NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
383957 |
1k81   |
5294 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1k81
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 169
_Distance_constraint_stats_list.Viol_count 502
_Distance_constraint_stats_list.Viol_total 343.349
_Distance_constraint_stats_list.Viol_max 0.421
_Distance_constraint_stats_list.Viol_rms 0.0583
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0203
_Distance_constraint_stats_list.Viol_average_violations_only 0.0684
_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 ILE 4.400 0.421 7 0 "[ . 1]"
1 3 CYS 4.400 0.421 7 0 "[ . 1]"
1 4 ARG 0.068 0.027 8 0 "[ . 1]"
1 5 GLU 0.061 0.021 7 0 "[ . 1]"
1 6 CYS 0.405 0.123 8 0 "[ . 1]"
1 8 LYS 0.000 0.000 . 0 "[ . 1]"
1 9 PRO 0.565 0.104 9 0 "[ . 1]"
1 10 ASP 3.545 0.116 8 0 "[ . 1]"
1 11 THR 0.264 0.051 6 0 "[ . 1]"
1 12 LYS 0.056 0.024 7 0 "[ . 1]"
1 13 ILE 0.000 0.000 . 0 "[ . 1]"
1 14 ILE 1.482 0.075 8 0 "[ . 1]"
1 15 LYS 0.423 0.075 8 0 "[ . 1]"
1 16 GLU 3.088 0.138 1 0 "[ . 1]"
1 17 GLY 0.000 0.000 . 0 "[ . 1]"
1 18 ARG 0.000 0.000 . 0 "[ . 1]"
1 19 VAL 5.490 0.238 8 0 "[ . 1]"
1 20 HIS 4.480 0.238 8 0 "[ . 1]"
1 21 LEU 3.623 0.259 4 0 "[ . 1]"
1 22 LEU 7.872 0.326 2 0 "[ . 1]"
1 23 LYS 5.899 0.326 2 0 "[ . 1]"
1 24 CYS 8.659 0.273 9 0 "[ . 1]"
1 25 MET 2.772 0.116 8 0 "[ . 1]"
1 26 ALA 2.578 0.268 4 0 "[ . 1]"
1 27 CYS 0.023 0.019 10 0 "[ . 1]"
1 28 GLY 0.145 0.023 7 0 "[ . 1]"
1 29 ALA 3.375 0.175 10 0 "[ . 1]"
1 30 ILE 0.037 0.019 8 0 "[ . 1]"
1 31 ARG 2.244 0.075 9 0 "[ . 1]"
1 33 ILE 1.951 0.066 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 2 ILE H 1 3 CYS H 2.000 . 4.000 2.772 2.597 2.964 . 0 0 "[ . 1]" 1
2 1 2 ILE HA 1 3 CYS H 2.000 . 3.000 3.413 3.397 3.421 0.421 7 0 "[ . 1]" 1
3 1 2 ILE MD 1 3 CYS H 2.000 . 4.000 3.658 1.946 4.161 0.161 6 0 "[ . 1]" 1
4 1 2 ILE MG 1 3 CYS H 2.000 . 4.000 2.733 1.815 3.853 . 0 0 "[ . 1]" 1
5 1 3 CYS H 1 3 CYS HA 2.000 . 3.000 2.769 2.290 2.943 . 0 0 "[ . 1]" 1
6 1 3 CYS H 1 3 CYS QB 2.000 . 4.000 2.690 2.254 3.110 . 0 0 "[ . 1]" 1
7 1 3 CYS HA 1 4 ARG H 2.000 . 4.000 2.533 2.139 3.556 . 0 0 "[ . 1]" 1
