NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
645166 |
6nk9   |
30555 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6nk9
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 338
_Distance_constraint_stats_list.Viol_count 242
_Distance_constraint_stats_list.Viol_total 233.575
_Distance_constraint_stats_list.Viol_max 0.799
_Distance_constraint_stats_list.Viol_rms 0.0471
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0069
_Distance_constraint_stats_list.Viol_average_violations_only 0.0965
_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 CYS 1.777 0.158 4 0 "[ . 1]"
1 2 GLY 2.072 0.180 7 0 "[ . 1]"
1 3 GLY 0.968 0.224 9 0 "[ . 1]"
1 4 ALA 0.587 0.142 2 0 "[ . 1]"
1 5 GLY 0.199 0.109 1 0 "[ . 1]"
1 6 ALA 0.551 0.089 6 0 "[ . 1]"
1 7 LYS 3.279 0.659 7 2 "[ . +- 1]"
1 8 CYS 3.097 0.617 8 2 "[ - . + 1]"
1 9 SER 2.299 0.799 6 2 "[ .+- 1]"
1 10 THR 2.167 0.799 6 2 "[ .+- 1]"
1 11 LYS 1.245 0.181 3 0 "[ . 1]"
1 12 SER 0.000 0.000 . 0 "[ . 1]"
1 13 ASP 2.153 0.617 8 2 "[ - . + 1]"
1 14 CYS 1.844 0.180 7 0 "[ . 1]"
1 15 CYS 0.355 0.158 4 0 "[ . 1]"
1 16 SER 0.464 0.158 4 0 "[ . 1]"
1 17 GLY 0.184 0.076 9 0 "[ . 1]"
1 18 LEU 0.850 0.080 2 0 "[ . 1]"
1 19 TRP 1.563 0.434 5 0 "[ . 1]"
1 20 CYS 0.365 0.292 5 0 "[ . 1]"
1 21 SER 0.244 0.136 10 0 "[ . 1]"
1 23 SER 2.458 0.607 5 4 "[ *+ -* 1]"
1 24 GLY 0.013 0.013 4 0 "[ . 1]"
1 25 HIS 1.538 0.225 5 0 "[ . 1]"
1 26 CYS 1.177 0.225 5 0 "[ . 1]"
1 27 TYR 0.509 0.136 10 0 "[ . 1]"
1 28 HIS 0.262 0.142 2 0 "[ . 1]"
1 29 ARG 0.644 0.129 10 0 "[ . 1]"
1 30 ARG 3.101 0.690 1 2 "[+ . -1]"
1 31 TYR 2.540 0.690 1 2 "[+ . -1]"
1 32 THR 0.383 0.251 1 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 1 CYS HA 1 1 CYS HB2 2.257 . 2.894 2.929 2.410 3.002 0.108 7 0 "[ . 1]" 1
2 1 1 CYS HA 1 1 CYS HB3 2.237 . 2.862 2.579 2.514 2.698 . 0 0 "[ . 1]" 1
3 1 1 CYS HA 1 2 GLY H 2.337 . 3.019 2.495 2.169 2.752 . 0 0 "[ . 1]" 1
4 1 1 CYS HA 1 2 GLY QA 3.334 . 4.723 3.928 3.872 3.970 . 0 0 "[ . 1]" 1
5 1 1 CYS HA 1 2 GLY HA3 3.179 . 4.442 4.394 4.237 4.571 0.129 4 0 "[ . 1]" 1
6 1 1 CYS HB2 1 2 GLY H 2.982 . 4.093 3.459 2.264 4.099 0.006 7 0 "[ . 1]" 1
7 1 1 CYS HB2 1 2 GLY HA2 4.109 . 6.219 5.091 4.766 5.578 . 0 0 "[ . 1]" 1
8 1 1 CYS HB3 1 2 GLY H 2.787 . 3.758 2.389 1.785 3.718 0.031 8 0 "[ . 1]" 1
9 1 1 CYS HB3 1 14 CYS HA 3.708 . 5.427 3.142 2.359 4.012 . 0 0 "[ . 1]" 1
10 1 1 CYS HB3 1 15 CYS H 2.799 . 3.779 2.531 1.818 3.937 0.158 4 0 "[ . 1]" 1
11 1 1 CYS HB3 1 16 SER H 3.878 . 5.758 5.756 5.271 5.916 0.158 4 0 "[ . 1]" 1
12 1 2 GLY H 1 2 GLY HA2 2.762 . 3.716 2.843 2.691 2.946 . 0 0 "[ . 1]" 1
13 1 2 GLY H 1 2 GLY QA 2.558 . 3.376 2.299 2.166 2.474 . 0 0 "[ . 1]" 1
14 1 2 GLY H 1 2 GLY HA3 2.329 . 3.007 2.436 2.263 2.711 . 0 0 "[ . 1]" 1
15 1 2 GLY H 1 3 GLY H 2.975 . 4.081 3.727 2.960 4.194 0.113 2 0 "[ . 1]" 1
16 1 2 GLY H 1 6 ALA MB 3.581 . 5.184 4.611 4.389 4.860 . 0 0 "[ . 1]" 1
17 1 2 GLY H 1 14 CYS HA 2.179 . 2.773 1.801 1.574 2.259 0.011 3 0 "[ . 1]" 1
18 1 2 GLY H 1 15 CYS H 3.058 . 4.227 2.891 2.039 3.815 . 0 0 "[ . 1]" 1
19 1 2 GLY HA2 1 6 ALA MB 2.464 . 3.223 2.969 2.650 3.312 0.089 6 0 "[ . 1]" 1
20 1 2 GLY HA2 1 14 CYS HA 2.906 . 3.961 3.847 3.562 4.018 0.057 7 0 "[ . 1]" 1
21 1 2 GLY HA3 1 3 GLY H 2.497 . 3.276 2.477 2.131 3.236 . 0 0 "[ . 1]" 1
22 1 2 GLY HA3 1 6 ALA MB 2.365 . 3.064 2.686 2.528 2.985 . 0 0 "[ . 1]" 1
23 1 2 GLY HA3 1 14 CYS HA 2.479 . 3.247 2.695 2.196 3.028 . 0 0 "[ . 1]" 1
24 1 2 GLY HA3 1 14 CYS HB2 3.011 . 4.144 4.270 4.228 4.324 0.180 7 0 "[ . 1]" 1
