NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
393263 |
1qjl   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1qjl
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 187
_Distance_constraint_stats_list.Viol_count 37
_Distance_constraint_stats_list.Viol_total 1.096
_Distance_constraint_stats_list.Viol_max 0.173
_Distance_constraint_stats_list.Viol_rms 0.0196
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0059
_Distance_constraint_stats_list.Viol_average_violations_only 0.0296
_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 ILE 0.321 0.173 1 0 "[ ]"
1 2 CYS 0.157 0.095 1 0 "[ ]"
1 3 THR 0.014 0.014 1 0 "[ ]"
1 4 ASN 0.071 0.033 1 0 "[ ]"
1 5 ALA 0.020 0.016 1 0 "[ ]"
1 6 ALA 0.124 0.079 1 0 "[ ]"
1 7 CYS 0.129 0.079 1 0 "[ ]"
1 8 LYS 0.046 0.046 1 0 "[ ]"
1 9 CYS 0.199 0.069 1 0 "[ ]"
1 10 ALA 0.092 0.069 1 0 "[ ]"
1 11 ASN 0.000 0.000 . 0 "[ ]"
1 12 GLY 0.000 0.000 . 0 "[ ]"
1 13 CYS 0.002 0.002 1 0 "[ ]"
1 14 LYS 0.035 0.023 1 0 "[ ]"
1 15 CYS 0.035 0.028 1 0 "[ ]"
1 16 GLY 0.000 0.000 . 0 "[ ]"
1 17 SER 0.000 0.000 . 0 "[ ]"
1 18 GLY 0.000 0.000 . 0 "[ ]"
1 19 CYS 0.031 0.028 1 0 "[ ]"
1 20 SER 0.147 0.089 1 0 "[ ]"
1 21 CYS 0.129 0.048 1 0 "[ ]"
1 22 THR 0.036 0.036 1 0 "[ ]"
1 23 GLU 0.009 0.009 1 0 "[ ]"
1 24 GLY 0.000 0.000 . 0 "[ ]"
1 25 ASN 0.000 0.000 . 0 "[ ]"
1 26 CYS 0.008 0.004 1 0 "[ ]"
1 27 ALA 0.018 0.018 1 0 "[ ]"
1 28 CYS 0.036 0.018 1 0 "[ ]"
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 ILE HA 1 1 ILE HB . . 2.820 2.993 2.993 2.993 0.173 1 0 "[ ]" 1
2 1 1 ILE HA 1 1 ILE QG . . 3.990 2.662 2.662 2.662 . 0 0 "[ ]" 1
3 1 1 ILE HA 1 2 CYS H . . 2.580 2.675 2.675 2.675 0.095 1 0 "[ ]" 1
4 1 1 ILE HB 1 2 CYS H . . 2.870 2.923 2.923 2.923 0.053 1 0 "[ ]" 1
5 1 1 ILE MD 1 2 CYS H . . 6.030 4.320 4.320 4.320 . 0 0 "[ ]" 1
6 1 1 ILE MG 1 2 CYS H . . 5.560 1.829 1.829 1.829 . 0 0 "[ ]" 1
7 1 2 CYS H 1 2 CYS HB2 . . 2.630 2.602 2.602 2.602 . 0 0 "[ ]" 1
8 1 2 CYS H 1 2 CYS HB3 . . 2.480 2.420 2.420 2.420 . 0 0 "[ ]" 1
9 1 2 CYS H 1 16 GLY HA2 . . 5.000 4.997 4.997 4.997 . 0 0 "[ ]" 1
