NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404217 |
1wz5   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wz5
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 210
_Distance_constraint_stats_list.Viol_count 33
_Distance_constraint_stats_list.Viol_total 2.253
_Distance_constraint_stats_list.Viol_max 0.218
_Distance_constraint_stats_list.Viol_rms 0.0321
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0107
_Distance_constraint_stats_list.Viol_average_violations_only 0.0683
_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 LEU 0.022 0.022 1 0 "[ ]"
1 2 VAL 0.087 0.052 1 0 "[ ]"
1 3 LYS 0.052 0.052 1 0 "[ ]"
1 4 CYS 0.099 0.099 1 0 "[ ]"
1 5 ARG 0.355 0.157 1 0 "[ ]"
1 6 GLY 0.276 0.157 1 0 "[ ]"
1 7 THR 0.221 0.117 1 0 "[ ]"
1 8 SER 0.028 0.028 1 0 "[ ]"
1 9 ASP 0.199 0.091 1 0 "[ ]"
1 10 CYS 0.081 0.058 1 0 "[ ]"
1 11 GLY 0.003 0.003 1 0 "[ ]"
1 12 ARG 0.308 0.146 1 0 "[ ]"
1 13 PRO 0.146 0.146 1 0 "[ ]"
1 14 CYS 0.170 0.115 1 0 "[ ]"
1 15 GLN 0.186 0.108 1 0 "[ ]"
1 16 GLN 0.000 0.000 . 0 "[ ]"
1 17 GLN 0.033 0.033 1 0 "[ ]"
1 18 THR 0.108 0.108 1 0 "[ ]"
1 21 PRO 0.000 0.000 . 0 "[ ]"
1 22 ASN 0.000 0.000 . 0 "[ ]"
1 23 SER 0.059 0.059 1 0 "[ ]"
1 24 LYS 0.082 0.055 1 0 "[ ]"
1 25 CYS 0.015 0.015 1 0 "[ ]"
1 26 ILE 0.102 0.102 1 0 "[ ]"
1 27 ASN 0.000 0.000 . 0 "[ ]"
1 28 ARG 0.218 0.218 1 0 "[ ]"
1 29 MET 0.147 0.102 1 0 "[ ]"
1 30 CYS 0.061 0.045 1 0 "[ ]"
1 31 LYS 0.113 0.055 1 0 "[ ]"
1 32 CYS 0.216 0.126 1 0 "[ ]"
1 33 TYR 0.048 0.033 1 0 "[ ]"
1 34 GLY 0.033 0.033 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 LEU HA 1 1 LEU HG 3.000 . 3.000 2.658 2.658 2.658 . 0 0 "[ ]" 1
2 1 1 LEU HA 1 2 VAL H 2.400 . 2.400 2.422 2.422 2.422 0.022 1 0 "[ ]" 1
3 1 1 LEU QB 1 2 VAL H 4.900 . 4.900 4.030 4.030 4.030 . 0 0 "[ ]" 1
4 1 1 LEU QD 1 2 VAL H 8.400 . 8.400 4.269 4.269 4.269 . 0 0 "[ ]" 1
5 1 1 LEU QD 1 13 PRO HG2 7.100 . 7.100 4.545 4.545 4.545 . 0 0 "[ ]" 1
6 1 1 LEU QD 1 13 PRO QG 6.500 . 6.500 4.293 4.293 4.293 . 0 0 "[ ]" 1
7 1 1 LEU QD 1 13 PRO HG3 7.100 . 7.100 5.278 5.278 5.278 . 0 0 "[ ]" 1
8 1 1 LEU HG 1 2 VAL H 4.500 . 4.500 4.075 4.075 4.075 . 0 0 "[ ]" 1