25 1 2 GLY HA3 1 15 CYS H 3.469 . 4.974 4.355 3.812 4.898 . 0 0 "[ . 1]" 1
26 1 3 GLY H 1 3 GLY HA2 2.132 . 2.700 2.691 2.516 2.924 0.224 9 0 "[ . 1]" 1
27 1 3 GLY H 1 3 GLY HA3 2.289 . 2.944 2.746 2.307 2.949 0.005 5 0 "[ . 1]" 1
28 1 3 GLY H 1 6 ALA MB 2.611 . 3.463 2.532 2.059 2.965 . 0 0 "[ . 1]" 1
29 1 3 GLY H 1 18 LEU QD 3.963 . 5.926 3.773 2.558 4.296 . 0 0 "[ . 1]" 1
30 1 3 GLY HA2 1 4 ALA H 2.459 . 3.215 2.618 2.465 2.822 . 0 0 "[ . 1]" 1
31 1 3 GLY HA2 1 18 LEU QD 2.598 . 3.442 2.323 1.871 2.468 0.053 2 0 "[ . 1]" 1
32 1 3 GLY HA3 1 4 ALA H 2.353 . 3.045 2.526 2.351 2.676 . 0 0 "[ . 1]" 1
33 1 3 GLY HA3 1 4 ALA H 2.199 . 2.803 2.360 2.248 2.455 . 0 0 "[ . 1]" 1
34 1 3 GLY HA3 1 18 LEU QD 2.736 . 3.672 2.749 2.448 2.888 . 0 0 "[ . 1]" 1
35 1 3 GLY HA3 1 18 LEU QD 3.074 . 4.255 3.609 3.343 3.775 . 0 0 "[ . 1]" 1
36 1 4 ALA H 1 4 ALA HA 2.311 . 2.978 2.842 2.810 2.861 . 0 0 "[ . 1]" 1
37 1 4 ALA H 1 4 ALA MB 2.190 . 2.789 2.248 2.235 2.264 . 0 0 "[ . 1]" 1
38 1 4 ALA H 1 5 GLY H 3.766 . 5.539 4.457 4.353 4.569 . 0 0 "[ . 1]" 1
39 1 4 ALA H 1 18 LEU QD 2.880 . 3.917 2.957 2.722 3.182 . 0 0 "[ . 1]" 1
40 1 4 ALA HA 1 4 ALA MB 1.955 . 2.433 2.129 2.124 2.131 . 0 0 "[ . 1]" 1
41 1 4 ALA HA 1 5 GLY H 1.858 . 2.289 2.137 2.118 2.164 . 0 0 "[ . 1]" 1
42 1 4 ALA HA 1 5 GLY H 2.070 . 2.606 1.956 1.935 1.980 . 0 0 "[ . 1]" 1
43 1 4 ALA HA 1 18 LEU HB2 6.260 . 11.158 5.237 4.733 5.793 . 0 0 "[ . 1]" 1
44 1 4 ALA HA 1 18 LEU QD 2.410 . 3.136 2.862 2.484 3.080 . 0 0 "[ . 1]" 1
45 1 4 ALA HA 1 26 CYS HB2 2.641 . 3.513 3.521 3.440 3.579 0.066 2 0 "[ . 1]" 1
46 1 4 ALA HA 1 26 CYS HB3 2.998 . 4.121 3.890 3.690 4.126 0.005 3 0 "[ . 1]" 1
47 1 4 ALA HA 1 27 TYR HA 2.706 . 3.622 3.052 2.389 3.373 . 0 0 "[ . 1]" 1
48 1 4 ALA HA 1 28 HIS HA 3.407 . 4.858 4.786 4.240 5.000 0.142 2 0 "[ . 1]" 1
49 1 4 ALA MB 1 5 GLY H 2.870 . 3.900 3.225 3.004 3.378 . 0 0 "[ . 1]" 1
50 1 4 ALA MB 1 18 LEU QD 2.671 . 3.563 2.434 2.279 2.641 . 0 0 "[ . 1]" 1
51 1 4 ALA MB 1 27 TYR HA 2.705 . 3.619 3.268 2.473 3.660 0.041 7 0 "[ . 1]" 1
52 1 5 GLY H 1 5 GLY QA 2.500 . 3.282 2.269 2.238 2.302 . 0 0 "[ . 1]" 1
53 1 5 GLY H 1 6 ALA H 2.568 . 3.392 2.389 2.212 2.502 . 0 0 "[ . 1]" 1
54 1 5 GLY H 1 18 LEU QD 4.028 . 6.056 4.502 4.020 4.761 . 0 0 "[ . 1]" 1
55 1 5 GLY H 1 25 HIS HB3 3.393 . 4.832 3.533 3.306 4.067 . 0 0 "[ . 1]" 1
56 1 5 GLY H 1 26 CYS HB2 3.044 . 4.202 3.348 3.104 3.502 . 0 0 "[ . 1]" 1
57 1 5 GLY H 1 27 TYR HA 3.321 . 4.700 3.306 3.092 3.493 . 0 0 "[ . 1]" 1
58 1 5 GLY QA 1 6 ALA H 2.948 . 3.704 2.911 2.884 2.924 . 0 0 "[ . 1]" 1
59 1 5 GLY QA 1 25 HIS HB3 2.835 . 3.840 2.801 2.366 3.949 0.109 1 0 "[ . 1]" 1
60 1 5 GLY QA 1 26 CYS H 3.568 . 5.159 4.188 3.960 4.512 . 0 0 "[ . 1]" 1
61 1 6 ALA H 1 6 ALA HA 2.646 . 3.521 2.881 2.821 2.918 . 0 0 "[ . 1]" 1
62 1 6 ALA H 1 6 ALA MB 2.005 . 2.508 2.268 2.243 2.298 . 0 0 "[ . 1]" 1
63 1 6 ALA H 1 26 CYS H 3.234 . 4.541 3.267 3.053 3.712 . 0 0 "[ . 1]" 1
64 1 6 ALA H 1 26 CYS HB2 2.694 . 3.601 2.929 2.864 3.056 . 0 0 "[ . 1]" 1
65 1 6 ALA H 1 26 CYS HB3 3.218 . 4.513 4.550 4.423 4.574 0.061 5 0 "[ . 1]" 1
66 1 6 ALA HA 1 6 ALA MB 1.903 . 2.356 2.130 2.126 2.133 . 0 0 "[ . 1]" 1
67 1 6 ALA HA 1 7 LYS H 1.852 . 2.281 2.216 2.171 2.286 0.005 7 0 "[ . 1]" 1
68 1 6 ALA HA 1 7 LYS QG 2.993 . 4.113 3.833 3.535 3.964 . 0 0 "[ . 1]" 1
69 1 6 ALA HA 1 26 CYS H 4.661 . 7.377 4.642 4.537 4.751 . 0 0 "[ . 1]" 1
70 1 6 ALA MB 1 7 LYS H 2.413 . 3.141 2.854 2.683 3.011 . 0 0 "[ . 1]" 1
