NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392400 |
1pxq   |
5860 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1pxq
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 255
_Distance_constraint_stats_list.Viol_count 100
_Distance_constraint_stats_list.Viol_total 42.950
_Distance_constraint_stats_list.Viol_max 0.247
_Distance_constraint_stats_list.Viol_rms 0.0157
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0537
_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 ASN 0.035 0.030 3 0 "[ . ]"
1 2 LYS 0.191 0.145 2 0 "[ . ]"
1 3 GLY 0.000 0.000 . 0 "[ . ]"
1 4 CYS 0.098 0.078 7 0 "[ . ]"
1 5 ALA 0.078 0.078 7 0 "[ . ]"
1 6 THR 0.240 0.148 7 0 "[ . ]"
1 7 CYS 0.178 0.148 7 0 "[ . ]"
1 8 SER 0.059 0.032 4 0 "[ . ]"
1 9 ILE 0.028 0.026 3 0 "[ . ]"
1 10 GLY 0.033 0.026 3 0 "[ . ]"
1 11 ALA 0.063 0.063 5 0 "[ . ]"
1 12 ALA 0.028 0.016 2 0 "[ . ]"
1 13 CYS 0.028 0.016 2 0 "[ . ]"
1 14 LEU 0.093 0.035 3 0 "[ . ]"
1 15 VAL 0.020 0.017 7 0 "[ . ]"
1 16 ASP 0.000 0.000 . 0 "[ . ]"
1 17 GLY 0.058 0.016 7 0 "[ . ]"
1 18 PRO 0.000 0.000 . 0 "[ . ]"
1 19 ILE 1.745 0.123 8 0 "[ . ]"
1 20 PRO 0.392 0.080 6 0 "[ . ]"
1 21 ASP 0.392 0.080 6 0 "[ . ]"
1 22 PHE 0.000 0.000 . 0 "[ . ]"
1 23 GLU 0.000 0.000 . 0 "[ . ]"
1 24 ILE 0.025 0.018 8 0 "[ . ]"
1 25 ALA 0.025 0.018 8 0 "[ . ]"
1 26 GLY 0.046 0.024 8 0 "[ . ]"
1 27 ALA 0.173 0.064 3 0 "[ . ]"
1 28 THR 0.080 0.064 3 0 "[ . ]"
1 29 GLY 0.008 0.004 6 0 "[ . ]"
1 30 LEU 0.801 0.083 2 0 "[ . ]"
1 31 PHE 0.574 0.247 6 0 "[ . ]"
1 32 GLY 0.000 0.000 . 0 "[ . ]"
1 33 LEU 1.016 0.213 3 0 "[ . ]"
1 34 TRP 0.583 0.247 6 0 "[ . ]"
1 35 GLY 0.039 0.035 6 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 ASN HA 1 2 LYS H 2.200 . 2.800 2.337 2.140 2.805 0.005 6 0 "[ . ]" 1
2 1 1 ASN QB 1 31 PHE QB 3.400 . 4.800 3.468 1.970 3.836 0.030 3 0 "[ . ]" 1
3 1 1 ASN QB 1 34 TRP QB 3.500 . 6.000 3.991 3.430 4.770 . 0 0 "[ . ]" 1
4 1 2 LYS H 1 2 LYS HA 2.700 . 3.600 2.872 2.812 2.891 . 0 0 "[ . ]" 1
5 1 2 LYS H 1 2 LYS QB 2.900 . 4.000 2.451 2.062 2.971 . 0 0 "[ . ]" 1
