 ASP H 1 26 ASP HB2 3.073 . 4.254 2.690 2.457 3.632 . 0 0 "[ . 1 .]" 1
134 1 26 ASP H 1 26 ASP HB3 2.775 . 3.738 3.515 2.747 3.676 . 0 0 "[ . 1 .]" 1
135 1 26 ASP H 1 27 PRO HD2 3.241 . 4.554 4.652 4.389 5.032 0.478 10 0 "[ . 1 .]" 1
136 1 26 ASP H 1 30 LYS H 3.217 . 4.511 3.591 3.205 4.699 0.188 1 0 "[ . 1 .]" 1
137 1 26 ASP H 1 31 ILE H 3.849 . 5.701 4.933 4.696 5.908 0.207 1 0 "[ . 1 .]" 1
138 1 26 ASP HA 1 26 ASP HB2 2.772 . 3.732 2.945 2.429 3.029 . 0 0 "[ . 1 .]" 1
139 1 26 ASP HA 1 26 ASP HB3 2.900 . 3.951 2.433 2.391 2.485 . 0 0 "[ . 1 .]" 1
140 1 26 ASP HA 1 27 PRO HA 3.082 . 4.270 4.343 4.300 4.382 0.112 4 0 "[ . 1 .]" 1
141 1 27 PRO HA 1 27 PRO HB2 2.452 . 3.203 2.796 2.725 2.963 . 0 0 "[ . 1 .]" 1
142 1 27 PRO HA 1 27 PRO HB3 2.396 . 3.114 2.284 2.264 2.302 . 0 0 "[ . 1 .]" 1
143 1 27 PRO HA 1 28 GLU H 4.406 . 6.832 3.438 3.330 3.579 . 0 0 "[ . 1 .]" 1
144 1 27 PRO HA 1 29 GLY H 2.346 . 3.034 3.309 3.262 3.383 0.349 12 0 "[ . 1 .]" 1
145 1 27 PRO HB2 1 27 PRO HD2 2.766 . 3.722 3.755 2.805 4.056 0.334 5 0 "[ . 1 .]" 1
146 1 27 PRO HB2 1 27 PRO HD3 2.704 . 3.618 3.844 3.797 3.904 0.286 10 0 "[ . 1 .]" 1
147 1 27 PRO HB2 1 28 GLU H 3.094 . 4.291 3.421 2.790 3.654 . 0 0 "[ . 1 .]" 1
148 1 27 PRO HB2 1 28 GLU HA 3.845 . 5.693 4.209 3.980 4.331 . 0 0 "[ . 1 .]" 1
149 1 27 PRO HD2 1 28 GLU H 2.616 . 3.472 2.902 2.267 3.323 . 0 0 "[ . 1 .]" 1
150 1 27 PRO HD3 1 28 GLU H 2.960 . 4.055 3.965 3.496 4.177 0.122 15 0 "[ . 1 .]" 1
151 1 28 GLU H 1 28 GLU HA 2.644 . 3.518 2.911 2.897 2.941 . 0 0 "[ . 1 .]" 1
152 1 28 GLU H 1 28 GLU QB 2.618 . 2.668 2.219 2.080 2.717 0.049 12 0 "[ . 1 .]" 1
153 1 28 GLU H 1 29 GLY H 2.408 . 3.133 2.888 2.753 2.974 . 0 0 "[ . 1 .]" 1
154 1 28 GLU H 1 30 LYS H 3.268 . 4.603 3.570 3.318 3.753 . 0 0 "[ . 1 .]" 1
155 1 28 GLU HA 1 28 GLU QB 2.138 . 2.709 2.427 2.128 2.497 . 0 0 "[ . 1 .]" 1
156 1 28 GLU HA 1 29 GLY H 2.254 . 2.889 2.812 2.697 2.886 . 0 0 "[ . 1 .]" 1
157 1 28 GLU QB 1 29 GLY H 3.202 . 3.879 3.715 3.672 3.889 0.010 12 0 "[ . 1 .]" 1
158 1 28 GLU QB 1 30 LYS H 2.636 . 3.504 3.317 3.067 3.706 0.202 12 0 "[ . 1 .]" 1