71 1 6 ALA MB 1 26 CYS H 3.411 . 4.866 3.480 3.310 3.670 . 0 0 "[ . 1]" 1
72 1 6 ALA MB 1 26 CYS HB2 2.823 . 3.819 2.833 2.586 3.178 . 0 0 "[ . 1]" 1
73 1 6 ALA MB 1 26 CYS HB3 4.078 . 6.156 4.260 3.914 4.625 . 0 0 "[ . 1]" 1
74 1 7 LYS H 1 7 LYS HA 2.761 . 3.714 2.843 2.783 2.873 . 0 0 "[ . 1]" 1
75 1 7 LYS H 1 7 LYS HB3 2.285 . 2.938 2.852 2.626 3.597 0.659 7 2 "[ . +- 1]" 1
76 1 7 LYS HA 1 7 LYS QB 2.103 . 2.656 2.215 2.165 2.393 . 0 0 "[ . 1]" 1
77 1 7 LYS HA 1 7 LYS HB3 2.408 . 3.133 2.427 2.375 2.507 . 0 0 "[ . 1]" 1
78 1 7 LYS HA 1 7 LYS QD 3.098 . 4.298 4.284 4.033 4.441 0.143 6 0 "[ . 1]" 1
79 1 7 LYS HA 1 8 CYS H 1.937 . 2.406 2.207 2.166 2.261 . 0 0 "[ . 1]" 1
80 1 7 LYS HA 1 8 CYS QB 3.319 . 4.696 4.257 4.157 4.318 . 0 0 "[ . 1]" 1
81 1 7 LYS HA 1 25 HIS H 3.606 . 5.231 4.413 4.185 4.644 . 0 0 "[ . 1]" 1
82 1 7 LYS HA 1 25 HIS HA 1.964 . 2.446 2.441 2.197 2.553 0.107 8 0 "[ . 1]" 1
83 1 7 LYS HA 1 25 HIS QB 3.187 . 4.456 3.801 2.462 4.239 . 0 0 "[ . 1]" 1
84 1 7 LYS HA 1 25 HIS HD2 3.092 . 4.287 3.108 2.273 4.339 0.052 1 0 "[ . 1]" 1
85 1 7 LYS HA 1 26 CYS H 3.396 . 4.837 3.946 3.743 4.103 . 0 0 "[ . 1]" 1
86 1 7 LYS QB 1 8 CYS HA 4.086 . 6.173 4.302 4.085 4.397 . 0 0 "[ . 1]" 1
87 1 7 LYS QB 1 25 HIS HA 3.284 . 4.632 4.290 4.017 4.607 . 0 0 "[ . 1]" 1
88 1 7 LYS HB2 1 8 CYS H 2.724 . 3.651 3.176 2.817 4.129 0.478 8 0 "[ . 1]" 1
89 1 7 LYS QD 1 7 LYS QG 1.919 . 2.379 2.059 2.003 2.092 . 0 0 "[ . 1]" 1
90 1 7 LYS QG 1 8 CYS H 3.315 . 4.689 4.029 3.890 4.182 . 0 0 "[ . 1]" 1
91 1 8 CYS H 1 8 CYS HA 2.908 . 3.965 2.919 2.898 2.934 . 0 0 "[ . 1]" 1
92 1 8 CYS H 1 8 CYS QB 3.340 . 4.616 3.168 3.093 3.235 . 0 0 "[ . 1]" 1
93 1 8 CYS H 1 13 ASP QB 4.020 . 6.041 5.201 4.606 5.729 . 0 0 "[ . 1]" 1
94 1 8 CYS H 1 24 GLY HA2 3.349 . 4.751 3.727 3.225 4.038 . 0 0 "[ . 1]" 1
95 1 8 CYS H 1 24 GLY HA3 3.454 . 4.945 4.411 3.423 4.958 0.013 4 0 "[ . 1]" 1
96 1 8 CYS H 1 25 HIS HA 2.535 . 3.338 3.103 2.681 3.350 0.012 4 0 "[ . 1]" 1
97 1 8 CYS H 1 26 CYS H 3.945 . 5.891 4.477 4.034 4.755 . 0 0 "[ . 1]" 1
98 1 8 CYS HA 1 8 CYS QB 2.470 . 3.175 2.186 2.178 2.189 . 0 0 "[ . 1]" 1
99 1 8 CYS HA 1 9 SER H 2.446 . 3.194 2.249 2.187 2.312 . 0 0 "[ . 1]" 1
100 1 8 CYS QB 1 9 SER H 2.954 . 4.045 2.791 2.595 3.042 . 0 0 "[ . 1]" 1
101 1 8 CYS QB 1 9 SER HA 3.828 . 5.660 4.287 4.188 4.378 . 0 0 "[ . 1]" 1
102 1 8 CYS QB 1 9 SER HA 3.304 . 4.669 4.057 3.994 4.163 . 0 0 "[ . 1]" 1
103 1 8 CYS QB 1 10 THR H 3.149 . 4.389 2.875 2.607 3.136 . 0 0 "[ . 1]" 1
104 1 8 CYS QB 1 13 ASP H 3.481 . 4.996 3.905 3.605 4.167 . 0 0 "[ . 1]" 1
105 1 8 CYS QB 1 13 ASP HB2 2.259 . 2.897 2.739 2.139 3.514 0.617 8 2 "[ - . + 1]" 1
106 1 8 CYS QB 1 20 CYS HB2 3.282 . 4.628 2.762 2.535 2.964 . 0 0 "[ . 1]" 1
107 1 8 CYS QB 1 26 CYS H 4.175 . 6.354 3.723 3.279 4.072 . 0 0 "[ . 1]" 1
108 1 9 SER H 1 9 SER HA 2.849 . 3.864 2.939 2.921 2.950 . 0 0 "[ . 1]" 1
109 1 9 SER H 1 9 SER HB3 2.722 . 3.648 3.376 2.539 3.755 0.107 4 0 "[ . 1]" 1
110 1 9 SER H 1 10 THR H 2.427 . 3.163 1.914 1.721 2.063 . 0 0 "[ . 1]" 1
111 1 9 SER H 1 10 THR HA 3.314 . 4.687 4.630 4.497 4.748 0.061 2 0 "[ . 1]" 1
112 1 9 SER HA 1 9 SER QB 2.102 . 2.654 2.326 2.185 2.413 . 0 0 "[ . 1]" 1
113 1 9 SER HA 1 10 THR H 2.793 . 3.768 3.449 3.342 3.504 . 0 0 "[ . 1]" 1
114 1 9 SER HB3 1 10 THR H 2.920 . 3.986 3.748 2.680 4.099 0.113 6 0 "[ . 1]" 1
115 1 9 SER HB3 1 10 THR MG 2.948 . 4.035 3.733 3.185 4.834 0.799 6 2 "[ .+- 1]" 1
116 1 10 THR H 1 10 THR HB 3.755 . 5.518 3.780 3.701 3.846 . 0 0 "[ . 1]" 1