10 1 2 CYS H 1 16 GLY HA3 . . 5.000 3.370 3.370 3.370 . 0 0 "[ ]" 1
11 1 2 CYS HA 1 2 CYS HB2 . . 2.560 2.366 2.366 2.366 . 0 0 "[ ]" 1
12 1 2 CYS HA 1 3 THR H . . 2.400 2.226 2.226 2.226 . 0 0 "[ ]" 1
13 1 2 CYS HA 1 4 ASN H . . 3.700 3.427 3.427 3.427 . 0 0 "[ ]" 1
14 1 2 CYS HB2 1 3 THR H . . 5.000 4.376 4.376 4.376 . 0 0 "[ ]" 1
15 1 2 CYS SG 1 7 CYS SG . 4.050 4.450 4.046 4.046 4.046 0.004 1 0 "[ ]" 1
16 1 2 CYS SG 1 15 CYS SG . 4.050 4.450 4.454 4.454 4.454 0.004 1 0 "[ ]" 1
17 1 2 CYS SG 1 19 CYS SG . 4.050 4.450 4.049 4.049 4.049 0.001 1 0 "[ ]" 1
18 1 3 THR H 1 3 THR HB . . 3.540 2.184 2.184 2.184 . 0 0 "[ ]" 1
19 1 3 THR H 1 4 ASN H . . 2.630 2.382 2.382 2.382 . 0 0 "[ ]" 1
20 1 3 THR HB 1 4 ASN H . . 3.260 3.274 3.274 3.274 0.014 1 0 "[ ]" 1
21 1 3 THR MG 1 4 ASN H . . 6.030 3.756 3.756 3.756 . 0 0 "[ ]" 1
22 1 4 ASN H 1 4 ASN HB2 . . 2.790 2.346 2.346 2.346 . 0 0 "[ ]" 1
23 1 4 ASN H 1 4 ASN HB3 . . 2.580 2.613 2.613 2.613 0.033 1 0 "[ ]" 1
24 1 4 ASN H 1 5 ALA H . . 5.000 4.292 4.292 4.292 . 0 0 "[ ]" 1
25 1 4 ASN HA 1 5 ALA H . . 2.580 2.302 2.302 2.302 . 0 0 "[ ]" 1
26 1 4 ASN HA 1 5 ALA MB . . 6.030 4.044 4.044 4.044 . 0 0 "[ ]" 1
27 1 4 ASN HA 1 6 ALA H . . 5.000 3.177 3.177 3.177 . 0 0 "[ ]" 1
28 1 4 ASN HB2 1 5 ALA H . . 5.000 4.647 4.647 4.647 . 0 0 "[ ]" 1
29 1 4 ASN HB3 1 6 ALA H . . 3.990 3.871 3.871 3.871 . 0 0 "[ ]" 1
30 1 4 ASN HB3 1 6 ALA MB . . 6.030 4.374 4.374 4.374 . 0 0 "[ ]" 1
31 1 4 ASN HB3 1 7 CYS H . . 3.620 3.644 3.644 3.644 0.024 1 0 "[ ]" 1
32 1 4 ASN QD 1 6 ALA MB . . 5.900 2.433 2.433 2.433 . 0 0 "[ ]" 1
33 1 4 ASN QD 1 21 CYS H . . 5.510 3.320 3.320 3.320 . 0 0 "[ ]" 1
34 1 4 ASN QD 1 21 CYS QB . . 5.120 1.804 1.804 1.804 . 0 0 "[ ]" 1
35 1 4 ASN QD 1 22 THR HA . . 5.870 3.684 3.684 3.684 . 0 0 "[ ]" 1
36 1 4 ASN QD 1 22 THR MG . . 6.900 4.712 4.712 4.712 . 0 0 "[ ]" 1
37 1 4 ASN HD21 1 6 ALA MB . . 6.030 3.733 3.733 3.733 . 0 0 "[ ]" 1
38 1 4 ASN HD21 1 21 CYS QB . . 5.380 2.035 2.035 2.035 . 0 0 "[ ]" 1
39 1 4 ASN HD22 1 6 ALA MB . . 6.030 2.466 2.466 2.466 . 0 0 "[ ]" 1
40 1 4 ASN HD22 1 21 CYS QB . . 5.380 2.014 2.014 2.014 . 0 0 "[ ]" 1