8 1 4 ARG H 1 4 ARG HA 2.000 . 3.000 2.856 2.706 2.946 . 0 0 "[ . 1]" 1
9 1 4 ARG H 1 4 ARG QB 2.000 . 4.000 2.463 2.193 3.080 . 0 0 "[ . 1]" 1
10 1 4 ARG H 1 4 ARG QG 2.000 . 4.000 3.254 2.155 4.027 0.027 8 0 "[ . 1]" 1
11 1 4 ARG H 1 5 GLU H 2.000 . 4.000 2.774 2.172 4.021 0.021 7 0 "[ . 1]" 1
12 1 4 ARG H 1 6 CYS H 2.000 . 5.000 4.039 2.532 4.969 . 0 0 "[ . 1]" 1
13 1 4 ARG HA 1 5 GLU H 2.000 . 4.000 3.348 2.300 3.569 . 0 0 "[ . 1]" 1
14 1 5 GLU H 1 5 GLU HA 2.000 . 3.000 2.864 2.276 2.948 . 0 0 "[ . 1]" 1
15 1 5 GLU H 1 5 GLU QB 2.000 . 4.000 2.721 2.193 3.180 . 0 0 "[ . 1]" 1
16 1 5 GLU H 1 5 GLU QG 2.000 . 4.000 2.989 1.958 3.963 . 0 0 "[ . 1]" 1
17 1 5 GLU H 1 6 CYS H 2.000 . 3.000 2.724 2.016 3.010 0.010 2 0 "[ . 1]" 1
18 1 5 GLU HA 1 6 CYS H 2.000 . 5.000 2.846 2.448 3.544 . 0 0 "[ . 1]" 1
19 1 5 GLU QB 1 6 CYS H 2.000 . 4.000 3.831 3.304 4.015 0.015 2 0 "[ . 1]" 1
20 1 6 CYS H 1 6 CYS HA 2.000 . 3.000 2.867 2.768 2.945 . 0 0 "[ . 1]" 1
21 1 6 CYS H 1 6 CYS HB2 2.000 . 4.000 2.542 2.076 3.577 . 0 0 "[ . 1]" 1
22 1 6 CYS H 1 6 CYS HB3 2.000 . 3.000 2.977 2.736 3.123 0.123 8 0 "[ . 1]" 1
23 1 8 LYS H 1 8 LYS QB 2.000 . 4.000 2.789 2.071 3.248 . 0 0 "[ . 1]" 1
24 1 9 PRO QB 1 10 ASP H 2.000 . 4.000 1.673 1.579 1.811 . 0 0 "[ . 1]" 1
25 1 9 PRO QD 1 10 ASP H 2.000 . 4.000 3.988 3.490 4.104 0.104 9 0 "[ . 1]" 1
26 1 9 PRO QG 1 10 ASP H 2.000 . 4.000 3.104 1.986 3.711 . 0 0 "[ . 1]" 1
27 1 10 ASP C 1 25 MET H 3.380 3.360 3.400 3.318 3.287 3.401 0.073 3 0 "[ . 1]" 1
28 1 10 ASP C 1 25 MET N 4.350 4.330 4.370 4.261 4.216 4.293 0.114 3 0 "[ . 1]" 1
29 1 10 ASP H 1 10 ASP QB 2.000 . 4.000 2.634 2.378 3.057 . 0 0 "[ . 1]" 1
30 1 10 ASP H 1 25 MET C 3.380 3.360 3.400 3.442 3.354 3.497 0.097 10 0 "[ . 1]" 1
31 1 10 ASP H 1 25 MET O 2.150 . 2.350 2.292 2.252 2.331 . 0 0 "[ . 1]" 1
32 1 10 ASP HA 1 11 THR H 2.000 . 4.000 2.418 2.289 2.777 . 0 0 "[ . 1]" 1
33 1 10 ASP QB 1 11 THR HA 2.000 . 4.000 4.013 3.960 4.051 0.051 6 0 "[ . 1]" 1
34 1 10 ASP N 1 25 MET C 4.350 4.330 4.370 4.382 4.329 4.436 0.066 10 0 "[ . 1]" 1
35 1 10 ASP N 1 25 MET O 3.140 3.120 3.160 3.237 3.210 3.276 0.116 8 0 "[ . 1]" 1