117 1 10 THR H 1 10 THR MG 3.103 . 4.307 3.150 2.934 3.408 . 0 0 "[ . 1]" 1
118 1 10 THR H 1 20 CYS HB2 4.268 . 6.544 4.535 3.972 4.841 . 0 0 "[ . 1]" 1
119 1 10 THR HA 1 10 THR HB 2.152 . 2.731 2.538 2.495 2.605 . 0 0 "[ . 1]" 1
120 1 10 THR HA 1 10 THR MG 2.805 . 3.788 2.313 2.253 2.354 . 0 0 "[ . 1]" 1
121 1 10 THR HB 1 10 THR MG 2.141 . 2.714 2.135 2.131 2.137 . 0 0 "[ . 1]" 1
122 1 10 THR HB 1 11 LYS HB2 3.882 . 5.766 5.690 5.403 5.883 0.117 2 0 "[ . 1]" 1
123 1 11 LYS HA 1 11 LYS HB2 2.473 . 3.238 2.437 2.377 2.493 . 0 0 "[ . 1]" 1
124 1 11 LYS HA 1 11 LYS HB3 2.261 . 2.900 2.446 2.400 2.514 . 0 0 "[ . 1]" 1
125 1 11 LYS HA 1 13 ASP H 3.389 . 4.824 3.469 3.206 3.626 . 0 0 "[ . 1]" 1
126 1 11 LYS HA 1 14 CYS H 3.208 . 4.495 3.626 3.389 3.857 . 0 0 "[ . 1]" 1
127 1 11 LYS HA 1 19 TRP HA 2.846 . 3.859 3.636 3.230 3.862 0.003 7 0 "[ . 1]" 1
128 1 11 LYS HA 1 20 CYS H 2.837 . 3.843 2.772 2.461 3.054 . 0 0 "[ . 1]" 1
129 1 11 LYS HA 1 20 CYS HB2 2.368 . 3.069 2.091 1.916 2.321 . 0 0 "[ . 1]" 1
130 1 11 LYS HA 1 20 CYS HB3 2.658 . 3.541 3.052 2.642 3.588 0.047 6 0 "[ . 1]" 1
131 1 11 LYS HB2 1 11 LYS QD 2.946 . 4.031 2.396 2.310 2.567 . 0 0 "[ . 1]" 1
132 1 11 LYS HB2 1 11 LYS HD2 2.424 . 3.159 2.195 2.169 2.226 . 0 0 "[ . 1]" 1
133 1 11 LYS HB2 1 11 LYS HD3 2.953 . 4.043 3.043 2.954 3.178 . 0 0 "[ . 1]" 1
134 1 11 LYS HB2 1 11 LYS QG 2.974 . 4.080 2.335 2.276 2.384 . 0 0 "[ . 1]" 1
135 1 11 LYS HB2 1 14 CYS HB2 3.278 . 4.622 4.663 4.634 4.700 0.078 5 0 "[ . 1]" 1
136 1 11 LYS HB2 1 20 CYS H 3.822 . 5.648 2.809 2.142 3.370 . 0 0 "[ . 1]" 1
137 1 11 LYS HB3 1 11 LYS HD2 3.073 . 4.253 3.048 2.880 3.141 . 0 0 "[ . 1]" 1
138 1 11 LYS HB3 1 11 LYS HD3 2.975 . 4.082 2.472 2.313 2.579 . 0 0 "[ . 1]" 1
139 1 11 LYS HB3 1 11 LYS QG 2.367 . 3.068 2.347 2.299 2.409 . 0 0 "[ . 1]" 1
140 1 11 LYS HB3 1 20 CYS H 3.757 . 5.521 2.283 1.998 2.869 . 0 0 "[ . 1]" 1
141 1 11 LYS HD2 1 19 TRP HA 3.558 . 5.140 4.218 3.713 4.981 . 0 0 "[ . 1]" 1
142 1 11 LYS HD3 1 19 TRP HA 3.464 . 4.964 4.700 3.677 5.145 0.181 3 0 "[ . 1]" 1
143 1 11 LYS QG 1 20 CYS H 3.351 . 4.755 4.255 4.008 4.780 0.025 3 0 "[ . 1]" 1
144 1 11 LYS HG3 1 12 SER HA 2.781 . 3.748 3.545 3.285 3.745 . 0 0 "[ . 1]" 1
145 1 12 SER H 1 12 SER HA 2.836 . 3.841 2.841 2.817 2.858 . 0 0 "[ . 1]" 1
146 1 12 SER HA 1 12 SER QB 2.043 . 2.565 2.329 2.313 2.357 . 0 0 "[ . 1]" 1
147 1 12 SER HA 1 13 ASP H 2.920 . 3.986 3.379 3.315 3.421 . 0 0 "[ . 1]" 1
148 1 12 SER HA 1 14 CYS H 3.425 . 4.891 3.659 3.241 4.158 . 0 0 "[ . 1]" 1
149 1 12 SER QB 1 13 ASP H 3.320 . 4.698 3.167 3.065 3.301 . 0 0 "[ . 1]" 1
150 1 13 ASP H 1 13 ASP HA 2.682 . 3.581 2.852 2.821 2.891 . 0 0 "[ . 1]" 1
151 1 13 ASP H 1 13 ASP QB 2.466 . 3.226 2.315 2.224 2.406 . 0 0 "[ . 1]" 1
152 1 13 ASP H 1 14 CYS H 2.617 . 3.473 2.488 2.390 2.607 . 0 0 "[ . 1]" 1
153 1 13 ASP HA 1 13 ASP QB 2.102 . 2.654 2.413 2.385 2.445 . 0 0 "[ . 1]" 1
154 1 13 ASP HA 1 14 CYS H 2.748 . 3.692 3.420 3.268 3.527 . 0 0 "[ . 1]" 1
155 1 13 ASP HA 1 14 CYS HA 3.065 . 4.239 3.937 3.906 3.964 . 0 0 "[ . 1]" 1
156 1 13 ASP HB2 1 14 CYS H 3.158 . 4.405 3.458 3.103 3.786 . 0 0 "[ . 1]" 1
157 1 14 CYS H 1 14 CYS HA 2.648 . 3.524 2.928 2.909 2.939 . 0 0 "[ . 1]" 1
158 1 14 CYS H 1 14 CYS HB2 2.563 . 3.384 2.576 2.426 2.711 . 0 0 "[ . 1]" 1
159 1 14 CYS H 1 14 CYS HB3 3.047 . 4.208 3.727 3.630 3.815 . 0 0 "[ . 1]" 1
160 1 14 CYS H 1 15 CYS H 4.295 . 6.600 4.464 4.318 4.555 . 0 0 "[ . 1]" 1