41 1 5 ALA H 1 5 ALA HA . . 2.820 2.836 2.836 2.836 0.016 1 0 "[ ]" 1
42 1 5 ALA H 1 6 ALA H . . 2.890 2.563 2.563 2.563 . 0 0 "[ ]" 1
43 1 5 ALA HA 1 6 ALA H . . 3.390 3.393 3.393 3.393 0.003 1 0 "[ ]" 1
44 1 5 ALA HA 1 7 CYS H . . 3.650 3.172 3.172 3.172 . 0 0 "[ ]" 1
45 1 5 ALA MB 1 7 CYS H . . 6.030 4.200 4.200 4.200 . 0 0 "[ ]" 1
46 1 6 ALA H 1 6 ALA HA . . 2.820 2.861 2.861 2.861 0.041 1 0 "[ ]" 1
47 1 6 ALA H 1 7 CYS H . . 2.710 2.535 2.535 2.535 . 0 0 "[ ]" 1
48 1 6 ALA HA 1 7 CYS H . . 3.260 3.339 3.339 3.339 0.079 1 0 "[ ]" 1
49 1 6 ALA HA 1 23 GLU QG . . 5.880 5.282 5.282 5.282 . 0 0 "[ ]" 1
50 1 6 ALA HA 1 24 GLY H . . 5.000 4.190 4.190 4.190 . 0 0 "[ ]" 1
51 1 6 ALA MB 1 7 CYS HA . . 6.030 3.988 3.988 3.988 . 0 0 "[ ]" 1
52 1 6 ALA MB 1 21 CYS QB . . 6.570 3.351 3.351 3.351 . 0 0 "[ ]" 1
53 1 6 ALA MB 1 22 THR H . . 6.030 4.250 4.250 4.250 . 0 0 "[ ]" 1
54 1 6 ALA MB 1 22 THR HA . . 5.270 4.390 4.390 4.390 . 0 0 "[ ]" 1
55 1 6 ALA MB 1 23 GLU H . . 6.030 4.298 4.298 4.298 . 0 0 "[ ]" 1
56 1 6 ALA MB 1 23 GLU HA . . 4.210 2.282 2.282 2.282 . 0 0 "[ ]" 1
57 1 6 ALA MB 1 23 GLU HB3 . . 6.030 4.790 4.790 4.790 . 0 0 "[ ]" 1
58 1 6 ALA MB 1 24 GLY H . . 6.030 1.924 1.924 1.924 . 0 0 "[ ]" 1
59 1 6 ALA MB 1 25 ASN H . . 6.030 3.074 3.074 3.074 . 0 0 "[ ]" 1
60 1 6 ALA MB 1 26 CYS HA . . 6.030 4.530 4.530 4.530 . 0 0 "[ ]" 1
61 1 6 ALA MB 1 26 CYS HB2 . . 6.030 3.311 3.311 3.311 . 0 0 "[ ]" 1
62 1 7 CYS H 1 7 CYS HB2 . . 3.540 2.250 2.250 2.250 . 0 0 "[ ]" 1
63 1 7 CYS H 1 7 CYS QB . . 2.960 2.225 2.225 2.225 . 0 0 "[ ]" 1
64 1 7 CYS H 1 7 CYS HB3 . . 3.540 3.502 3.502 3.502 . 0 0 "[ ]" 1
65 1 7 CYS HA 1 8 LYS H . . 2.740 2.272 2.272 2.272 . 0 0 "[ ]" 1
66 1 7 CYS HA 1 26 CYS HB2 . . 5.000 2.656 2.656 2.656 . 0 0 "[ ]" 1
67 1 7 CYS QB 1 9 CYS H . . 4.350 3.151 3.151 3.151 . 0 0 "[ ]" 1
68 1 7 CYS SG 1 15 CYS SG . 4.050 4.450 4.366 4.366 4.366 . 0 0 "[ ]" 1
69 1 7 CYS SG 1 19 CYS SG . 4.050 4.450 4.049 4.049 4.049 0.001 1 0 "[ ]" 1
70 1 7 CYS SG 1 21 CYS SG . 4.050 4.450 4.037 4.037 4.037 0.013 1 0 "[ ]" 1