36 1 10 ASP O 1 25 MET H 2.150 . 2.350 2.234 2.204 2.278 . 0 0 "[ . 1]" 1
37 1 10 ASP O 1 25 MET N 3.140 3.120 3.160 3.157 3.089 3.200 0.040 6 0 "[ . 1]" 1
38 1 11 THR H 1 11 THR MG 2.000 . 4.000 2.874 1.992 3.940 . 0 0 "[ . 1]" 1
39 1 11 THR H 1 12 LYS H 2.000 . 6.000 4.346 4.327 4.374 . 0 0 "[ . 1]" 1
40 1 11 THR HA 1 11 THR MG 2.000 . 4.000 2.586 2.164 3.207 . 0 0 "[ . 1]" 1
41 1 11 THR HA 1 12 LYS H 2.000 . 3.000 2.151 2.133 2.180 . 0 0 "[ . 1]" 1
42 1 11 THR HA 1 24 CYS HA 2.000 . 3.000 2.657 2.308 2.858 . 0 0 "[ . 1]" 1
43 1 11 THR HA 1 25 MET H 2.000 . 4.000 3.270 2.643 3.712 . 0 0 "[ . 1]" 1
44 1 11 THR HB 1 12 LYS H 2.000 . 4.000 3.593 3.201 4.024 0.024 7 0 "[ . 1]" 1
45 1 11 THR HG1 1 12 LYS H 2.000 . 5.000 3.335 2.518 3.865 . 0 0 "[ . 1]" 1
46 1 12 LYS H 1 12 LYS HA 2.000 . 3.000 2.954 2.952 2.955 . 0 0 "[ . 1]" 1
47 1 12 LYS H 1 12 LYS HB2 2.000 . 4.000 2.690 2.473 3.005 . 0 0 "[ . 1]" 1
48 1 12 LYS H 1 13 ILE H 2.000 . 6.000 4.360 4.351 4.379 . 0 0 "[ . 1]" 1
49 1 13 ILE HA 1 22 LEU HA 2.000 . 4.000 2.637 2.493 2.774 . 0 0 "[ . 1]" 1
50 1 14 ILE C 1 21 LEU H 3.380 3.360 3.400 3.357 3.339 3.376 0.021 8 0 "[ . 1]" 1
51 1 14 ILE C 1 21 LEU N 4.350 4.330 4.370 4.296 4.285 4.307 0.045 8 0 "[ . 1]" 1
52 1 14 ILE H 1 21 LEU C 3.380 3.360 3.400 3.431 3.410 3.466 0.066 8 0 "[ . 1]" 1
53 1 14 ILE H 1 21 LEU H 2.000 . 4.000 3.762 3.505 4.028 0.028 8 0 "[ . 1]" 1
54 1 14 ILE H 1 21 LEU O 2.150 . 2.350 2.223 2.204 2.255 . 0 0 "[ . 1]" 1
55 1 14 ILE HA 1 15 LYS H 2.000 . 4.000 2.209 2.186 2.232 . 0 0 "[ . 1]" 1
56 1 14 ILE HB 1 15 LYS H 2.000 . 4.000 3.864 3.109 4.075 0.075 8 0 "[ . 1]" 1
57 1 14 ILE MD 1 15 LYS H 2.000 . 4.000 3.365 1.962 3.947 . 0 0 "[ . 1]" 1
58 1 14 ILE N 1 21 LEU C 4.350 4.330 4.370 4.382 4.374 4.394 0.024 8 0 "[ . 1]" 1
59 1 14 ILE N 1 21 LEU O 3.140 3.120 3.160 3.166 3.146 3.187 0.027 3 0 "[ . 1]" 1
60 1 14 ILE O 1 21 LEU H 2.150 . 2.350 2.205 2.179 2.237 . 0 0 "[ . 1]" 1
61 1 14 ILE O 1 21 LEU N 3.140 3.120 3.160 3.111 3.096 3.119 0.024 3 0 "[ . 1]" 1
62 1 15 LYS H 1 15 LYS HA 2.000 . 3.000 2.955 2.954 2.957 . 0 0 "[ . 1]" 1