161 1 14 CYS HA 1 14 CYS HB2 2.365 . 3.064 3.021 3.013 3.026 . 0 0 "[ . 1]" 1
162 1 14 CYS HA 1 14 CYS HB3 2.169 . 2.757 2.487 2.439 2.515 . 0 0 "[ . 1]" 1
163 1 14 CYS HA 1 15 CYS H 2.281 . 2.932 2.529 2.354 2.785 . 0 0 "[ . 1]" 1
164 1 14 CYS HB2 1 15 CYS H 5.655 . 9.652 3.479 3.016 3.778 . 0 0 "[ . 1]" 1
165 1 14 CYS HB2 1 18 LEU HB2 2.726 . 3.655 2.936 2.371 3.540 . 0 0 "[ . 1]" 1
166 1 14 CYS HB3 1 15 CYS H 2.635 . 3.503 2.310 1.928 2.564 . 0 0 "[ . 1]" 1
167 1 14 CYS HB3 1 18 LEU H 3.582 . 5.186 4.256 3.896 4.576 . 0 0 "[ . 1]" 1
168 1 14 CYS HB3 1 18 LEU HB2 2.363 . 3.061 2.167 1.948 2.546 . 0 0 "[ . 1]" 1
169 1 14 CYS HB3 1 18 LEU HB3 2.589 . 3.427 3.214 2.983 3.445 0.018 4 0 "[ . 1]" 1
170 1 14 CYS HB3 1 18 LEU QD 2.999 . 4.123 2.995 2.378 3.546 . 0 0 "[ . 1]" 1
171 1 15 CYS H 1 15 CYS HA 2.467 . 3.228 2.862 2.820 2.914 . 0 0 "[ . 1]" 1
172 1 15 CYS H 1 15 CYS HB2 2.586 . 3.422 2.205 2.130 2.328 . 0 0 "[ . 1]" 1
173 1 15 CYS H 1 15 CYS HB3 2.916 . 3.979 3.456 3.175 3.573 . 0 0 "[ . 1]" 1
174 1 15 CYS H 1 18 LEU HB2 3.362 . 4.774 3.251 2.386 3.780 . 0 0 "[ . 1]" 1
175 1 15 CYS H 1 18 LEU HB3 3.730 . 5.469 4.828 4.012 5.414 . 0 0 "[ . 1]" 1
176 1 15 CYS H 1 18 LEU QD 2.805 . 3.788 2.743 2.445 3.305 . 0 0 "[ . 1]" 1
177 1 15 CYS HA 1 15 CYS HB2 2.421 . 3.154 2.955 2.809 3.011 . 0 0 "[ . 1]" 1
178 1 15 CYS HA 1 15 CYS HB3 2.161 . 2.745 2.693 2.565 2.879 0.134 10 0 "[ . 1]" 1
179 1 15 CYS HA 1 16 SER H 2.371 . 3.074 2.456 2.274 2.658 . 0 0 "[ . 1]" 1
180 1 15 CYS HB2 1 16 SER H 3.396 . 4.837 3.808 3.483 4.079 . 0 0 "[ . 1]" 1
181 1 15 CYS HB2 1 18 LEU QD 2.551 . 3.364 2.542 2.154 2.821 . 0 0 "[ . 1]" 1
182 1 15 CYS HB3 1 16 SER H 2.905 . 3.960 2.438 1.962 2.812 . 0 0 "[ . 1]" 1
183 1 15 CYS HB3 1 18 LEU QD 2.761 . 3.714 3.438 2.536 3.746 0.032 5 0 "[ . 1]" 1
184 1 16 SER H 1 16 SER HA 2.706 . 3.621 2.801 2.750 2.848 . 0 0 "[ . 1]" 1
185 1 16 SER H 1 16 SER QB 2.727 . 3.657 2.435 2.234 2.621 . 0 0 "[ . 1]" 1
186 1 16 SER H 1 18 LEU H 4.416 . 6.854 4.349 4.033 4.944 . 0 0 "[ . 1]" 1
187 1 16 SER HA 1 16 SER QB 1.946 . 2.420 2.346 2.309 2.370 . 0 0 "[ . 1]" 1
188 1 16 SER HA 1 18 LEU H 3.386 . 4.819 3.764 3.418 4.029 . 0 0 "[ . 1]" 1
189 1 17 GLY HA2 1 18 LEU H 3.144 . 4.379 3.425 3.308 3.511 . 0 0 "[ . 1]" 1
190 1 17 GLY HA2 1 30 ARG H 2.519 . 3.312 3.261 2.933 3.388 0.076 9 0 "[ . 1]" 1
191 1 17 GLY HA3 1 18 LEU H 3.266 . 4.599 3.023 2.770 3.176 . 0 0 "[ . 1]" 1
192 1 18 LEU H 1 18 LEU HA 2.626 . 3.488 2.941 2.932 2.948 . 0 0 "[ . 1]" 1
193 1 18 LEU H 1 18 LEU HB2 2.553 . 3.368 2.607 2.515 2.727 . 0 0 "[ . 1]" 1
194 1 18 LEU H 1 18 LEU HB3 3.134 . 4.362 3.727 3.683 3.791 . 0 0 "[ . 1]" 1
195 1 18 LEU H 1 18 LEU QD 3.554 . 4.252 2.429 1.922 3.360 0.053 1 0 "[ . 1]" 1
196 1 18 LEU H 1 19 TRP HA 3.897 . 5.795 4.838 4.720 4.940 . 0 0 "[ . 1]" 1
197 1 18 LEU HA 1 18 LEU HB2 2.966 . 4.066 3.019 3.014 3.024 . 0 0 "[ . 1]" 1
198 1 18 LEU HA 1 18 LEU HB3 2.670 . 3.561 2.449 2.397 2.512 . 0 0 "[ . 1]" 1
199 1 18 LEU HA 1 18 LEU QD 2.508 . 3.294 2.110 1.997 2.368 . 0 0 "[ . 1]" 1
200 1 18 LEU HA 1 19 TRP H 2.189 . 2.788 2.175 2.119 2.517 . 0 0 "[ . 1]" 1
201 1 18 LEU HA 1 29 ARG H 2.441 . 3.186 2.680 2.096 3.052 . 0 0 "[ . 1]" 1
202 1 18 LEU HB2 1 18 LEU QD 2.724 . 3.651 2.206 2.182 2.230 . 0 0 "[ . 1]" 1
203 1 18 LEU HB2 1 18 LEU HG 2.537 . 3.341 2.553 2.521 2.588 . 0 0 "[ . 1]" 1
204 1 18 LEU HB2 1 19 TRP H 3.255 . 4.579 4.167 3.262 4.330 . 0 0 "[ . 1]" 1
205 1 18 LEU HB2 1 26 CYS HB3 6.804 . 12.590 3.169 2.584 3.898 . 0 0 "[ . 1]" 1