9 1 2 VAL H 1 2 VAL HB 2.900 . 2.900 2.913 2.913 2.913 0.013 1 0 "[ ]" 1
10 1 2 VAL H 1 3 LYS H 4.400 . 4.400 3.074 3.074 3.074 . 0 0 "[ ]" 1
11 1 2 VAL HA 1 3 LYS H 2.400 . 2.400 2.452 2.452 2.452 0.052 1 0 "[ ]" 1
12 1 2 VAL QG 1 3 LYS H 7.500 . 7.500 3.577 3.577 3.577 . 0 0 "[ ]" 1
13 1 3 LYS H 1 3 LYS QB 3.900 . 3.900 2.918 2.918 2.918 . 0 0 "[ ]" 1
14 1 3 LYS H 1 3 LYS QD 5.700 . 5.700 5.089 5.089 5.089 . 0 0 "[ ]" 1
15 1 3 LYS H 1 3 LYS QE 7.000 . 7.000 5.818 5.818 5.818 . 0 0 "[ ]" 1
16 1 3 LYS HA 1 3 LYS QE 6.300 . 6.300 4.528 4.528 4.528 . 0 0 "[ ]" 1
17 1 3 LYS QB 1 4 CYS H 5.000 . 5.000 4.009 4.009 4.009 . 0 0 "[ ]" 1
18 1 3 LYS QD 1 4 CYS H 7.000 . 7.000 5.717 5.717 5.717 . 0 0 "[ ]" 1
19 1 3 LYS QG 1 4 CYS H 5.800 . 5.800 4.092 4.092 4.092 . 0 0 "[ ]" 1
20 1 4 CYS CB 1 25 CYS SG 3.100 . 3.100 3.040 3.040 3.040 . 0 0 "[ ]" 1
21 1 4 CYS H 1 4 CYS HB2 3.400 . 3.400 2.996 2.996 2.996 . 0 0 "[ ]" 1
22 1 4 CYS H 1 4 CYS QB 3.100 . 3.100 2.807 2.807 2.807 . 0 0 "[ ]" 1
23 1 4 CYS H 1 4 CYS HB3 3.400 . 3.400 3.388 3.388 3.388 . 0 0 "[ ]" 1
24 1 4 CYS HA 1 4 CYS HB2 2.900 . 2.900 2.399 2.399 2.399 . 0 0 "[ ]" 1
25 1 4 CYS HA 1 4 CYS QB 2.600 . 2.600 2.308 2.308 2.308 . 0 0 "[ ]" 1
26 1 4 CYS HA 1 4 CYS HB3 2.900 . 2.900 2.999 2.999 2.999 0.099 1 0 "[ ]" 1
27 1 4 CYS QB 1 5 ARG H 3.800 . 3.800 1.918 1.918 1.918 . 0 0 "[ ]" 1
28 1 4 CYS QB 1 6 GLY H 4.100 . 4.100 3.632 3.632 3.632 . 0 0 "[ ]" 1
29 1 4 CYS QB 1 25 CYS QB 7.000 . 7.000 4.021 4.021 4.021 . 0 0 "[ ]" 1
30 1 4 CYS HB2 1 5 ARG H 4.100 . 4.100 3.422 3.422 3.422 . 0 0 "[ ]" 1
31 1 4 CYS HB3 1 5 ARG H 4.100 . 4.100 1.928 1.928 1.928 . 0 0 "[ ]" 1
32 1 4 CYS SG 1 25 CYS CB 3.100 . 3.100 3.036 3.036 3.036 . 0 0 "[ ]" 1
33 1 4 CYS SG 1 25 CYS SG 2.100 . 2.100 2.030 2.030 2.030 . 0 0 "[ ]" 1
34 1 5 ARG H 1 5 ARG HB2 3.400 . 3.400 2.856 2.856 2.856 . 0 0 "[ ]" 1
35 1 5 ARG H 1 5 ARG QB 3.000 . 3.000 2.741 2.741 2.741 . 0 0 "[ ]" 1
36 1 5 ARG H 1 5 ARG HB3 3.400 . 3.400 3.531 3.531 3.531 0.131 1 0 "[ ]" 1
37 1 5 ARG H 1 5 ARG QG 4.800 . 4.800 4.025 4.025 4.025 . 0 0 "[ ]" 1
38 1 5 ARG H 1 6 GLY H 2.800 . 2.800 2.802 2.802 2.802 0.002 1 0 "[ ]" 1