63 1 15 LYS H 1 15 LYS QB 2.000 . 4.000 2.772 2.468 3.080 . 0 0 "[ . 1]" 1
64 1 15 LYS HA 1 16 GLU H 2.000 . 4.000 2.189 2.183 2.193 . 0 0 "[ . 1]" 1
65 1 15 LYS HA 1 20 HIS HA 2.000 . 3.000 2.487 2.313 2.648 . 0 0 "[ . 1]" 1
66 1 15 LYS HA 1 21 LEU H 2.000 . 4.000 3.069 2.801 3.348 . 0 0 "[ . 1]" 1
67 1 16 GLU C 1 19 VAL H 3.380 3.360 3.400 3.263 3.250 3.287 0.110 1 0 "[ . 1]" 1
68 1 16 GLU C 1 19 VAL N 4.350 4.330 4.370 4.217 4.192 4.239 0.138 1 0 "[ . 1]" 1
69 1 16 GLU H 1 16 GLU QB 2.000 . 5.000 2.517 2.433 2.668 . 0 0 "[ . 1]" 1
70 1 16 GLU H 1 16 GLU QG 2.000 . 5.000 3.648 2.833 4.175 . 0 0 "[ . 1]" 1
71 1 16 GLU H 1 19 VAL C 3.380 3.360 3.400 3.469 3.461 3.480 0.080 2 0 "[ . 1]" 1
72 1 16 GLU H 1 19 VAL H 2.000 . 4.000 3.550 3.241 3.830 . 0 0 "[ . 1]" 1
73 1 16 GLU H 1 19 VAL O 2.150 . 2.350 2.253 2.237 2.284 . 0 0 "[ . 1]" 1
74 1 16 GLU H 1 20 HIS HA 2.000 . 5.000 3.620 3.271 3.978 . 0 0 "[ . 1]" 1
75 1 16 GLU HA 1 17 GLY H 2.000 . 6.000 2.250 2.239 2.262 . 0 0 "[ . 1]" 1
76 1 16 GLU N 1 19 VAL C 4.350 4.330 4.370 4.381 4.360 4.395 0.025 6 0 "[ . 1]" 1
77 1 16 GLU N 1 19 VAL O 3.140 3.120 3.160 3.173 3.153 3.197 0.037 1 0 "[ . 1]" 1
78 1 16 GLU O 1 19 VAL H 2.150 . 2.350 2.205 2.178 2.224 . 0 0 "[ . 1]" 1
79 1 16 GLU O 1 19 VAL N 3.140 3.120 3.160 3.133 3.104 3.166 0.016 6 0 "[ . 1]" 1
80 1 17 GLY HA3 1 18 ARG H 2.000 . 3.000 2.193 2.155 2.256 . 0 0 "[ . 1]" 1
81 1 18 ARG H 1 18 ARG QB 2.000 . 4.000 2.815 2.529 3.265 . 0 0 "[ . 1]" 1
82 1 18 ARG H 1 19 VAL H 2.000 . 4.000 2.400 2.341 2.475 . 0 0 "[ . 1]" 1
83 1 19 VAL H 1 19 VAL HB 2.000 . 4.000 3.131 2.697 3.699 . 0 0 "[ . 1]" 1
84 1 19 VAL H 1 19 VAL QG 2.000 . 5.000 2.303 2.000 2.738 . 0 0 "[ . 1]" 1
85 1 19 VAL H 1 20 HIS H 2.000 . 4.000 4.233 4.228 4.238 0.238 8 0 "[ . 1]" 1
86 1 19 VAL HA 1 20 HIS H 2.000 . 3.000 2.140 2.135 2.147 . 0 0 "[ . 1]" 1
87 1 19 VAL HA 1 20 HIS HD2 2.000 . 5.000 5.007 5.003 5.010 0.010 2 0 "[ . 1]" 1
88 1 20 HIS C 1 33 ILE H 3.380 3.360 3.400 3.442 3.428 3.466 0.066 9 0 "[ . 1]" 1
89 1 20 HIS C 1 33 ILE N 4.350 4.330 4.370 4.292 4.278 4.316 0.052 3 0 "[ . 1]" 1