159 1 29 GLY H 1 29 GLY HA2 2.412 . 3.140 2.299 2.289 2.321 . 0 0 "[ . 1 .]" 1
160 1 29 GLY H 1 30 LYS H 2.742 . 3.682 2.906 2.695 2.997 . 0 0 "[ . 1 .]" 1
161 1 31 ILE H 1 31 ILE HB 2.778 . 3.743 2.579 2.361 2.973 . 0 0 "[ . 1 .]" 1
162 1 31 ILE H 1 31 ILE MD 2.636 . 3.504 2.595 2.122 4.170 0.666 12 1 "[ . 1 + .]" 1
163 1 31 ILE H 1 31 ILE MG 3.041 . 4.197 3.552 1.777 3.756 0.108 12 0 "[ . 1 .]" 1
164 1 31 ILE HA 1 31 ILE MD 1.638 . 1.973 2.107 1.534 2.296 0.323 8 0 "[ . 1 .]" 1
165 1 31 ILE HA 1 31 ILE HG13 3.089 . 4.282 2.826 2.516 3.782 . 0 0 "[ . 1 .]" 1
166 1 31 ILE HA 1 31 ILE MG 1.679 . 2.031 2.365 2.160 3.125 1.094 12 2 "[- . 1 + .]" 1
167 1 31 ILE HB 1 31 ILE MG 2.369 . 3.071 2.127 2.105 2.136 . 0 0 "[ . 1 .]" 1
168 1 31 ILE MD 1 32 TYR H 2.977 . 4.085 3.895 2.223 4.210 0.125 8 0 "[ . 1 .]" 1
169 1 31 ILE MG 1 32 TYR H 3.070 . 4.248 2.463 2.229 4.103 . 0 0 "[ . 1 .]" 1
170 1 32 TYR HA 1 43 TRP HB2 2.912 . 3.972 3.412 2.149 4.008 0.036 2 0 "[ . 1 .]" 1
171 1 32 TYR HA 1 43 TRP HB3 2.489 . 3.263 3.197 1.795 3.885 0.622 15 1 "[ . 1 +]" 1
172 1 32 TYR HB2 1 33 TYR H 2.725 . 3.653 2.102 2.052 2.179 . 0 0 "[ . 1 .]" 1
173 1 32 TYR HB2 1 42 GLN H 3.166 . 4.419 3.523 3.156 3.911 . 0 0 "[ . 1 .]" 1
174 1 32 TYR HE1 1 33 TYR HA 3.595 . 5.210 4.710 4.400 5.022 . 0 0 "[ . 1 .]" 1
175 1 32 TYR HE1 1 34 TYR H 2.874 . 3.907 3.989 3.942 4.121 0.214 9 0 "[ . 1 .]" 1
176 1 32 TYR HE1 1 34 TYR HA 3.787 . 5.580 4.272 4.012 4.678 . 0 0 "[ . 1 .]" 1
177 1 32 TYR HE1 1 34 TYR HB2 2.787 . 3.758 3.508 2.320 3.914 0.156 6 0 "[ . 1 .]" 1
178 1 32 TYR HE1 1 34 TYR HB3 2.833 . 3.836 2.155 1.797 2.577 0.033 4 0 "[ . 1 .]" 1
179 1 33 TYR H 1 33 TYR QB 2.893 . 3.939 2.695 2.243 3.034 . 0 0 "[ . 1 .]" 1
180 1 33 TYR HA 1 33 TYR QB 3.044 . 3.910 2.302 2.198 2.549 . 0 0 "[ . 1 .]" 1
181 1 33 TYR HA 1 34 TYR H 2.622 . 3.481 2.291 2.196 2.358 . 0 0 "[ . 1 .]" 1
182 1 33 TYR HA 1 42 GLN HE21 2.888 . 3.931 4.190 4.040 4.651 0.720 11 1 "[ . 1+ .]" 1
183 1 33 TYR QB 1 34 TYR H 3.524 . 3.991 3.247 2.962 3.792 . 0 0 "[ . 1 .]" 1