71 1 7 CYS SG 1 26 CYS SG . 4.050 4.450 4.328 4.328 4.328 . 0 0 "[ ]" 1
72 1 7 CYS SG 1 28 CYS SG . 4.050 4.450 4.457 4.457 4.457 0.007 1 0 "[ ]" 1
73 1 8 LYS H 1 8 LYS QD . . 4.580 4.063 4.063 4.063 . 0 0 "[ ]" 1
74 1 8 LYS H 1 26 CYS HB3 . . 4.120 4.093 4.093 4.093 . 0 0 "[ ]" 1
75 1 8 LYS HA 1 8 LYS QD . . 4.470 2.030 2.030 2.030 . 0 0 "[ ]" 1
76 1 8 LYS HA 1 9 CYS H . . 2.500 2.546 2.546 2.546 0.046 1 0 "[ ]" 1
77 1 8 LYS QB 1 9 CYS H . . 5.880 4.080 4.080 4.080 . 0 0 "[ ]" 1
78 1 8 LYS QD 1 9 CYS H . . 5.880 4.261 4.261 4.261 . 0 0 "[ ]" 1
79 1 9 CYS H 1 9 CYS HB2 . . 3.260 2.932 2.932 2.932 . 0 0 "[ ]" 1
80 1 9 CYS H 1 9 CYS HB3 . . 3.620 3.673 3.673 3.673 0.053 1 0 "[ ]" 1
81 1 9 CYS HA 1 9 CYS HB3 . . 2.580 2.285 2.285 2.285 . 0 0 "[ ]" 1
82 1 9 CYS HA 1 10 ALA H . . 2.530 2.599 2.599 2.599 0.069 1 0 "[ ]" 1
83 1 9 CYS HB2 1 10 ALA H . . 2.920 2.943 2.943 2.943 0.023 1 0 "[ ]" 1
84 1 9 CYS HB3 1 10 ALA H . . 3.260 2.620 2.620 2.620 . 0 0 "[ ]" 1
85 1 9 CYS SG 1 13 CYS SG . 4.050 4.450 4.048 4.048 4.048 0.002 1 0 "[ ]" 1
86 1 9 CYS SG 1 15 CYS SG . 4.050 4.450 4.440 4.440 4.440 . 0 0 "[ ]" 1
87 1 9 CYS SG 1 28 CYS SG . 4.050 4.450 4.044 4.044 4.044 0.006 1 0 "[ ]" 1
88 1 10 ALA H 1 13 CYS QB . . 5.880 3.047 3.047 3.047 . 0 0 "[ ]" 1
89 1 10 ALA HA 1 11 ASN H . . 2.760 2.399 2.399 2.399 . 0 0 "[ ]" 1
90 1 10 ALA MB 1 11 ASN QB . . 6.900 3.733 3.733 3.733 . 0 0 "[ ]" 1
91 1 10 ALA MB 1 13 CYS H . . 6.030 4.541 4.541 4.541 . 0 0 "[ ]" 1
92 1 11 ASN H 1 11 ASN QB . . 3.850 2.055 2.055 2.055 . 0 0 "[ ]" 1
93 1 11 ASN HA 1 12 GLY H . . 2.580 2.297 2.297 2.297 . 0 0 "[ ]" 1
94 1 11 ASN HA 1 13 CYS H . . 3.960 3.941 3.941 3.941 . 0 0 "[ ]" 1
95 1 12 GLY H 1 13 CYS H . . 3.180 2.108 2.108 2.108 . 0 0 "[ ]" 1
96 1 13 CYS H 1 13 CYS HB2 . . 2.970 2.203 2.203 2.203 . 0 0 "[ ]" 1
97 1 13 CYS H 1 13 CYS QB . . 2.690 2.134 2.134 2.134 . 0 0 "[ ]" 1
98 1 13 CYS H 1 13 CYS HB3 . . 2.970 2.856 2.856 2.856 . 0 0 "[ ]" 1
99 1 13 CYS HA 1 14 LYS H . . 2.430 2.306 2.306 2.306 . 0 0 "[ ]" 1
100 1 13 CYS HA 1 15 CYS H . . 4.140 4.117 4.117 4.117 . 0 0 "[ ]" 1