6 1 2 LYS H 1 2 LYS QD 3.900 . 5.800 3.777 2.432 4.674 . 0 0 "[ . ]" 1
7 1 2 LYS H 1 2 LYS QG 2.800 . 3.800 2.556 1.855 3.387 0.145 2 0 "[ . ]" 1
8 1 2 LYS HA 1 2 LYS QB 2.600 . 3.500 2.354 2.150 2.540 . 0 0 "[ . ]" 1
9 1 2 LYS HA 1 2 LYS QD 3.900 . 5.800 3.693 2.331 4.442 . 0 0 "[ . ]" 1
10 1 2 LYS HA 1 2 LYS QG 3.100 . 4.300 2.655 2.014 3.344 . 0 0 "[ . ]" 1
11 1 2 LYS HA 1 3 GLY H 3.200 . 4.500 2.898 2.274 3.548 . 0 0 "[ . ]" 1
12 1 2 LYS HA 1 4 CYS H 3.300 . 4.600 4.478 4.055 4.620 0.020 3 0 "[ . ]" 1
13 1 2 LYS QB 1 2 LYS QG 3.100 . 4.300 2.045 1.979 2.087 . 0 0 "[ . ]" 1
14 1 2 LYS QB 1 3 GLY H 3.700 . 5.400 3.525 2.223 4.061 . 0 0 "[ . ]" 1
15 1 2 LYS QE 1 2 LYS QG 3.300 . 4.600 2.156 2.012 2.272 . 0 0 "[ . ]" 1
16 1 3 GLY H 1 4 CYS H 2.800 . 3.700 2.898 2.139 3.655 . 0 0 "[ . ]" 1
17 1 3 GLY QA 1 4 CYS H 3.300 . 4.700 2.670 2.396 2.916 . 0 0 "[ . ]" 1
18 1 3 GLY QA 1 4 CYS QB 3.900 . 6.000 4.241 3.786 4.727 . 0 0 "[ . ]" 1
19 1 4 CYS H 1 4 CYS HA 2.800 . 3.800 2.578 2.286 2.888 . 0 0 "[ . ]" 1
20 1 4 CYS H 1 4 CYS QB 3.400 . 4.900 2.761 2.240 3.108 . 0 0 "[ . ]" 1
21 1 4 CYS HA 1 4 CYS QB 3.300 . 4.700 2.438 2.318 2.536 . 0 0 "[ . ]" 1
22 1 4 CYS HA 1 5 ALA H 3.000 . 4.100 2.989 2.691 3.331 . 0 0 "[ . ]" 1
23 1 4 CYS QB 1 5 ALA H 3.500 . 5.000 3.457 1.922 3.912 0.078 7 0 "[ . ]" 1
24 1 4 CYS QB 1 31 PHE H . . 3.100 2.660 2.518 2.785 . 0 0 "[ . ]" 1
25 1 4 CYS QB 1 32 GLY H 2.600 . 3.400 2.392 2.008 2.561 . 0 0 "[ . ]" 1
26 1 4 CYS QB 1 32 GLY QA 3.000 . 4.100 2.883 2.812 3.043 . 0 0 "[ . ]" 1
27 1 5 ALA H 1 5 ALA HA 2.600 . 3.400 2.880 2.834 2.898 . 0 0 "[ . ]" 1
28 1 5 ALA H 1 5 ALA MB 2.400 . 3.100 2.192 2.131 2.277 . 0 0 "[ . ]" 1
29 1 5 ALA HA 1 5 ALA MB 2.100 . 2.600 2.111 2.093 2.126 . 0 0 "[ . ]" 1
30 1 5 ALA HA 1 7 CYS H 3.600 . 5.200 3.590 3.264 4.559 . 0 0 "[ . ]" 1
31 1 5 ALA MB 1 6 THR H 3.100 . 4.300 2.841 1.947 3.302 . 0 0 "[ . ]" 1
32 1 5 ALA MB 1 6 THR HA 3.400 . 6.000 3.947 3.829 4.169 . 0 0 "[ . ]" 1
33 1 6 THR H 1 6 THR HA 2.600 . 3.400 2.852 2.803 2.871 . 0 0 "[ . ]" 1
34 1 6 THR H 1 6 THR HB 2.700 . 3.600 3.339 2.526 3.604 0.004 5 0 "[ . ]" 1