39 1 5 ARG HA 1 5 ARG HB2 2.900 . 2.900 2.481 2.481 2.481 . 0 0 "[ ]" 1
40 1 5 ARG HA 1 5 ARG QB 2.600 . 2.600 2.362 2.362 2.362 . 0 0 "[ ]" 1
41 1 5 ARG HA 1 5 ARG HB3 2.900 . 2.900 2.965 2.965 2.965 0.065 1 0 "[ ]" 1
42 1 5 ARG HA 1 5 ARG NE 6.000 . 6.000 4.370 4.370 4.370 . 0 0 "[ ]" 1
43 1 5 ARG QB 1 5 ARG NE 4.300 . 4.300 2.760 2.760 2.760 . 0 0 "[ ]" 1
44 1 5 ARG QB 1 6 GLY H 3.800 . 3.800 3.442 3.442 3.442 . 0 0 "[ ]" 1
45 1 5 ARG HB2 1 5 ARG NE 4.500 . 4.500 2.841 2.841 2.841 . 0 0 "[ ]" 1
46 1 5 ARG HB2 1 6 GLY H 4.100 . 4.100 4.257 4.257 4.257 0.157 1 0 "[ ]" 1
47 1 5 ARG HB3 1 5 ARG NE 4.500 . 4.500 3.753 3.753 3.753 . 0 0 "[ ]" 1
48 1 5 ARG HB3 1 6 GLY H 4.100 . 4.100 3.635 3.635 3.635 . 0 0 "[ ]" 1
49 1 5 ARG QG 1 6 GLY H 7.000 . 7.000 4.371 4.371 4.371 . 0 0 "[ ]" 1
50 1 6 GLY QA 1 7 THR H 3.200 . 3.200 2.410 2.410 2.410 . 0 0 "[ ]" 1
51 1 6 GLY HA2 1 7 THR H 3.400 . 3.400 2.454 2.454 2.454 . 0 0 "[ ]" 1
52 1 6 GLY HA3 1 7 THR H 3.400 . 3.400 3.517 3.517 3.517 0.117 1 0 "[ ]" 1
53 1 7 THR H 1 7 THR HA 2.800 . 2.800 2.904 2.904 2.904 0.104 1 0 "[ ]" 1
54 1 7 THR H 1 7 THR HB 2.900 . 2.900 2.522 2.522 2.522 . 0 0 "[ ]" 1
55 1 7 THR H 1 8 SER H 2.800 . 2.800 2.219 2.219 2.219 . 0 0 "[ ]" 1
56 1 7 THR HB 1 9 ASP H 4.200 . 4.200 4.092 4.092 4.092 . 0 0 "[ ]" 1
57 1 7 THR HG1 1 8 SER H 7.000 . 7.000 3.707 3.707 3.707 . 0 0 "[ ]" 1
58 1 8 SER H 1 8 SER HA 2.700 . 2.700 2.728 2.728 2.728 0.028 1 0 "[ ]" 1
59 1 8 SER H 1 8 SER QB 3.600 . 3.600 3.056 3.056 3.056 . 0 0 "[ ]" 1
60 1 8 SER H 1 9 ASP H 2.800 . 2.800 1.818 1.818 1.818 . 0 0 "[ ]" 1
61 1 9 ASP H 1 9 ASP HA 2.700 . 2.700 2.791 2.791 2.791 0.091 1 0 "[ ]" 1
62 1 9 ASP H 1 9 ASP QB 3.600 . 3.600 2.125 2.125 2.125 . 0 0 "[ ]" 1
63 1 9 ASP H 1 10 CYS H 2.800 . 2.800 2.858 2.858 2.858 0.058 1 0 "[ ]" 1
64 1 9 ASP HA 1 12 ARG H 3.500 . 3.500 3.550 3.550 3.550 0.050 1 0 "[ ]" 1
65 1 9 ASP QB 1 10 CYS H 4.200 . 4.200 2.377 2.377 2.377 . 0 0 "[ ]" 1
66 1 10 CYS CB 1 30 CYS SG 3.100 . 3.100 3.032 3.032 3.032 . 0 0 "[ ]" 1
67 1 10 CYS H 1 10 CYS QB 3.600 . 3.600 2.662 2.662 2.662 . 0 0 "[ ]" 1