184 1 33 TYR QB 1 42 GLN H 2.801 . 3.782 3.515 2.920 3.789 0.007 7 0 "[ . 1 .]" 1
185 1 34 TYR H 1 34 TYR HB2 3.884 . 5.770 3.854 3.590 3.941 . 0 0 "[ . 1 .]" 1
186 1 34 TYR H 1 34 TYR HB3 3.132 . 4.358 3.263 2.638 3.499 . 0 0 "[ . 1 .]" 1
187 1 34 TYR HA 1 34 TYR HB2 2.999 . 4.123 2.448 2.230 2.572 . 0 0 "[ . 1 .]" 1
188 1 34 TYR HA 1 34 TYR HB3 2.602 . 3.448 2.441 2.264 2.940 . 0 0 "[ . 1 .]" 1
189 1 34 TYR HA 1 35 HIS H 2.674 . 3.568 2.199 2.136 2.287 . 0 0 "[ . 1 .]" 1
190 1 34 TYR HA 1 41 THR HA 1.619 . 1.947 1.914 1.831 1.992 0.045 12 0 "[ . 1 .]" 1
191 1 34 TYR HA 1 41 THR MG 4.942 . 7.994 3.916 2.823 4.535 . 0 0 "[ . 1 .]" 1
192 1 34 TYR HA 1 42 GLN H 3.836 . 5.676 3.152 2.925 3.345 . 0 0 "[ . 1 .]" 1
193 1 34 TYR HA 1 42 GLN HE21 3.074 . 4.256 3.586 2.804 4.304 0.048 11 0 "[ . 1 .]" 1
194 1 34 TYR HB2 1 35 HIS H 2.536 . 3.340 2.974 2.721 3.620 0.280 3 0 "[ . 1 .]" 1
195 1 34 TYR HB2 1 41 THR H 3.296 . 4.654 4.780 4.594 5.406 0.752 9 1 "[ . +1 .]" 1
196 1 34 TYR HB2 1 41 THR HA 7.809 . 15.432 3.067 2.615 3.593 . 0 0 "[ . 1 .]" 1
197 1 34 TYR HB2 1 41 THR HB 3.069 . 4.246 3.036 2.199 4.184 . 0 0 "[ . 1 .]" 1
198 1 34 TYR HB2 1 41 THR MG 3.315 . 4.689 3.047 1.098 4.144 0.843 3 1 "[ + . 1 .]" 1
199 1 34 TYR HB3 1 35 HIS H 8.396 . 17.208 3.982 3.568 4.277 . 0 0 "[ . 1 .]" 1
200 1 34 TYR HB3 1 41 THR HA 2.843 . 3.853 2.699 2.250 4.002 0.149 3 0 "[ . 1 .]" 1
201 1 34 TYR HB3 1 41 THR MG 2.985 . 4.099 2.972 1.756 3.748 0.115 11 0 "[ . 1 .]" 1
202 1 35 HIS H 1 41 THR H 3.251 . 4.572 4.642 4.513 4.759 0.187 3 0 "[ . 1 .]" 1
203 1 35 HIS HB2 1 40 GLN HE21 3.747 . 5.502 4.730 3.779 5.770 0.268 8 0 "[ . 1 .]" 1
204 1 35 HIS HB2 1 40 GLN HE22 4.038 . 6.077 5.624 5.498 6.146 0.069 13 0 "[ . 1 .]" 1
205 1 35 HIS HB3 1 36 VAL H 2.321 . 2.994 3.025 2.851 3.104 0.110 1 0 "[ . 1 .]" 1
206 1 36 VAL H 1 37 ILE H 2.792 . 3.766 2.676 2.519 2.863 . 0 0 "[ . 1 .]" 1
207 1 36 VAL H 1 37 ILE MD 3.033 . 4.183 3.589 3.132 4.089 . 0 0 "[ . 1 .]" 1
208 1 36 VAL HA 1 36 VAL HB 2.622 . 3.481 2.749 2.615 2.974 . 0 0 "[ . 1 .]" 1
209 1 36 VAL HA 1 36 VAL MG2 2.424 . 3.158 2.962 2.382 3.112 . 0 0 "[ . 1 .]" 1