35 1 6 THR H 1 6 THR MG 2.600 . 3.500 2.333 2.022 2.815 . 0 0 "[ . ]" 1
36 1 6 THR H 1 7 CYS H 2.600 . 3.400 2.934 2.560 3.548 0.148 7 0 "[ . ]" 1
37 1 6 THR HA 1 6 THR HB 2.200 . 2.800 2.467 2.379 2.607 . 0 0 "[ . ]" 1
38 1 6 THR HA 1 6 THR MG 2.700 . 6.000 2.584 2.146 3.215 . 0 0 "[ . ]" 1
39 1 6 THR HA 1 7 CYS H 3.300 . 4.700 3.091 2.555 3.417 . 0 0 "[ . ]" 1
40 1 6 THR HA 1 8 SER H 3.300 . 4.700 4.376 3.631 4.732 0.032 4 0 "[ . ]" 1
41 1 6 THR HB 1 6 THR MG 2.300 . 2.900 2.085 2.072 2.100 . 0 0 "[ . ]" 1
42 1 6 THR HB 1 7 CYS H 4.000 . 6.000 4.325 4.031 4.662 . 0 0 "[ . ]" 1
43 1 7 CYS H 1 7 CYS HA 2.700 . 3.600 2.862 2.755 2.901 . 0 0 "[ . ]" 1
44 1 7 CYS H 1 7 CYS QB 3.100 . 4.300 3.343 3.316 3.416 . 0 0 "[ . ]" 1
45 1 7 CYS H 1 8 SER H 2.800 . 3.800 2.452 1.966 2.930 . 0 0 "[ . ]" 1
46 1 7 CYS H 1 28 THR MG 3.100 . 6.000 4.422 3.596 5.030 . 0 0 "[ . ]" 1
47 1 7 CYS HA 1 7 CYS QB 2.900 . 3.900 2.166 2.154 2.191 . 0 0 "[ . ]" 1
48 1 7 CYS HA 1 8 SER H 3.300 . 4.700 2.687 2.471 2.864 . 0 0 "[ . ]" 1
49 1 7 CYS HA 1 9 ILE H 3.500 . 5.100 3.112 3.017 3.168 . 0 0 "[ . ]" 1
50 1 7 CYS HA 1 9 ILE QG 3.200 . 6.000 4.920 4.238 5.372 . 0 0 "[ . ]" 1
51 1 7 CYS HA 1 9 ILE MG 3.400 . 6.000 4.909 4.097 5.036 . 0 0 "[ . ]" 1
52 1 7 CYS QB 1 26 GLY QA 2.900 . 4.000 2.680 2.494 2.968 . 0 0 "[ . ]" 1
53 1 7 CYS QB 1 28 THR H 2.700 . 3.600 2.131 1.945 2.388 . 0 0 "[ . ]" 1
54 1 7 CYS QB 1 28 THR HB 3.300 . 4.500 3.939 3.670 4.100 . 0 0 "[ . ]" 1
55 1 7 CYS QB 1 29 GLY H 3.500 . 5.000 2.654 1.996 3.696 0.004 5 0 "[ . ]" 1
56 1 7 CYS QB 1 29 GLY QA 4.100 . 6.000 3.872 3.546 4.487 . 0 0 "[ . ]" 1
57 1 8 SER H 1 8 SER HA 2.800 . 3.800 2.760 2.755 2.793 . 0 0 "[ . ]" 1
58 1 8 SER H 1 8 SER QB 2.500 . 3.300 2.399 2.193 2.878 . 0 0 "[ . ]" 1
59 1 8 SER H 1 9 ILE H 2.500 . 3.300 2.750 2.659 2.776 . 0 0 "[ . ]" 1
60 1 8 SER QB 1 9 ILE H 2.500 . 3.300 2.923 2.867 2.975 . 0 0 "[ . ]" 1
61 1 9 ILE H 1 9 ILE HA 2.600 . 3.400 2.778 2.713 2.868 . 0 0 "[ . ]" 1
62 1 9 ILE H 1 9 ILE HB 2.500 . 3.300 2.224 2.100 2.321 . 0 0 "[ . ]" 1