68 1 10 CYS H 1 11 GLY H 2.800 . 2.800 2.697 2.697 2.697 . 0 0 "[ ]" 1
69 1 10 CYS HA 1 14 CYS H 4.200 . 4.200 4.223 4.223 4.223 0.023 1 0 "[ ]" 1
70 1 10 CYS QB 1 11 GLY H 4.500 . 4.500 2.812 2.812 2.812 . 0 0 "[ ]" 1
71 1 10 CYS SG 1 30 CYS CB 3.100 . 3.100 3.034 3.034 3.034 . 0 0 "[ ]" 1
72 1 10 CYS SG 1 30 CYS SG 2.100 . 2.100 2.031 2.031 2.031 . 0 0 "[ ]" 1
73 1 11 GLY H 1 11 GLY HA2 2.800 . 2.800 2.803 2.803 2.803 0.003 1 0 "[ ]" 1
74 1 11 GLY H 1 11 GLY QA 2.600 . 2.600 2.187 2.187 2.187 . 0 0 "[ ]" 1
75 1 11 GLY H 1 11 GLY HA3 2.800 . 2.800 2.282 2.282 2.282 . 0 0 "[ ]" 1
76 1 11 GLY H 1 12 ARG H 2.800 . 2.800 2.722 2.722 2.722 . 0 0 "[ ]" 1
77 1 11 GLY QA 1 15 GLN H 4.800 . 4.800 3.706 3.706 3.706 . 0 0 "[ ]" 1
78 1 11 GLY HA2 1 15 GLN H 5.500 . 5.500 3.860 3.860 3.860 . 0 0 "[ ]" 1
79 1 11 GLY HA3 1 15 GLN H 5.500 . 5.500 4.780 4.780 4.780 . 0 0 "[ ]" 1
80 1 12 ARG H 1 12 ARG HA 2.800 . 2.800 2.833 2.833 2.833 0.033 1 0 "[ ]" 1
81 1 12 ARG H 1 12 ARG QB 3.500 . 3.500 2.761 2.761 2.761 . 0 0 "[ ]" 1
82 1 12 ARG H 1 12 ARG QD 4.200 . 4.200 3.738 3.738 3.738 . 0 0 "[ ]" 1
83 1 12 ARG H 1 13 PRO HD2 3.900 . 3.900 2.468 2.468 2.468 . 0 0 "[ ]" 1
84 1 12 ARG H 1 13 PRO QD 3.500 . 3.500 2.282 2.282 2.282 . 0 0 "[ ]" 1
85 1 12 ARG H 1 13 PRO HD3 3.900 . 3.900 2.687 2.687 2.687 . 0 0 "[ ]" 1
86 1 12 ARG HA 1 15 GLN H 3.400 . 3.400 3.479 3.479 3.479 0.079 1 0 "[ ]" 1
87 1 12 ARG QB 1 13 PRO QD 6.700 . 6.700 1.654 1.654 1.654 0.146 1 0 "[ ]" 1
88 1 13 PRO HA 1 16 GLN H 4.200 . 4.200 4.041 4.041 4.041 . 0 0 "[ ]" 1
89 1 13 PRO QB 1 14 CYS H 4.500 . 4.500 2.436 2.436 2.436 . 0 0 "[ ]" 1
90 1 13 PRO QD 1 14 CYS H 5.000 . 5.000 2.636 2.636 2.636 . 0 0 "[ ]" 1
91 1 14 CYS CB 1 32 CYS SG 3.100 . 3.100 3.033 3.033 3.033 . 0 0 "[ ]" 1
92 1 14 CYS H 1 14 CYS HB2 3.400 . 3.400 3.515 3.515 3.515 0.115 1 0 "[ ]" 1
93 1 14 CYS H 1 14 CYS QB 3.000 . 3.000 2.245 2.245 2.245 . 0 0 "[ ]" 1
94 1 14 CYS H 1 14 CYS HB3 3.400 . 3.400 2.272 2.272 2.272 . 0 0 "[ ]" 1
95 1 14 CYS H 1 15 GLN H 3.000 . 3.000 2.669 2.669 2.669 . 0 0 "[ ]" 1
96 1 14 CYS HA 1 17 GLN H 3.500 . 3.500 3.533 3.533 3.533 0.033 1 0 "[ ]" 1