206 1 18 LEU HB2 1 27 TYR H 3.669 . 5.352 5.372 5.352 5.408 0.056 6 0 "[ . 1]" 1
207 1 18 LEU HB3 1 18 LEU QD 2.661 . 3.339 2.364 2.087 2.469 . 0 0 "[ . 1]" 1
208 1 18 LEU HB3 1 19 TRP H 2.618 . 3.475 3.375 2.347 3.555 0.080 2 0 "[ . 1]" 1
209 1 18 LEU HB3 1 26 CYS HB3 2.766 . 3.722 2.029 1.782 2.632 0.028 6 0 "[ . 1]" 1
210 1 18 LEU HB3 1 27 TYR H 3.184 . 4.452 3.861 3.758 3.988 . 0 0 "[ . 1]" 1
211 1 18 LEU MD1 1 18 LEU MD2 2.532 . 3.334 2.087 2.074 2.097 . 0 0 "[ . 1]" 1
212 1 18 LEU QD 1 18 LEU HG 3.062 . 3.191 1.886 1.884 1.894 0.006 10 0 "[ . 1]" 1
213 1 18 LEU QD 1 19 TRP H 3.141 . 4.374 3.649 3.452 3.819 . 0 0 "[ . 1]" 1
214 1 18 LEU QD 1 26 CYS HB3 3.106 . 4.312 3.544 2.919 3.830 . 0 0 "[ . 1]" 1
215 1 18 LEU QD 1 27 TYR H 3.599 . 5.218 4.238 3.658 4.691 . 0 0 "[ . 1]" 1
216 1 18 LEU QD 1 29 ARG H 4.104 . 6.210 3.157 2.625 3.487 . 0 0 "[ . 1]" 1
217 1 18 LEU QD 1 32 THR MG 3.410 . 4.864 3.375 2.056 4.850 . 0 0 "[ . 1]" 1
218 1 19 TRP H 1 19 TRP HA 2.781 . 3.748 2.926 2.853 2.942 . 0 0 "[ . 1]" 1
219 1 19 TRP H 1 19 TRP HB2 2.680 . 3.578 2.574 2.354 4.012 0.434 5 0 "[ . 1]" 1
220 1 19 TRP H 1 19 TRP HD1 3.137 . 4.367 2.855 2.000 3.805 . 0 0 "[ . 1]" 1
221 1 19 TRP H 1 26 CYS HA 3.965 . 5.930 4.357 3.852 4.766 . 0 0 "[ . 1]" 1
222 1 19 TRP H 1 27 TYR H 2.843 . 3.853 3.053 2.829 3.262 . 0 0 "[ . 1]" 1
223 1 19 TRP H 1 29 ARG HA 4.012 . 6.024 5.075 4.376 5.530 . 0 0 "[ . 1]" 1
224 1 19 TRP HA 1 19 TRP HB2 2.809 . 3.795 2.958 2.449 3.025 . 0 0 "[ . 1]" 1
225 1 19 TRP HA 1 19 TRP HB3 2.526 . 3.323 2.548 2.437 2.597 . 0 0 "[ . 1]" 1
226 1 19 TRP HA 1 20 CYS H 2.513 . 3.302 2.293 2.167 2.377 . 0 0 "[ . 1]" 1
227 1 19 TRP HB2 1 27 TYR H 3.904 . 5.810 4.280 3.949 5.555 . 0 0 "[ . 1]" 1
228 1 19 TRP HB3 1 20 CYS H 2.612 . 3.465 2.862 2.549 3.757 0.292 5 0 "[ . 1]" 1
229 1 19 TRP HB3 1 29 ARG HA 4.709 . 7.480 6.538 6.002 7.019 . 0 0 "[ . 1]" 1
230 1 19 TRP HD1 1 29 ARG H 3.630 . 5.277 3.910 3.370 4.736 . 0 0 "[ . 1]" 1
231 1 20 CYS H 1 20 CYS HA 2.693 . 3.599 2.895 2.872 2.924 . 0 0 "[ . 1]" 1
232 1 20 CYS H 1 20 CYS HB2 2.709 . 3.627 2.612 2.493 2.744 . 0 0 "[ . 1]" 1
233 1 20 CYS H 1 20 CYS HB3 2.782 . 3.749 2.553 2.491 2.638 . 0 0 "[ . 1]" 1
234 1 20 CYS H 1 21 SER H 4.692 . 7.444 4.503 4.394 4.592 . 0 0 "[ . 1]" 1
235 1 20 CYS H 1 27 TYR QE 3.841 . 5.685 4.724 4.091 5.503 . 0 0 "[ . 1]" 1
236 1 20 CYS HA 1 20 CYS HB2 2.310 . 2.977 2.504 2.466 2.551 . 0 0 "[ . 1]" 1
237 1 20 CYS HA 1 21 SER H 2.031 . 2.547 2.181 2.125 2.284 . 0 0 "[ . 1]" 1
238 1 20 CYS HA 1 25 HIS H 4.320 . 6.653 4.613 4.270 4.956 . 0 0 "[ . 1]" 1
239 1 20 CYS HA 1 26 CYS H 4.541 . 7.118 4.078 3.743 4.305 . 0 0 "[ . 1]" 1
240 1 20 CYS HA 1 26 CYS HA 2.244 . 2.874 2.082 1.940 2.377 . 0 0 "[ . 1]" 1
241 1 20 CYS HA 1 26 CYS HB3 3.455 . 4.947 4.046 3.712 4.622 . 0 0 "[ . 1]" 1
242 1 20 CYS HA 1 27 TYR H 2.993 . 4.112 3.635 3.378 3.961 . 0 0 "[ . 1]" 1
243 1 20 CYS HB2 1 21 SER H 3.925 . 5.851 4.250 4.101 4.420 . 0 0 "[ . 1]" 1
244 1 20 CYS HB2 1 26 CYS HA 4.257 . 6.523 4.151 3.901 4.273 . 0 0 "[ . 1]" 1
245 1 20 CYS HB3 1 21 SER H 4.000 . 6.000 4.075 3.742 4.282 . 0 0 "[ . 1]" 1
246 1 21 SER H 1 21 SER HA 2.541 . 3.348 2.879 2.856 2.916 . 0 0 "[ . 1]" 1
247 1 21 SER H 1 21 SER HB2 2.978 . 4.087 3.200 2.547 3.610 . 0 0 "[ . 1]" 1
248 1 21 SER H 1 21 SER HB3 2.643 . 3.516 2.661 2.445 2.923 . 0 0 "[ . 1]" 1
249 1 21 SER H 1 25 HIS H 2.955 . 4.046 3.147 2.654 3.784 . 0 0 "[ . 1]" 1
250 1 21 SER H 1 26 CYS HA 3.328 . 4.713 3.105 2.593 3.601 . 0 0 "[ . 1]" 1