101 1 13 CYS HB2 1 14 LYS H . . 5.000 4.338 4.338 4.338 . 0 0 "[ ]" 1
102 1 13 CYS HB3 1 14 LYS H . . 5.000 3.754 3.754 3.754 . 0 0 "[ ]" 1
103 1 13 CYS SG 1 15 CYS SG . 4.050 4.450 4.400 4.400 4.400 . 0 0 "[ ]" 1
104 1 13 CYS SG 1 28 CYS SG . 4.050 4.450 4.450 4.450 4.450 . 0 0 "[ ]" 1
105 1 14 LYS H 1 14 LYS HA . . 2.890 2.913 2.913 2.913 0.023 1 0 "[ ]" 1
106 1 14 LYS H 1 14 LYS HB2 . . 3.180 2.730 2.730 2.730 . 0 0 "[ ]" 1
107 1 14 LYS H 1 14 LYS HB3 . . 2.740 2.489 2.489 2.489 . 0 0 "[ ]" 1
108 1 14 LYS H 1 14 LYS QG . . 4.500 3.972 3.972 3.972 . 0 0 "[ ]" 1
109 1 14 LYS HA 1 14 LYS HB2 . . 2.740 2.480 2.480 2.480 . 0 0 "[ ]" 1
110 1 14 LYS HA 1 14 LYS HB3 . . 3.020 3.033 3.033 3.033 0.013 1 0 "[ ]" 1
111 1 14 LYS HA 1 16 GLY H . . 3.830 3.828 3.828 3.828 . 0 0 "[ ]" 1
112 1 14 LYS QE 1 16 GLY H . . 5.800 4.713 4.713 4.713 . 0 0 "[ ]" 1
113 1 15 CYS H 1 15 CYS HB2 . . 2.480 2.093 2.093 2.093 . 0 0 "[ ]" 1
114 1 15 CYS H 1 15 CYS HB3 . . 3.390 3.271 3.271 3.271 . 0 0 "[ ]" 1
115 1 15 CYS HA 1 15 CYS HB2 . . 2.890 2.893 2.893 2.893 0.003 1 0 "[ ]" 1
116 1 15 CYS HA 1 16 GLY H . . 3.260 2.604 2.604 2.604 . 0 0 "[ ]" 1
117 1 15 CYS HA 1 17 SER H . . 5.000 3.870 3.870 3.870 . 0 0 "[ ]" 1
118 1 15 CYS HB2 1 16 GLY H . . 5.000 4.655 4.655 4.655 . 0 0 "[ ]" 1
119 1 15 CYS HB3 1 16 GLY H . . 5.000 4.406 4.406 4.406 . 0 0 "[ ]" 1
120 1 15 CYS HB3 1 19 CYS HA . . 5.000 5.028 5.028 5.028 0.028 1 0 "[ ]" 1
121 1 15 CYS SG 1 19 CYS SG . 4.050 4.450 4.450 4.450 4.450 0.000 1 0 "[ ]" 1
122 1 15 CYS SG 1 28 CYS SG . 4.050 4.450 4.103 4.103 4.103 . 0 0 "[ ]" 1
123 1 16 GLY QA 1 17 SER H . . 3.230 2.812 2.812 2.812 . 0 0 "[ ]" 1
124 1 16 GLY QA 1 18 GLY H . . 5.880 4.323 4.323 4.323 . 0 0 "[ ]" 1
125 1 17 SER HA 1 18 GLY H . . 2.970 2.768 2.768 2.768 . 0 0 "[ ]" 1
126 1 19 CYS H 1 19 CYS HB2 . . 2.790 2.518 2.518 2.518 . 0 0 "[ ]" 1
127 1 19 CYS H 1 19 CYS HB3 . . 2.790 2.591 2.591 2.591 . 0 0 "[ ]" 1
128 1 19 CYS HA 1 19 CYS QB . . 2.720 2.411 2.411 2.411 . 0 0 "[ ]" 1
129 1 19 CYS HA 1 20 SER H . . 2.500 2.342 2.342 2.342 . 0 0 "[ ]" 1