97 1 14 CYS QB 1 15 GLN H 4.000 . 4.000 3.530 3.530 3.530 . 0 0 "[ ]" 1
98 1 14 CYS HB2 1 15 GLN H 4.400 . 4.400 4.090 4.090 4.090 . 0 0 "[ ]" 1
99 1 14 CYS HB3 1 15 GLN H 4.400 . 4.400 3.858 3.858 3.858 . 0 0 "[ ]" 1
100 1 14 CYS SG 1 32 CYS CB 3.100 . 3.100 3.044 3.044 3.044 . 0 0 "[ ]" 1
101 1 14 CYS SG 1 32 CYS SG 2.100 . 2.100 2.026 2.026 2.026 . 0 0 "[ ]" 1
102 1 15 GLN H 1 15 GLN QB 3.700 . 3.700 2.386 2.386 2.386 . 0 0 "[ ]" 1
103 1 15 GLN H 1 15 GLN HG2 5.000 . 5.000 3.071 3.071 3.071 . 0 0 "[ ]" 1
104 1 15 GLN H 1 15 GLN QG 4.600 . 4.600 2.628 2.628 2.628 . 0 0 "[ ]" 1
105 1 15 GLN H 1 15 GLN HG3 5.000 . 5.000 2.857 2.857 2.857 . 0 0 "[ ]" 1
106 1 15 GLN H 1 16 GLN H 2.800 . 2.800 2.727 2.727 2.727 . 0 0 "[ ]" 1
107 1 15 GLN HA 1 15 GLN QG 4.000 . 4.000 3.374 3.374 3.374 . 0 0 "[ ]" 1
108 1 15 GLN HA 1 18 THR H 3.400 . 3.400 3.508 3.508 3.508 0.108 1 0 "[ ]" 1
109 1 15 GLN QB 1 16 GLN H 4.000 . 4.000 3.568 3.568 3.568 . 0 0 "[ ]" 1
110 1 15 GLN QG 1 16 GLN H 5.600 . 5.600 2.031 2.031 2.031 . 0 0 "[ ]" 1
111 1 16 GLN H 1 16 GLN QB 3.800 . 3.800 2.192 2.192 2.192 . 0 0 "[ ]" 1
112 1 16 GLN H 1 16 GLN HG2 5.200 . 5.200 4.615 4.615 4.615 . 0 0 "[ ]" 1
113 1 16 GLN H 1 16 GLN QG 4.800 . 4.800 4.065 4.065 4.065 . 0 0 "[ ]" 1
114 1 16 GLN H 1 16 GLN HG3 5.200 . 5.200 4.515 4.515 4.515 . 0 0 "[ ]" 1
115 1 16 GLN H 1 17 GLN H 3.300 . 3.300 2.773 2.773 2.773 . 0 0 "[ ]" 1
116 1 17 GLN H 1 17 GLN QB 3.400 . 3.400 2.252 2.252 2.252 . 0 0 "[ ]" 1
117 1 17 GLN H 1 17 GLN HG2 5.200 . 5.200 4.389 4.389 4.389 . 0 0 "[ ]" 1
118 1 17 GLN H 1 17 GLN QG 4.800 . 4.800 3.984 3.984 3.984 . 0 0 "[ ]" 1
119 1 17 GLN H 1 17 GLN HG3 5.200 . 5.200 4.568 4.568 4.568 . 0 0 "[ ]" 1
120 1 17 GLN H 1 18 THR H 3.000 . 3.000 2.939 2.939 2.939 . 0 0 "[ ]" 1
121 1 17 GLN QB 1 18 THR H 4.400 . 4.400 1.953 1.953 1.953 . 0 0 "[ ]" 1
122 1 18 THR H 1 18 THR HG1 4.500 . 4.500 2.973 2.973 2.973 . 0 0 "[ ]" 1
123 1 18 THR HG1 1 34 GLY H 7.000 . 7.000 5.561 5.561 5.561 . 0 0 "[ ]" 1
124 1 21 PRO QD 1 22 ASN H 4.400 . 4.400 3.951 3.951 3.951 . 0 0 "[ ]" 1
125 1 21 PRO HD2 1 22 ASN H 4.800 . 4.800 4.228 4.228 4.228 . 0 0 "[ ]" 1