90 1 20 HIS H 1 20 HIS HA 2.000 . 3.000 2.948 2.947 2.949 . 0 0 "[ . 1]" 1
91 1 20 HIS H 1 20 HIS QB 2.000 . 4.000 2.679 2.674 2.685 . 0 0 "[ . 1]" 1
92 1 20 HIS H 1 20 HIS HE1 2.000 . 5.000 5.009 5.004 5.014 0.014 2 0 "[ . 1]" 1
93 1 20 HIS H 1 21 LEU H 2.000 . 5.000 4.458 4.455 4.460 . 0 0 "[ . 1]" 1
94 1 20 HIS H 1 33 ILE C 3.380 3.360 3.400 3.436 3.412 3.455 0.055 6 0 "[ . 1]" 1
95 1 20 HIS H 1 33 ILE H 2.000 . 5.000 4.039 3.792 4.414 . 0 0 "[ . 1]" 1
96 1 20 HIS H 1 33 ILE O 2.150 . 2.350 2.273 2.211 2.332 . 0 0 "[ . 1]" 1
97 1 20 HIS HA 1 20 HIS HD2 2.000 . 5.000 4.915 4.913 4.917 . 0 0 "[ . 1]" 1
98 1 20 HIS HA 1 20 HIS HE1 2.000 . 5.000 5.003 4.996 5.010 0.010 7 0 "[ . 1]" 1
99 1 20 HIS HA 1 21 LEU H 2.000 . 3.000 2.192 2.187 2.195 . 0 0 "[ . 1]" 1
100 1 20 HIS N 1 33 ILE C 4.350 4.330 4.370 4.303 4.278 4.326 0.052 1 0 "[ . 1]" 1
101 1 20 HIS N 1 33 ILE O 3.140 3.120 3.160 3.134 3.092 3.178 0.028 5 0 "[ . 1]" 1
102 1 20 HIS O 1 33 ILE H 2.150 . 2.350 2.224 2.205 2.252 . 0 0 "[ . 1]" 1
103 1 20 HIS O 1 33 ILE N 3.140 3.120 3.160 3.081 3.058 3.106 0.062 9 0 "[ . 1]" 1
104 1 21 LEU H 1 21 LEU HA 2.000 . 3.000 2.923 2.920 2.924 . 0 0 "[ . 1]" 1
105 1 21 LEU H 1 21 LEU QB 2.000 . 3.000 2.539 2.403 3.003 0.003 8 0 "[ . 1]" 1
106 1 21 LEU H 1 22 LEU H 2.000 . 4.000 4.256 4.250 4.259 0.259 4 0 "[ . 1]" 1
107 1 21 LEU HA 1 22 LEU H 2.000 . 3.000 2.171 2.161 2.188 . 0 0 "[ . 1]" 1
108 1 22 LEU C 1 31 ARG H 3.380 3.360 3.400 3.312 3.298 3.319 0.062 7 0 "[ . 1]" 1
109 1 22 LEU C 1 31 ARG N 4.350 4.330 4.370 4.277 4.269 4.289 0.061 3 0 "[ . 1]" 1
110 1 22 LEU H 1 23 LYS H 2.000 . 4.000 4.313 4.298 4.326 0.326 2 0 "[ . 1]" 1
111 1 22 LEU H 1 31 ARG C 3.380 3.360 3.400 3.441 3.430 3.454 0.054 3 0 "[ . 1]" 1
112 1 22 LEU H 1 31 ARG H 2.000 . 5.000 3.185 3.118 3.290 . 0 0 "[ . 1]" 1
113 1 22 LEU H 1 31 ARG O 2.150 . 2.350 2.267 2.250 2.283 . 0 0 "[ . 1]" 1
114 1 22 LEU H 1 33 ILE H 2.000 . 6.000 4.762 4.215 5.037 . 0 0 "[ . 1]" 1
115 1 22 LEU HA 1 23 LYS H 2.000 . 3.000 2.114 2.104 2.124 . 0 0 "[ . 1]" 1
116 1 22 LEU N 1 31 ARG C 4.350 4.330 4.370 4.389 4.381 4.403 0.033 3 0 "[ . 1]" 1