210 1 36 VAL HA 1 37 ILE H 3.214 . 4.505 3.599 3.561 3.666 . 0 0 "[ . 1 .]" 1
211 1 36 VAL HB 1 36 VAL MG2 2.116 . 2.676 2.096 2.078 2.145 . 0 0 "[ . 1 .]" 1
212 1 37 ILE H 1 37 ILE HA 2.775 . 3.738 2.782 2.725 2.813 . 0 0 "[ . 1 .]" 1
213 1 37 ILE H 1 37 ILE HB 2.536 . 3.340 2.420 2.301 2.871 . 0 0 "[ . 1 .]" 1
214 1 37 ILE H 1 37 ILE MD 2.268 . 2.911 1.872 1.542 2.268 0.083 5 0 "[ . 1 .]" 1
215 1 37 ILE H 1 37 ILE HG12 2.595 . 3.436 3.474 1.794 3.768 0.332 5 0 "[ . 1 .]" 1
216 1 37 ILE H 1 37 ILE HG13 2.730 . 3.661 3.706 3.301 3.893 0.232 8 0 "[ . 1 .]" 1
217 1 37 ILE H 1 39 ARG H 3.136 . 4.365 3.855 3.696 4.057 . 0 0 "[ . 1 .]" 1
218 1 37 ILE HB 1 37 ILE MD 2.666 . 3.555 2.629 2.361 3.199 . 0 0 "[ . 1 .]" 1
219 1 37 ILE HB 1 37 ILE HG12 2.991 . 4.109 2.332 2.264 2.425 . 0 0 "[ . 1 .]" 1
220 1 37 ILE HB 1 38 THR H 2.642 . 3.515 2.216 1.890 2.391 . 0 0 "[ . 1 .]" 1
221 1 37 ILE HG12 1 38 THR H 2.914 . 3.976 4.457 3.455 4.696 0.720 7 6 "[- * . + 1* * *]" 1
222 1 38 THR H 1 38 THR HB 2.964 . 4.062 3.562 3.500 3.608 . 0 0 "[ . 1 .]" 1
223 1 38 THR H 1 38 THR MG 2.268 . 2.911 2.678 2.470 2.830 . 0 0 "[ . 1 .]" 1
224 1 38 THR H 1 39 ARG H 2.639 . 3.510 2.482 2.398 2.603 . 0 0 "[ . 1 .]" 1
225 1 38 THR H 1 40 GLN H 3.239 . 4.551 4.365 4.229 4.545 . 0 0 "[ . 1 .]" 1
226 1 38 THR HA 1 39 ARG H 2.483 . 3.253 3.367 3.346 3.391 0.138 14 0 "[ . 1 .]" 1
227 1 39 ARG H 1 39 ARG HA 2.725 . 3.653 2.260 2.249 2.269 . 0 0 "[ . 1 .]" 1
228 1 39 ARG H 1 39 ARG HD3 2.923 . 3.991 4.026 2.822 4.935 0.944 9 7 "[* **. +1-* *.]" 1
229 1 39 ARG H 1 40 GLN H 2.649 . 3.526 2.669 2.582 2.867 . 0 0 "[ . 1 .]" 1
230 1 39 ARG H 1 40 GLN HG2 3.313 . 4.685 4.795 3.689 4.922 0.237 11 0 "[ . 1 .]" 1
231 1 39 ARG H 1 40 GLN HG3 3.061 . 4.232 3.615 3.340 4.633 0.401 5 0 "[ . 1 .]" 1
232 1 39 ARG HA 1 39 ARG HB3 2.916 . 3.979 2.560 2.444 2.970 . 0 0 "[ . 1 .]" 1
233 1 39 ARG HA 1 39 ARG HD3 2.861 . 3.884 3.602 2.478 4.371 0.487 11 0 "[ . 1 .]" 1
234 1 39 ARG HA 1 40 GLN H 3.186 . 4.455 2.680 2.531 2.808 . 0 0 "[ . 1 .]" 1