126 1 21 PRO HD3 1 22 ASN H 4.800 . 4.800 4.744 4.744 4.744 . 0 0 "[ ]" 1
127 1 22 ASN H 1 22 ASN HB2 3.400 . 3.400 2.725 2.725 2.725 . 0 0 "[ ]" 1
128 1 22 ASN H 1 22 ASN QB 3.100 . 3.100 2.530 2.530 2.530 . 0 0 "[ ]" 1
129 1 22 ASN H 1 22 ASN HB3 3.400 . 3.400 3.000 3.000 3.000 . 0 0 "[ ]" 1
130 1 22 ASN H 1 23 SER H 4.400 . 4.400 3.843 3.843 3.843 . 0 0 "[ ]" 1
131 1 22 ASN HA 1 23 SER H 2.400 . 2.400 2.280 2.280 2.280 . 0 0 "[ ]" 1
132 1 22 ASN QB 1 23 SER H 4.400 . 4.400 3.964 3.964 3.964 . 0 0 "[ ]" 1
133 1 22 ASN HB2 1 23 SER H 5.000 . 5.000 4.672 4.672 4.672 . 0 0 "[ ]" 1
134 1 22 ASN HB2 1 33 TYR CG 7.500 . 7.500 5.827 5.827 5.827 . 0 0 "[ ]" 1
135 1 22 ASN HB3 1 23 SER H 5.000 . 5.000 4.284 4.284 4.284 . 0 0 "[ ]" 1
136 1 22 ASN HB3 1 33 TYR CG 7.500 . 7.500 6.778 6.778 6.778 . 0 0 "[ ]" 1
137 1 23 SER HA 1 24 LYS H 2.400 . 2.400 2.160 2.160 2.160 . 0 0 "[ ]" 1
138 1 23 SER HA 1 32 CYS HA 2.400 . 2.400 2.459 2.459 2.459 0.059 1 0 "[ ]" 1
139 1 23 SER HA 1 33 TYR H 4.200 . 4.200 3.675 3.675 3.675 . 0 0 "[ ]" 1
140 1 23 SER QB 1 24 LYS H 3.900 . 3.900 3.008 3.008 3.008 . 0 0 "[ ]" 1
141 1 24 LYS H 1 24 LYS QD 5.700 . 5.700 5.134 5.134 5.134 . 0 0 "[ ]" 1
142 1 24 LYS H 1 24 LYS QE 7.000 . 7.000 5.997 5.997 5.997 . 0 0 "[ ]" 1
143 1 24 LYS H 1 31 LYS H 3.400 . 3.400 3.455 3.455 3.455 0.055 1 0 "[ ]" 1
144 1 24 LYS H 1 31 LYS O 2.300 . 2.300 1.990 1.990 1.990 . 0 0 "[ ]" 1
145 1 24 LYS HA 1 25 CYS H 2.400 . 2.400 2.281 2.281 2.281 . 0 0 "[ ]" 1
146 1 24 LYS QB 1 25 CYS H 7.000 . 7.000 3.219 3.219 3.219 . 0 0 "[ ]" 1
147 1 24 LYS QD 1 25 CYS H 6.000 . 6.000 4.217 4.217 4.217 . 0 0 "[ ]" 1
148 1 24 LYS QG 1 25 CYS H 4.800 . 4.800 3.081 3.081 3.081 . 0 0 "[ ]" 1
149 1 24 LYS HG2 1 25 CYS H 5.000 . 5.000 3.128 3.128 3.128 . 0 0 "[ ]" 1
150 1 24 LYS HG3 1 25 CYS H 5.000 . 5.000 4.623 4.623 4.623 . 0 0 "[ ]" 1
151 1 24 LYS N 1 31 LYS O 3.300 . 3.300 2.610 2.610 2.610 . 0 0 "[ ]" 1
152 1 24 LYS O 1 31 LYS H 2.300 . 2.300 1.774 1.774 1.774 0.026 1 0 "[ ]" 1
153 1 24 LYS O 1 31 LYS N 3.300 . 3.300 2.541 2.541 2.541 . 0 0 "[ ]" 1
154 1 25 CYS H 1 25 CYS HB2 3.100 . 3.100 2.863 2.863 2.863 . 0 0 "[ ]" 1