117 1 22 LEU N 1 31 ARG O 3.140 3.120 3.160 3.216 3.203 3.235 0.075 9 0 "[ . 1]" 1
118 1 22 LEU O 1 31 ARG H 2.150 . 2.350 2.180 2.155 2.202 . 0 0 "[ . 1]" 1
119 1 22 LEU O 1 31 ARG N 3.140 3.120 3.160 3.132 3.113 3.156 0.007 3 0 "[ . 1]" 1
120 1 23 LYS H 1 23 LYS HA 2.000 . 3.000 2.916 2.915 2.917 . 0 0 "[ . 1]" 1
121 1 23 LYS H 1 24 CYS H 2.000 . 4.000 4.270 4.264 4.273 0.273 9 0 "[ . 1]" 1
122 1 23 LYS HA 1 24 CYS H 2.000 . 3.000 2.162 2.147 2.188 . 0 0 "[ . 1]" 1
123 1 23 LYS HA 1 30 ILE HA 2.000 . 3.000 2.728 2.582 2.835 . 0 0 "[ . 1]" 1
124 1 23 LYS HA 1 31 ARG H 2.000 . 4.000 3.989 3.907 4.024 0.024 10 0 "[ . 1]" 1
125 1 24 CYS C 1 29 ALA H 3.380 3.360 3.400 3.408 3.380 3.435 0.035 4 0 "[ . 1]" 1
126 1 24 CYS C 1 29 ALA N 4.350 4.330 4.370 4.385 4.361 4.405 0.035 4 0 "[ . 1]" 1
127 1 24 CYS H 1 24 CYS HA 2.000 . 3.000 2.931 2.925 2.934 . 0 0 "[ . 1]" 1
128 1 24 CYS H 1 24 CYS HB2 2.000 . 3.000 2.993 2.763 3.067 0.067 4 0 "[ . 1]" 1
129 1 24 CYS H 1 24 CYS HB3 2.000 . 3.000 2.647 2.542 2.860 . 0 0 "[ . 1]" 1
130 1 24 CYS H 1 26 ALA H 2.000 . 6.000 6.255 6.241 6.268 0.268 4 0 "[ . 1]" 1
131 1 24 CYS H 1 27 CYS H 2.000 . 6.000 5.969 5.892 6.019 0.019 10 0 "[ . 1]" 1
132 1 24 CYS H 1 29 ALA C 3.380 3.360 3.400 3.347 3.327 3.382 0.033 6 0 "[ . 1]" 1
133 1 24 CYS H 1 29 ALA H 2.000 . 4.000 3.044 2.966 3.134 . 0 0 "[ . 1]" 1
134 1 24 CYS H 1 29 ALA O 2.150 . 2.350 2.209 2.194 2.240 . 0 0 "[ . 1]" 1
135 1 24 CYS H 1 30 ILE HA 2.000 . 4.000 3.911 3.734 3.976 . 0 0 "[ . 1]" 1
136 1 24 CYS H 1 31 ARG H 2.000 . 6.000 5.508 5.432 5.577 . 0 0 "[ . 1]" 1
137 1 24 CYS HA 1 25 MET H 2.000 . 3.000 2.175 2.163 2.185 . 0 0 "[ . 1]" 1
138 1 24 CYS QB 1 29 ALA H 2.000 . 4.000 2.814 2.733 2.927 . 0 0 "[ . 1]" 1
139 1 24 CYS HB3 1 27 CYS H 2.000 . 5.000 4.326 4.016 4.509 . 0 0 "[ . 1]" 1
140 1 24 CYS N 1 29 ALA C 4.350 4.330 4.370 4.262 4.253 4.270 0.077 8 0 "[ . 1]" 1
141 1 24 CYS N 1 29 ALA O 3.140 3.120 3.160 3.098 3.088 3.108 0.032 7 0 "[ . 1]" 1
142 1 24 CYS O 1 29 ALA H 2.150 . 2.350 2.379 2.372 2.391 0.041 10 0 "[ . 1]" 1
143 1 24 CYS O 1 29 ALA N 3.140 3.120 3.160 3.320 3.305 3.335 0.175 10 0 "[ . 1]" 1