235 1 39 ARG HB3 1 39 ARG HD3 2.997 . 4.120 3.506 2.690 3.692 . 0 0 "[ . 1 .]" 1
236 1 40 GLN H 1 40 GLN HA 2.797 . 3.775 2.940 2.901 2.948 . 0 0 "[ . 1 .]" 1
237 1 40 GLN H 1 40 GLN HG2 2.999 . 4.123 3.515 2.490 3.682 . 0 0 "[ . 1 .]" 1
238 1 40 GLN H 1 40 GLN HG3 2.925 . 3.994 2.611 2.442 2.793 . 0 0 "[ . 1 .]" 1
239 1 40 GLN HA 1 40 GLN HG2 2.735 . 3.670 2.705 2.547 3.514 . 0 0 "[ . 1 .]" 1
240 1 40 GLN HA 1 40 GLN HG3 2.530 . 3.330 3.341 3.209 3.727 0.397 5 0 "[ . 1 .]" 1
241 1 40 GLN HA 1 41 THR H 2.316 . 2.986 2.291 2.205 2.396 . 0 0 "[ . 1 .]" 1
242 1 40 GLN HB2 1 40 GLN HE22 3.189 . 4.460 4.266 3.430 4.627 0.167 1 0 "[ . 1 .]" 1
243 1 40 GLN HB3 1 41 THR H 2.563 . 3.384 2.680 2.516 3.509 0.125 5 0 "[ . 1 .]" 1
244 1 40 GLN HE21 1 40 GLN HG2 2.735 . 3.670 2.930 2.253 3.420 . 0 0 "[ . 1 .]" 1
245 1 40 GLN HE21 1 40 GLN HG3 3.373 . 4.795 2.469 2.160 3.469 . 0 0 "[ . 1 .]" 1
246 1 40 GLN HE22 1 40 GLN HG2 2.667 . 3.556 3.780 3.488 3.990 0.434 2 0 "[ . 1 .]" 1
247 1 40 GLN HE22 1 40 GLN HG3 2.867 . 3.894 3.569 3.418 4.042 0.148 8 0 "[ . 1 .]" 1
248 1 40 GLN HE22 1 41 THR H 4.734 . 7.536 6.942 6.253 7.213 . 0 0 "[ . 1 .]" 1
249 1 41 THR H 1 41 THR HB 2.725 . 3.653 3.642 3.289 3.862 0.209 4 0 "[ . 1 .]" 1
250 1 41 THR H 1 41 THR MG 2.808 . 3.794 2.447 2.061 2.858 . 0 0 "[ . 1 .]" 1
251 1 41 THR HA 1 41 THR HB 2.938 . 4.017 2.340 2.253 2.445 . 0 0 "[ . 1 .]" 1
252 1 41 THR HA 1 41 THR MG 2.850 . 3.865 2.898 2.405 3.211 . 0 0 "[ . 1 .]" 1
253 1 41 THR HA 1 42 GLN H 2.674 . 3.568 2.194 2.148 2.266 . 0 0 "[ . 1 .]" 1
254 1 41 THR HA 1 42 GLN HE21 3.485 . 5.003 3.618 2.763 4.236 . 0 0 "[ . 1 .]" 1
255 1 41 THR HB 1 42 GLN H 3.116 . 4.330 3.624 2.864 4.184 . 0 0 "[ . 1 .]" 1
256 1 41 THR HB 1 42 GLN HE21 3.682 . 5.377 5.326 4.496 5.541 0.164 6 0 "[ . 1 .]" 1
257 1 42 GLN H 1 42 GLN HB2 2.861 . 3.884 3.713 3.356 3.943 0.059 10 0 "[ . 1 .]" 1
258 1 42 GLN H 1 42 GLN HE21 2.877 . 3.911 2.076 1.804 2.541 0.039 6 0 "[ . 1 .]" 1
259 1 42 GLN HB2 1 42 GLN HE21 2.653 . 3.533 3.458 2.327 4.246 0.713 8 1 "[ . + 1 .]" 1
260 1 43 TRP H 1 43 TRP HB2 3.012 . 4.146 3.597 2.844 3.724 . 0 0 "[ . 1 .]" 1