130 1 19 CYS HB2 1 20 SER H . . 5.000 4.180 4.180 4.180 . 0 0 "[ ]" 1
131 1 19 CYS HB3 1 20 SER H . . 5.000 3.855 3.855 3.855 . 0 0 "[ ]" 1
132 1 20 SER H 1 20 SER HB2 . . 3.650 2.860 2.860 2.860 . 0 0 "[ ]" 1
133 1 20 SER H 1 20 SER HB3 . . 3.650 3.557 3.557 3.557 . 0 0 "[ ]" 1
134 1 20 SER H 1 21 CYS H . . 2.790 2.817 2.817 2.817 0.027 1 0 "[ ]" 1
135 1 20 SER HA 1 20 SER HB2 . . 2.820 2.909 2.909 2.909 0.089 1 0 "[ ]" 1
136 1 20 SER HA 1 20 SER HB3 . . 2.820 2.852 2.852 2.852 0.032 1 0 "[ ]" 1
137 1 20 SER HB2 1 21 CYS H . . 5.000 4.643 4.643 4.643 . 0 0 "[ ]" 1
138 1 20 SER HB3 1 21 CYS H . . 5.000 4.371 4.371 4.371 . 0 0 "[ ]" 1
139 1 21 CYS H 1 21 CYS HA . . 2.840 2.888 2.888 2.888 0.048 1 0 "[ ]" 1
140 1 21 CYS H 1 21 CYS QB . . 3.800 2.855 2.855 2.855 . 0 0 "[ ]" 1
141 1 21 CYS H 1 22 THR H . . 5.000 4.360 4.360 4.360 . 0 0 "[ ]" 1
142 1 21 CYS H 1 22 THR MG . . 6.030 4.151 4.151 4.151 . 0 0 "[ ]" 1
143 1 21 CYS HA 1 22 THR H . . 2.400 2.436 2.436 2.436 0.036 1 0 "[ ]" 1
144 1 21 CYS HA 1 26 CYS HA . . 5.000 3.550 3.550 3.550 . 0 0 "[ ]" 1
145 1 21 CYS HA 1 27 ALA H . . 5.000 4.005 4.005 4.005 . 0 0 "[ ]" 1
146 1 21 CYS QB 1 22 THR H . . 3.800 2.598 2.598 2.598 . 0 0 "[ ]" 1
147 1 21 CYS SG 1 26 CYS SG . 4.050 4.450 4.047 4.047 4.047 0.003 1 0 "[ ]" 1
148 1 21 CYS SG 1 28 CYS SG . 4.050 4.450 4.049 4.049 4.049 0.001 1 0 "[ ]" 1
149 1 22 THR H 1 22 THR HB . . 3.910 3.708 3.708 3.708 . 0 0 "[ ]" 1
150 1 22 THR H 1 25 ASN H . . 4.250 3.197 3.197 3.197 . 0 0 "[ ]" 1
151 1 22 THR H 1 25 ASN QB . . 4.180 2.199 2.199 2.199 . 0 0 "[ ]" 1
152 1 22 THR H 1 26 CYS H . . 5.000 4.963 4.963 4.963 . 0 0 "[ ]" 1
153 1 22 THR HA 1 22 THR HB . . 2.400 2.351 2.351 2.351 . 0 0 "[ ]" 1
154 1 22 THR HA 1 23 GLU H . . 2.920 2.672 2.672 2.672 . 0 0 "[ ]" 1
155 1 22 THR HB 1 23 GLU H . . 2.530 2.470 2.470 2.470 . 0 0 "[ ]" 1
156 1 22 THR HB 1 25 ASN QD . . 5.870 3.838 3.838 3.838 . 0 0 "[ ]" 1
157 1 22 THR MG 1 23 GLU H . . 6.030 3.964 3.964 3.964 . 0 0 "[ ]" 1
158 1 22 THR MG 1 25 ASN QB . . 7.030 2.073 2.073 2.073 . 0 0 "[ ]" 1
159 1 22 THR MG 1 25 ASN QD . . 6.900 3.517 3.517 3.517 . 0 0 "[ ]" 1