155 1 25 CYS H 1 25 CYS QB 2.900 . 2.900 2.640 2.640 2.640 . 0 0 "[ ]" 1
156 1 25 CYS H 1 25 CYS HB3 3.100 . 3.100 3.096 3.096 3.096 . 0 0 "[ ]" 1
157 1 25 CYS HA 1 26 ILE H 2.400 . 2.400 2.178 2.178 2.178 . 0 0 "[ ]" 1
158 1 25 CYS HA 1 30 CYS HA 2.400 . 2.400 2.415 2.415 2.415 0.015 1 0 "[ ]" 1
159 1 25 CYS QB 1 26 ILE H 4.100 . 4.100 3.499 3.499 3.499 . 0 0 "[ ]" 1
160 1 25 CYS HB2 1 26 ILE H 4.400 . 4.400 4.308 4.308 4.308 . 0 0 "[ ]" 1
161 1 25 CYS HB3 1 26 ILE H 4.400 . 4.400 3.702 3.702 3.702 . 0 0 "[ ]" 1
162 1 26 ILE H 1 26 ILE HB 3.000 . 3.000 2.942 2.942 2.942 . 0 0 "[ ]" 1
163 1 26 ILE H 1 26 ILE MD 5.700 . 5.700 4.316 4.316 4.316 . 0 0 "[ ]" 1
164 1 26 ILE H 1 29 MET H 3.300 . 3.300 3.402 3.402 3.402 0.102 1 0 "[ ]" 1
165 1 26 ILE H 1 29 MET O 2.300 . 2.300 1.987 1.987 1.987 . 0 0 "[ ]" 1
166 1 26 ILE H 1 30 CYS HA 3.400 . 3.400 3.103 3.103 3.103 . 0 0 "[ ]" 1
167 1 26 ILE HA 1 26 ILE MD 3.600 . 3.600 2.787 2.787 2.787 . 0 0 "[ ]" 1
168 1 26 ILE HA 1 27 ASN H 2.400 . 2.400 2.304 2.304 2.304 . 0 0 "[ ]" 1
169 1 26 ILE QG 1 27 ASN H 4.900 . 4.900 2.766 2.766 2.766 . 0 0 "[ ]" 1
170 1 26 ILE N 1 29 MET O 3.300 . 3.300 2.911 2.911 2.911 . 0 0 "[ ]" 1
171 1 27 ASN H 1 27 ASN HA 2.700 . 2.700 2.688 2.688 2.688 . 0 0 "[ ]" 1
172 1 27 ASN H 1 28 ARG H 3.800 . 3.800 3.047 3.047 3.047 . 0 0 "[ ]" 1
173 1 28 ARG H 1 28 ARG HA 2.500 . 2.500 2.718 2.718 2.718 0.218 1 0 "[ ]" 1
174 1 28 ARG H 1 28 ARG HB2 3.900 . 3.900 2.496 2.496 2.496 . 0 0 "[ ]" 1
175 1 28 ARG H 1 28 ARG QB 3.700 . 3.700 2.450 2.450 2.450 . 0 0 "[ ]" 1
176 1 28 ARG H 1 28 ARG HB3 3.900 . 3.900 3.556 3.556 3.556 . 0 0 "[ ]" 1
177 1 28 ARG H 1 29 MET H 3.800 . 3.800 2.928 2.928 2.928 . 0 0 "[ ]" 1
178 1 28 ARG HA 1 28 ARG QB 2.800 . 2.800 2.372 2.372 2.372 . 0 0 "[ ]" 1
179 1 29 MET H 1 29 MET QB 3.900 . 3.900 2.918 2.918 2.918 . 0 0 "[ ]" 1
180 1 29 MET H 1 30 CYS H 5.000 . 5.000 4.363 4.363 4.363 . 0 0 "[ ]" 1
181 1 29 MET HA 1 30 CYS H 2.500 . 2.500 2.545 2.545 2.545 0.045 1 0 "[ ]" 1
182 1 29 MET QB 1 30 CYS H 4.000 . 4.000 2.673 2.673 2.673 . 0 0 "[ ]" 1
183 1 29 MET HB2 1 30 CYS H 4.200 . 4.200 3.737 3.737 3.737 . 0 0 "[ ]" 1