144 1 25 MET H 1 25 MET QB 2.000 . 4.000 2.328 2.266 2.478 . 0 0 "[ . 1]" 1
145 1 25 MET HA 1 26 ALA H 2.000 . 4.000 2.014 1.995 2.029 . 0 0 "[ . 1]" 1
146 1 25 MET HA 1 28 GLY QA 2.000 . 4.000 3.421 3.263 3.516 . 0 0 "[ . 1]" 1
147 1 26 ALA H 1 26 ALA MB 2.000 . 4.000 3.144 3.130 3.158 . 0 0 "[ . 1]" 1
148 1 26 ALA H 1 27 CYS H 2.000 . 4.000 2.528 2.398 2.760 . 0 0 "[ . 1]" 1
149 1 26 ALA H 1 28 GLY H 2.000 . 5.000 2.384 2.282 2.457 . 0 0 "[ . 1]" 1
150 1 26 ALA H 1 29 ALA H 2.000 . 5.000 4.961 4.894 5.017 0.017 5 0 "[ . 1]" 1
151 1 26 ALA HA 1 27 CYS H 2.000 . 4.000 3.487 3.477 3.510 . 0 0 "[ . 1]" 1
152 1 26 ALA MB 1 27 CYS H 2.000 . 4.000 2.550 2.441 2.610 . 0 0 "[ . 1]" 1
153 1 27 CYS H 1 27 CYS HA 2.000 . 3.000 2.939 2.925 2.943 . 0 0 "[ . 1]" 1
154 1 27 CYS H 1 28 GLY H 2.000 . 3.000 1.963 1.891 2.095 . 0 0 "[ . 1]" 1
155 1 27 CYS H 1 28 GLY HA2 2.000 . 5.000 4.213 4.146 4.351 . 0 0 "[ . 1]" 1
156 1 27 CYS H 1 28 GLY HA3 2.000 . 5.000 4.650 4.587 4.765 . 0 0 "[ . 1]" 1
157 1 27 CYS H 1 29 ALA H 2.000 . 5.000 4.224 4.156 4.378 . 0 0 "[ . 1]" 1
158 1 27 CYS HA 1 28 GLY H 2.000 . 4.000 3.379 3.357 3.397 . 0 0 "[ . 1]" 1
159 1 27 CYS QB 1 28 GLY H 2.000 . 5.000 3.661 3.253 3.789 . 0 0 "[ . 1]" 1
160 1 28 GLY H 1 29 ALA H 2.000 . 3.000 3.015 3.006 3.023 0.023 7 0 "[ . 1]" 1
161 1 28 GLY QA 1 29 ALA H 2.000 . 4.000 2.466 2.454 2.486 . 0 0 "[ . 1]" 1
162 1 29 ALA H 1 29 ALA HA 2.000 . 3.000 2.967 2.965 2.970 . 0 0 "[ . 1]" 1
163 1 29 ALA H 1 29 ALA MB 2.000 . 3.000 2.397 2.329 2.525 . 0 0 "[ . 1]" 1
164 1 29 ALA H 1 30 ILE H 2.000 . 5.000 4.435 4.409 4.450 . 0 0 "[ . 1]" 1
165 1 29 ALA HA 1 30 ILE H 2.000 . 3.000 2.205 2.195 2.214 . 0 0 "[ . 1]" 1
166 1 30 ILE H 1 30 ILE HA 2.000 . 3.000 2.956 2.954 2.957 . 0 0 "[ . 1]" 1
167 1 30 ILE HA 1 30 ILE HB 2.000 . 3.000 2.597 2.461 3.019 0.019 8 0 "[ . 1]" 1
168 1 30 ILE HA 1 30 ILE MD 2.000 . 7.000 3.809 3.281 4.172 . 0 0 "[ . 1]" 1
169 1 30 ILE HA 1 31 ARG H 2.000 . 3.000 2.185 2.177 2.193 . 0 0 "[ . 1]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, May 20, 2024 9:40:31 PM GMT (wattos1)