63 1 9 ILE H 1 9 ILE MG 2.900 . 6.000 3.576 3.082 3.705 . 0 0 "[ . ]" 1
64 1 9 ILE H 1 10 GLY H 3.100 . 4.300 3.465 2.652 4.326 0.026 3 0 "[ . ]" 1
65 1 9 ILE H 1 29 GLY QA 3.500 . 5.000 4.336 3.963 4.470 . 0 0 "[ . ]" 1
66 1 9 ILE HA 1 9 ILE HB 2.300 . 3.000 2.951 2.733 2.998 . 0 0 "[ . ]" 1
67 1 9 ILE HA 1 9 ILE MD 3.000 . 4.100 2.381 1.923 3.396 . 0 0 "[ . ]" 1
68 1 9 ILE HA 1 9 ILE QG 2.400 . 3.100 2.448 1.958 2.725 . 0 0 "[ . ]" 1
69 1 9 ILE HA 1 9 ILE MG 2.600 . 6.000 2.702 2.562 3.111 . 0 0 "[ . ]" 1
70 1 9 ILE HA 1 10 GLY H 2.900 . 3.900 3.032 2.168 3.580 . 0 0 "[ . ]" 1
71 1 9 ILE HB 1 9 ILE MD 3.000 . 4.100 2.935 2.001 3.226 . 0 0 "[ . ]" 1
72 1 9 ILE HB 1 9 ILE MG 2.200 . 6.000 2.108 2.096 2.123 . 0 0 "[ . ]" 1
73 1 9 ILE QG 1 9 ILE MG 3.000 . 4.100 2.242 1.967 2.643 . 0 0 "[ . ]" 1
74 1 9 ILE QG 1 10 GLY H 3.700 . 5.400 4.400 4.018 4.654 . 0 0 "[ . ]" 1
75 1 9 ILE MG 1 10 GLY H 3.000 . 4.100 2.730 2.044 3.422 . 0 0 "[ . ]" 1
76 1 10 GLY QA 1 11 ALA H 3.400 . 4.800 2.306 2.132 2.742 . 0 0 "[ . ]" 1
77 1 10 GLY QA 1 11 ALA MB 3.100 . 6.000 3.819 3.710 4.062 . 0 0 "[ . ]" 1
78 1 10 GLY QA 1 28 THR H 3.800 . 5.600 3.168 1.996 5.254 0.004 6 0 "[ . ]" 1
79 1 10 GLY QA 1 29 GLY QA 3.200 . 4.500 2.409 1.903 3.326 . 0 0 "[ . ]" 1
80 1 11 ALA H 1 11 ALA HA 2.500 . 3.300 2.835 2.748 2.885 . 0 0 "[ . ]" 1
81 1 11 ALA H 1 11 ALA MB 2.300 . 3.000 2.159 2.080 2.238 . 0 0 "[ . ]" 1
82 1 11 ALA HA 1 11 ALA MB 2.000 . 6.000 2.109 2.086 2.125 . 0 0 "[ . ]" 1
83 1 11 ALA HA 1 14 LEU H 3.400 . 4.800 3.435 3.290 3.691 . 0 0 "[ . ]" 1
84 1 11 ALA HA 1 14 LEU QD 2.800 . 6.000 4.244 3.114 5.278 . 0 0 "[ . ]" 1
85 1 11 ALA HA 1 14 LEU HG 2.900 . 6.000 4.929 4.151 5.367 . 0 0 "[ . ]" 1
86 1 11 ALA MB 1 30 LEU QD 2.600 . 3.400 2.030 1.737 2.108 0.063 5 0 "[ . ]" 1
87 1 12 ALA H 1 12 ALA HA 2.600 . 3.400 2.856 2.819 2.878 . 0 0 "[ . ]" 1
88 1 12 ALA H 1 12 ALA MB 2.500 . 3.300 2.760 2.723 2.799 . 0 0 "[ . ]" 1
89 1 12 ALA H 1 13 CYS H 2.600 . 3.400 3.028 1.932 3.416 0.016 2 0 "[ . ]" 1
90 1 12 ALA HA 1 12 ALA MB 2.100 . 2.700 2.099 2.091 2.104 . 0 0 "[ . ]" 1