160 1 23 GLU H 1 23 GLU HB2 . . 2.660 2.669 2.669 2.669 0.009 1 0 "[ ]" 1
161 1 23 GLU H 1 23 GLU HB3 . . 2.560 2.355 2.355 2.355 . 0 0 "[ ]" 1
162 1 23 GLU H 1 24 GLY H . . 5.000 4.109 4.109 4.109 . 0 0 "[ ]" 1
163 1 23 GLU HA 1 24 GLY H . . 2.580 2.327 2.327 2.327 . 0 0 "[ ]" 1
164 1 23 GLU HB2 1 24 GLY H . . 5.000 4.619 4.619 4.619 . 0 0 "[ ]" 1
165 1 23 GLU HB3 1 24 GLY H . . 5.000 4.604 4.604 4.604 . 0 0 "[ ]" 1
166 1 23 GLU QG 1 24 GLY H . . 5.820 3.605 3.605 3.605 . 0 0 "[ ]" 1
167 1 24 GLY H 1 24 GLY QA . . 2.650 2.300 2.300 2.300 . 0 0 "[ ]" 1
168 1 24 GLY H 1 25 ASN H . . 5.000 1.970 1.970 1.970 . 0 0 "[ ]" 1
169 1 24 GLY HA2 1 25 ASN H . . 3.600 3.496 3.496 3.496 . 0 0 "[ ]" 1
170 1 24 GLY HA3 1 25 ASN H . . 3.600 3.180 3.180 3.180 . 0 0 "[ ]" 1
171 1 25 ASN HA 1 26 CYS H . . 3.360 2.361 2.361 2.361 . 0 0 "[ ]" 1
172 1 25 ASN QB 1 27 ALA H . . 6.000 5.075 5.075 5.075 . 0 0 "[ ]" 1
173 1 26 CYS H 1 26 CYS HB2 . . 3.260 3.220 3.220 3.220 . 0 0 "[ ]" 1
174 1 26 CYS H 1 26 CYS HB3 . . 2.660 2.458 2.458 2.458 . 0 0 "[ ]" 1
175 1 26 CYS H 1 27 ALA H . . 5.000 4.313 4.313 4.313 . 0 0 "[ ]" 1
176 1 26 CYS H 1 27 ALA HA . . 5.000 4.922 4.922 4.922 . 0 0 "[ ]" 1
177 1 26 CYS HA 1 26 CYS HB2 . . 2.710 2.352 2.352 2.352 . 0 0 "[ ]" 1
178 1 26 CYS HA 1 27 ALA H . . 2.400 2.222 2.222 2.222 . 0 0 "[ ]" 1
179 1 26 CYS HA 1 27 ALA MB . . 6.030 3.949 3.949 3.949 . 0 0 "[ ]" 1
180 1 26 CYS HA 1 28 CYS H . . 5.000 4.284 4.284 4.284 . 0 0 "[ ]" 1
181 1 26 CYS HB2 1 27 ALA H . . 5.000 4.255 4.255 4.255 . 0 0 "[ ]" 1
182 1 26 CYS HB3 1 27 ALA H . . 5.000 4.479 4.479 4.479 . 0 0 "[ ]" 1
183 1 26 CYS HB3 1 28 CYS H . . 5.000 4.874 4.874 4.874 . 0 0 "[ ]" 1
184 1 26 CYS SG 1 28 CYS SG . 4.050 4.450 4.454 4.454 4.454 0.004 1 0 "[ ]" 1
185 1 27 ALA H 1 28 CYS H . . 2.970 2.988 2.988 2.988 0.018 1 0 "[ ]" 1
186 1 27 ALA HA 1 28 CYS H . . 3.150 2.627 2.627 2.627 . 0 0 "[ ]" 1
187 1 27 ALA MB 1 28 CYS HA . . 6.030 4.358 4.358 4.358 . 0 0 "[ ]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, July 4, 2024 4:39:02 AM GMT (wattos1)