261 1 43 TRP H 1 43 TRP HB3 3.150 . 4.390 2.920 2.558 3.115 . 0 0 "[ . 1 .]" 1
262 1 43 TRP H 1 44 ASP H 2.802 . 3.783 2.275 2.103 2.596 . 0 0 "[ . 1 .]" 1
263 1 43 TRP H 1 44 ASP HA 3.598 . 5.216 4.932 4.749 5.084 . 0 0 "[ . 1 .]" 1
264 1 43 TRP HB2 1 44 ASP H 2.867 . 3.894 3.845 3.451 4.116 0.222 15 0 "[ . 1 .]" 1
265 1 43 TRP HB3 1 44 ASP H 3.068 . 4.244 4.087 3.081 4.278 0.034 2 0 "[ . 1 .]" 1
266 1 44 ASP H 1 44 ASP HB2 3.575 . 5.173 2.937 2.390 3.694 . 0 0 "[ . 1 .]" 1
267 1 44 ASP H 1 44 ASP HB3 2.632 . 3.498 2.613 2.389 3.630 0.132 14 0 "[ . 1 .]" 1
268 1 44 ASP HA 1 44 ASP HB2 2.664 . 3.551 2.460 2.362 3.007 . 0 0 "[ . 1 .]" 1
269 1 44 ASP HA 1 44 ASP HB3 2.760 . 3.712 2.944 2.395 3.020 . 0 0 "[ . 1 .]" 1
270 1 46 PRO HA 1 46 PRO HB2 2.551 . 3.364 2.679 2.635 2.850 . 0 0 "[ . 1 .]" 1
271 1 46 PRO HA 1 46 PRO HB3 2.571 . 3.397 2.327 2.256 2.355 . 0 0 "[ . 1 .]" 1
272 1 46 PRO HA 1 46 PRO HG2 3.549 . 5.124 3.827 3.746 4.082 . 0 0 "[ . 1 .]" 1
273 1 46 PRO HA 1 47 THR H 2.309 . 2.975 2.247 2.156 2.316 . 0 0 "[ . 1 .]" 1
274 1 46 PRO HA 1 47 THR MG 3.580 . 5.182 4.224 3.680 5.491 0.309 13 0 "[ . 1 .]" 1
275 1 46 PRO HB2 1 46 PRO HD3 3.888 . 5.777 3.928 3.840 4.028 . 0 0 "[ . 1 .]" 1
276 1 46 PRO HB2 1 46 PRO HG2 2.470 . 3.232 2.332 2.259 2.375 . 0 0 "[ . 1 .]" 1
277 1 46 PRO HB2 1 47 THR H 2.943 . 4.025 3.077 2.820 3.529 . 0 0 "[ . 1 .]" 1
278 1 46 PRO HB3 1 46 PRO HD2 2.934 . 4.010 3.841 3.770 3.946 . 0 0 "[ . 1 .]" 1
279 1 46 PRO HB3 1 46 PRO HD3 3.124 . 4.344 3.016 2.771 3.906 . 0 0 "[ . 1 .]" 1
280 1 46 PRO HB3 1 47 THR H 3.041 . 4.197 3.806 3.590 4.051 . 0 0 "[ . 1 .]" 1
281 1 46 PRO HD2 1 46 PRO HG2 1.881 . 2.323 2.308 2.281 2.330 0.007 3 0 "[ . 1 .]" 1
282 1 46 PRO HD2 1 46 PRO HG3 2.966 . 4.065 2.739 2.673 2.968 . 0 0 "[ . 1 .]" 1
283 1 46 PRO HD3 1 46 PRO HG2 2.649 . 3.526 2.970 2.734 3.010 . 0 0 "[ . 1 .]" 1
284 1 46 PRO HD3 1 46 PRO HG3 2.752 . 3.699 2.306 2.282 2.332 . 0 0 "[ . 1 .]" 1
285 1 46 PRO HG2 1 48 TRP QB 3.084 . 4.273 4.151 2.752 4.444 0.171 5 0 "[ . 1 .]" 1