251 1 21 SER H 1 27 TYR QD 2.979 . 4.088 3.167 2.731 3.534 . 0 0 "[ . 1]" 1
252 1 21 SER H 1 27 TYR QE 3.678 . 5.369 3.666 3.356 3.973 . 0 0 "[ . 1]" 1
253 1 21 SER HA 1 21 SER HB2 2.519 . 3.312 2.502 2.462 2.535 . 0 0 "[ . 1]" 1
254 1 21 SER HA 1 21 SER HB2 1.934 . 2.402 2.269 2.168 2.414 0.012 4 0 "[ . 1]" 1
255 1 21 SER HA 1 21 SER HB3 2.511 . 3.299 2.660 2.389 3.036 . 0 0 "[ . 1]" 1
256 1 21 SER HA 1 27 TYR QD 2.900 . 3.951 3.629 2.790 3.995 0.044 5 0 "[ . 1]" 1
257 1 21 SER HA 1 27 TYR QE 2.237 . 2.862 2.409 2.009 2.898 0.036 3 0 "[ . 1]" 1
258 1 21 SER HB2 1 25 HIS H 3.743 . 5.495 4.238 3.816 5.128 . 0 0 "[ . 1]" 1
259 1 21 SER HB2 1 27 TYR QD 3.135 . 4.364 3.326 1.977 4.371 0.007 2 0 "[ . 1]" 1
260 1 21 SER HB2 1 27 TYR QE 3.449 . 4.936 3.536 2.526 4.414 . 0 0 "[ . 1]" 1
261 1 21 SER HB3 1 27 TYR QD 2.752 . 3.698 2.870 2.082 3.834 0.136 10 0 "[ . 1]" 1
262 1 21 SER HB3 1 27 TYR QE 3.294 . 4.650 3.517 2.121 4.426 . 0 0 "[ . 1]" 1
263 1 23 SER HA 1 23 SER HB3 1.950 . 2.425 2.660 2.374 3.032 0.607 5 4 "[ *+ -* 1]" 1
264 1 23 SER HA 1 24 GLY H 2.898 . 3.948 2.968 2.526 3.421 . 0 0 "[ . 1]" 1
265 1 24 GLY H 1 24 GLY HA2 2.352 . 3.044 2.711 2.300 2.952 . 0 0 "[ . 1]" 1
266 1 24 GLY H 1 24 GLY HA3 2.438 . 3.181 2.668 2.395 2.951 . 0 0 "[ . 1]" 1
267 1 24 GLY H 1 25 HIS H 2.693 . 3.599 2.713 2.068 3.311 . 0 0 "[ . 1]" 1
268 1 24 GLY H 1 25 HIS HA 4.628 . 7.305 4.738 4.401 5.171 . 0 0 "[ . 1]" 1
269 1 24 GLY H 1 25 HIS QB 6.026 . 10.566 5.076 4.451 5.581 . 0 0 "[ . 1]" 1
270 1 24 GLY HA2 1 25 HIS H 2.809 . 3.796 3.318 2.849 3.514 . 0 0 "[ . 1]" 1
271 1 24 GLY HA3 1 25 HIS H 3.704 . 5.419 2.736 2.171 3.546 . 0 0 "[ . 1]" 1
272 1 25 HIS H 1 25 HIS HA 2.675 . 3.569 2.933 2.891 2.948 . 0 0 "[ . 1]" 1
273 1 25 HIS H 1 25 HIS HB2 2.714 . 3.635 2.933 2.664 3.805 0.170 5 0 "[ . 1]" 1
274 1 25 HIS H 1 25 HIS HB3 3.036 . 4.188 3.788 3.600 3.843 . 0 0 "[ . 1]" 1
275 1 25 HIS HA 1 25 HIS QB 2.049 . 2.574 2.346 2.160 2.414 . 0 0 "[ . 1]" 1
276 1 25 HIS HA 1 25 HIS HB3 2.450 . 3.201 2.463 2.290 2.538 . 0 0 "[ . 1]" 1
277 1 25 HIS HA 1 25 HIS HD2 3.040 . 4.195 3.238 2.668 4.240 0.045 5 0 "[ . 1]" 1
278 1 25 HIS HA 1 26 CYS H 2.024 . 2.536 2.204 2.142 2.275 . 0 0 "[ . 1]" 1
279 1 25 HIS HB3 1 26 CYS H 2.616 . 3.471 3.130 2.688 3.696 0.225 5 0 "[ . 1]" 1
280 1 26 CYS H 1 26 CYS HA 2.302 . 2.964 2.858 2.806 2.897 . 0 0 "[ . 1]" 1
281 1 26 CYS H 1 26 CYS HB2 2.542 . 3.350 2.418 2.384 2.476 . 0 0 "[ . 1]" 1
282 1 26 CYS H 1 26 CYS HB3 3.242 . 4.556 3.589 3.564 3.607 . 0 0 "[ . 1]" 1
283 1 26 CYS H 1 27 TYR H 3.708 . 5.427 4.561 4.415 4.631 . 0 0 "[ . 1]" 1
284 1 26 CYS HA 1 26 CYS HB2 2.466 . 3.226 3.021 3.018 3.027 . 0 0 "[ . 1]" 1
285 1 26 CYS HA 1 26 CYS HB3 2.204 . 2.811 2.502 2.470 2.527 . 0 0 "[ . 1]" 1
286 1 26 CYS HA 1 27 TYR H 1.983 . 2.474 2.210 2.144 2.330 . 0 0 "[ . 1]" 1
287 1 26 CYS HA 1 27 TYR QD 2.841 . 3.850 3.467 3.056 3.862 0.012 4 0 "[ . 1]" 1
288 1 26 CYS HB2 1 27 TYR H 3.315 . 4.689 4.090 3.844 4.352 . 0 0 "[ . 1]" 1
289 1 26 CYS HB3 1 27 TYR H 3.095 . 4.293 3.057 2.626 3.538 . 0 0 "[ . 1]" 1
290 1 27 TYR H 1 27 TYR HA 2.684 . 3.585 2.938 2.912 2.949 . 0 0 "[ . 1]" 1
291 1 27 TYR H 1 27 TYR HB2 3.002 . 4.128 3.791 3.688 3.881 . 0 0 "[ . 1]" 1
292 1 27 TYR H 1 27 TYR HB3 2.906 . 3.962 3.138 2.904 3.382 . 0 0 "[ . 1]" 1
293 1 27 TYR H 1 27 TYR QD 2.661 . 3.546 2.561 2.395 2.902 . 0 0 "[ . 1]" 1
294 1 27 TYR H 1 27 TYR QE 4.156 . 6.315 4.090 3.988 4.245 . 0 0 "[ . 1]" 1
295 1 27 TYR HA 1 27 TYR HB2 2.119 . 2.680 2.467 2.425 2.508 . 0 0 "[ . 1]" 1