184 1 29 MET HB3 1 30 CYS H 4.200 . 4.200 2.737 2.737 2.737 . 0 0 "[ ]" 1
185 1 30 CYS H 1 30 CYS HB2 3.300 . 3.300 2.130 2.130 2.130 . 0 0 "[ ]" 1
186 1 30 CYS H 1 30 CYS QB 3.000 . 3.000 2.098 2.098 2.098 . 0 0 "[ ]" 1
187 1 30 CYS H 1 30 CYS HB3 3.300 . 3.300 3.156 3.156 3.156 . 0 0 "[ ]" 1
188 1 30 CYS HA 1 31 LYS H 2.500 . 2.500 2.361 2.361 2.361 . 0 0 "[ ]" 1
189 1 30 CYS QB 1 31 LYS H 4.200 . 4.200 2.905 2.905 2.905 . 0 0 "[ ]" 1
190 1 30 CYS HB2 1 31 LYS H 4.400 . 4.400 4.086 4.086 4.086 . 0 0 "[ ]" 1
191 1 30 CYS HB3 1 31 LYS H 4.400 . 4.400 2.973 2.973 2.973 . 0 0 "[ ]" 1
192 1 31 LYS H 1 31 LYS QE 5.100 . 5.100 4.278 4.278 4.278 . 0 0 "[ ]" 1
193 1 31 LYS HA 1 31 LYS HE2 6.000 . 6.000 4.830 4.830 4.830 . 0 0 "[ ]" 1
194 1 31 LYS HA 1 31 LYS QE 5.400 . 5.400 4.442 4.442 4.442 . 0 0 "[ ]" 1
195 1 31 LYS HA 1 31 LYS HE3 6.000 . 6.000 5.185 5.185 5.185 . 0 0 "[ ]" 1
196 1 31 LYS HA 1 32 CYS H 2.400 . 2.400 2.431 2.431 2.431 0.031 1 0 "[ ]" 1
197 1 31 LYS QB 1 32 CYS H 5.500 . 5.500 2.451 2.451 2.451 . 0 0 "[ ]" 1
198 1 32 CYS H 1 32 CYS HB2 3.400 . 3.400 2.640 2.640 2.640 . 0 0 "[ ]" 1
199 1 32 CYS H 1 32 CYS QB 3.000 . 3.000 2.569 2.569 2.569 . 0 0 "[ ]" 1
200 1 32 CYS H 1 32 CYS HB3 3.400 . 3.400 3.526 3.526 3.526 0.126 1 0 "[ ]" 1
201 1 32 CYS HA 1 34 GLY H 4.400 . 4.400 4.339 4.339 4.339 . 0 0 "[ ]" 1
202 1 32 CYS QB 1 33 TYR H 5.000 . 5.000 2.751 2.751 2.751 . 0 0 "[ ]" 1
203 1 32 CYS HB2 1 33 TYR H 5.400 . 5.400 4.080 4.080 4.080 . 0 0 "[ ]" 1
204 1 32 CYS HB3 1 33 TYR H 5.400 . 5.400 2.796 2.796 2.796 . 0 0 "[ ]" 1
205 1 33 TYR H 1 33 TYR HB2 3.400 . 3.400 2.944 2.944 2.944 . 0 0 "[ ]" 1
206 1 33 TYR H 1 33 TYR QB 3.000 . 3.000 2.780 2.780 2.780 . 0 0 "[ ]" 1
207 1 33 TYR H 1 33 TYR HB3 3.400 . 3.400 3.415 3.415 3.415 0.015 1 0 "[ ]" 1
208 1 33 TYR H 1 34 GLY H 3.200 . 3.200 3.233 3.233 3.233 0.033 1 0 "[ ]" 1
209 1 33 TYR HB2 1 34 GLY H 5.300 . 5.300 4.601 4.601 4.601 . 0 0 "[ ]" 1
210 1 33 TYR HB3 1 34 GLY H 5.300 . 5.300 4.463 4.463 4.463 . 0 0 "[ ]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, July 4, 2024 7:41:15 PM GMT (wattos1)