286 1 46 PRO HG3 1 48 TRP QB 3.980 . 5.960 5.420 3.709 5.808 . 0 0 "[ . 1 .]" 1
287 1 47 THR H 1 47 THR HB 2.478 . 3.246 2.837 2.372 3.388 0.142 2 0 "[ . 1 .]" 1
288 1 47 THR H 1 47 THR MG 2.583 . 3.417 2.479 1.934 3.672 0.255 13 0 "[ . 1 .]" 1
289 1 47 THR H 1 48 TRP H 3.018 . 4.156 3.828 2.474 4.468 0.312 1 0 "[ . 1 .]" 1
290 1 47 THR HA 1 48 TRP H 2.051 . 2.577 2.295 2.002 2.869 0.292 7 0 "[ . 1 .]" 1
291 1 47 THR HA 1 48 TRP QB 2.980 . 4.090 4.055 3.818 4.780 0.690 7 2 "[ . + -1 .]" 1
292 1 47 THR HB 1 47 THR MG 2.310 . 2.977 2.109 2.087 2.131 . 0 0 "[ . 1 .]" 1
293 1 47 THR MG 1 48 TRP H 2.592 . 3.432 3.440 3.194 3.664 0.232 8 0 "[ . 1 .]" 1
294 1 48 TRP H 1 48 TRP QB 2.445 . 3.192 2.204 1.913 2.404 . 0 0 "[ . 1 .]" 1
295 1 48 TRP H 1 49 GLU H 2.725 . 3.653 2.349 2.146 2.768 . 0 0 "[ . 1 .]" 1
296 1 48 TRP HA 1 48 TRP QB 2.546 . 3.114 2.368 2.145 2.528 . 0 0 "[ . 1 .]" 1
297 1 48 TRP HA 1 49 GLU H 2.498 . 3.278 3.391 3.314 3.472 0.194 6 0 "[ . 1 .]" 1
298 1 48 TRP HA 1 49 GLU QB 3.458 . 4.953 4.926 4.786 5.036 0.083 5 0 "[ . 1 .]" 1
299 1 48 TRP QB 1 48 TRP HE1 3.864 . 4.699 4.397 4.298 4.473 . 0 0 "[ . 1 .]" 1
300 1 48 TRP QB 1 49 GLU H 2.811 . 3.799 2.951 2.332 3.500 . 0 0 "[ . 1 .]" 1
301 1 49 GLU H 1 49 GLU HA 2.439 . 3.183 2.903 2.885 2.929 . 0 0 "[ . 1 .]" 1
302 1 49 GLU HA 1 49 GLU QG 2.539 . 3.345 2.756 2.140 3.400 0.055 2 0 "[ . 1 .]" 1
303 1 49 GLU QB 1 50 SER H 1.873 . 2.311 2.466 2.423 2.524 0.213 4 0 "[ . 1 .]" 1
304 1 49 GLU QG 1 50 SER H 2.673 . 3.566 3.343 3.044 3.495 . 0 0 "[ . 1 .]" 1
305 1 51 PRO HA 1 52 GLY H 2.478 . 3.246 3.074 2.774 3.372 0.126 4 0 "[ . 1 .]" 1
306 1 51 PRO HB3 1 52 GLY H 3.217 . 4.511 2.546 2.355 3.103 . 0 0 "[ . 1 .]" 1
307 1 51 PRO HD2 1 52 GLY H 2.995 . 4.116 4.076 3.102 4.406 0.290 10 0 "[ . 1 .]" 1
308 1 52 GLY H 1 52 GLY HA2 2.916 . 3.979 2.838 2.800 2.864 . 0 0 "[ . 1 .]" 1
309 1 52 GLY HA2 1 53 ASP H 3.175 . 4.435 3.466 3.432 3.541 . 0 0 "[ . 1 .]" 1
310 1 53 ASP HB3 1 54 ASP H 3.077 . 4.261 3.379 2.660 4.066 . 0 0 "[ . 1 .]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 12:45:00 PM GMT (wattos1)