296 1 27 TYR HA 1 27 TYR QB 1.848 . 2.275 2.185 2.173 2.189 . 0 0 "[ . 1]" 1
297 1 27 TYR HA 1 28 HIS H 2.362 . 3.059 2.354 2.249 2.556 . 0 0 "[ . 1]" 1
298 1 27 TYR HB2 1 27 TYR QD 2.193 . 2.794 2.365 2.310 2.423 . 0 0 "[ . 1]" 1
299 1 27 TYR HB2 1 28 HIS H 2.544 . 3.353 2.588 2.222 2.807 . 0 0 "[ . 1]" 1
300 1 27 TYR QD 1 28 HIS H 3.316 . 4.690 3.558 2.833 3.817 . 0 0 "[ . 1]" 1
301 1 28 HIS H 1 28 HIS HA 2.738 . 3.675 2.864 2.805 2.889 . 0 0 "[ . 1]" 1
302 1 28 HIS H 1 28 HIS HB3 3.302 . 4.665 2.943 2.690 3.636 . 0 0 "[ . 1]" 1
303 1 28 HIS HA 1 28 HIS HB2 2.635 . 3.503 2.604 2.442 3.026 . 0 0 "[ . 1]" 1
304 1 28 HIS HA 1 28 HIS HB3 2.741 . 3.680 2.469 2.335 3.013 . 0 0 "[ . 1]" 1
305 1 28 HIS HA 1 29 ARG H 2.238 . 2.864 2.293 2.098 2.431 . 0 0 "[ . 1]" 1
306 1 28 HIS QB 1 29 ARG H 3.295 . 4.652 3.786 3.381 4.033 . 0 0 "[ . 1]" 1
307 1 28 HIS HD2 1 29 ARG HA 4.633 . 7.316 5.044 4.173 7.078 . 0 0 "[ . 1]" 1
308 1 29 ARG HA 1 29 ARG HB2 2.770 . 3.729 2.503 2.401 2.596 . 0 0 "[ . 1]" 1
309 1 29 ARG HA 1 29 ARG HB3 2.400 . 3.120 3.017 3.007 3.022 . 0 0 "[ . 1]" 1
310 1 29 ARG HA 1 29 ARG QD 3.108 . 4.316 3.150 1.918 4.067 . 0 0 "[ . 1]" 1
311 1 29 ARG HA 1 30 ARG H 2.643 . 3.516 3.534 3.475 3.563 0.047 2 0 "[ . 1]" 1
312 1 29 ARG HB2 1 30 ARG H 3.842 . 5.687 3.752 3.413 3.951 . 0 0 "[ . 1]" 1
313 1 29 ARG HB3 1 29 ARG HD3 3.626 . 5.270 3.217 2.520 3.762 . 0 0 "[ . 1]" 1
314 1 29 ARG QD 1 29 ARG QG 2.369 . 3.070 2.057 2.003 2.091 . 0 0 "[ . 1]" 1
315 1 29 ARG QD 1 30 ARG H 4.626 . 7.302 4.327 3.145 5.294 . 0 0 "[ . 1]" 1
316 1 29 ARG QG 1 30 ARG H 2.911 . 3.970 3.802 3.407 4.099 0.129 10 0 "[ . 1]" 1
317 1 30 ARG H 1 30 ARG QG 3.327 . 4.710 3.224 2.438 4.063 . 0 0 "[ . 1]" 1
318 1 30 ARG HA 1 30 ARG HB3 2.940 . 4.020 2.710 2.477 3.022 . 0 0 "[ . 1]" 1
319 1 30 ARG HA 1 30 ARG QD 3.048 . 4.209 3.580 1.961 4.214 0.005 5 0 "[ . 1]" 1
320 1 30 ARG HA 1 30 ARG QG 2.443 . 3.189 2.558 2.374 2.944 . 0 0 "[ . 1]" 1
321 1 30 ARG QB 1 32 THR MG 3.717 . 5.444 4.439 2.589 5.480 0.036 4 0 "[ . 1]" 1
322 1 30 ARG HB2 1 30 ARG QD 2.530 . 3.330 2.677 2.349 3.478 0.148 8 0 "[ . 1]" 1
323 1 30 ARG HB2 1 31 TYR HA 3.786 . 5.578 5.603 4.414 6.268 0.690 1 2 "[+ . -1]" 1
324 1 30 ARG HB3 1 30 ARG QD 3.120 . 4.337 2.747 2.279 3.451 . 0 0 "[ . 1]" 1
325 1 30 ARG HB3 1 32 THR H 5.974 . 10.435 5.022 3.256 6.354 . 0 0 "[ . 1]" 1
326 1 30 ARG QD 1 30 ARG QG 2.792 . 3.767 2.029 1.990 2.090 . 0 0 "[ . 1]" 1
327 1 30 ARG QD 1 30 ARG HG3 2.521 . 3.315 2.243 2.166 2.365 . 0 0 "[ . 1]" 1
328 1 31 TYR HA 1 31 TYR HB2 2.292 . 2.949 2.772 2.460 3.019 0.070 10 0 "[ . 1]" 1
329 1 31 TYR HA 1 31 TYR HB3 2.538 . 3.343 2.771 2.481 3.030 . 0 0 "[ . 1]" 1
330 1 31 TYR HA 1 31 TYR QD 2.613 . 3.466 2.760 2.528 3.122 . 0 0 "[ . 1]" 1
331 1 31 TYR HA 1 31 TYR QE 4.058 . 6.116 4.556 4.485 4.636 . 0 0 "[ . 1]" 1
332 1 31 TYR HA 1 32 THR H 2.481 . 3.250 2.603 2.132 3.501 0.251 1 0 "[ . 1]" 1
333 1 31 TYR HB2 1 31 TYR QD 2.821 . 3.816 2.459 2.317 2.565 . 0 0 "[ . 1]" 1
334 1 31 TYR HB2 1 32 THR H 3.417 . 4.876 4.234 2.239 4.612 . 0 0 "[ . 1]" 1
335 1 31 TYR HB3 1 31 TYR QD 2.814 . 3.804 2.369 2.292 2.498 . 0 0 "[ . 1]" 1
336 1 31 TYR HB3 1 32 THR H 3.532 . 5.091 4.196 3.204 4.451 . 0 0 "[ . 1]" 1
337 1 32 THR H 1 32 THR MG 3.915 . 5.831 3.016 1.964 3.997 0.035 7 0 "[ . 1]" 1
338 1 32 THR HA 1 32 THR MG 2.950 . 4.038 2.565 2.189 3.227 . 0 0 "[ . 1]" 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 28, 2024 11:10:43 PM GMT (wattos1)