91 1 12 ALA HA 1 13 CYS H 2.900 . 4.000 2.426 2.234 2.964 . 0 0 "[ . ]" 1
92 1 12 ALA MB 1 13 CYS H 3.300 . 4.700 3.635 3.550 3.722 . 0 0 "[ . ]" 1
93 1 13 CYS H 1 13 CYS HA 2.700 . 3.600 2.840 2.819 2.876 . 0 0 "[ . ]" 1
94 1 13 CYS H 1 13 CYS QB 3.900 . 5.800 2.187 2.134 2.242 . 0 0 "[ . ]" 1
95 1 13 CYS HA 1 13 CYS QB 3.100 . 4.300 2.440 2.279 2.509 . 0 0 "[ . ]" 1
96 1 13 CYS HA 1 14 LEU H 3.400 . 4.800 3.487 3.455 3.524 . 0 0 "[ . ]" 1
97 1 13 CYS HA 1 14 LEU QB 3.900 . 5.800 4.064 3.877 4.409 . 0 0 "[ . ]" 1
98 1 13 CYS HA 1 15 VAL QG 4.100 . 6.000 4.409 4.294 4.476 . 0 0 "[ . ]" 1
99 1 13 CYS QB 1 16 ASP QB 3.000 . 6.000 4.837 4.822 4.857 . 0 0 "[ . ]" 1
100 1 13 CYS QB 1 23 GLU H 2.600 . 3.500 2.533 2.274 3.137 . 0 0 "[ . ]" 1
101 1 13 CYS QB 1 23 GLU HA 3.900 . 5.400 4.882 4.835 4.915 . 0 0 "[ . ]" 1
102 1 13 CYS QB 1 23 GLU QG 3.800 . 5.600 4.025 3.793 4.466 . 0 0 "[ . ]" 1
103 1 14 LEU H 1 14 LEU HA 2.700 . 3.600 2.275 2.261 2.286 . 0 0 "[ . ]" 1
104 1 14 LEU H 1 14 LEU QB 3.400 . 4.800 3.260 3.127 3.471 . 0 0 "[ . ]" 1
105 1 14 LEU H 1 14 LEU QD 3.900 . 5.800 3.285 2.694 3.832 . 0 0 "[ . ]" 1
106 1 14 LEU H 1 14 LEU HG 2.900 . 3.900 3.493 3.044 3.876 . 0 0 "[ . ]" 1
107 1 14 LEU H 1 15 VAL H 2.400 . 3.100 2.602 2.479 2.707 . 0 0 "[ . ]" 1
108 1 14 LEU HA 1 14 LEU QD 2.400 . 6.000 2.339 1.941 2.891 . 0 0 "[ . ]" 1
109 1 14 LEU HA 1 14 LEU HG 2.800 . 3.800 2.642 2.137 3.211 . 0 0 "[ . ]" 1
110 1 14 LEU HA 1 15 VAL H 3.100 . 4.300 3.235 3.194 3.257 . 0 0 "[ . ]" 1
111 1 14 LEU HA 1 16 ASP H 3.500 . 5.000 3.035 3.000 3.091 . 0 0 "[ . ]" 1
112 1 14 LEU HA 1 17 GLY H 3.200 . 4.500 4.506 4.494 4.516 0.016 7 0 "[ . ]" 1
113 1 14 LEU QB 1 14 LEU QD 2.600 . 3.400 1.887 1.765 1.953 0.035 3 0 "[ . ]" 1
114 1 14 LEU QB 1 14 LEU HG 2.200 . 2.800 2.407 2.326 2.530 . 0 0 "[ . ]" 1
115 1 14 LEU QB 1 20 PRO QD 3.100 . 4.300 2.676 1.967 2.973 . 0 0 "[ . ]" 1
116 1 14 LEU QD 1 17 GLY QA 3.800 . 5.600 3.571 3.020 4.308 . 0 0 "[ . ]" 1
117 1 14 LEU QD 1 18 PRO HA 3.300 . 6.000 3.812 2.727 4.692 . 0 0 "[ . ]" 1
118 1 14 LEU QD 1 23 GLU QG 3.300 . 6.000 3.037 2.101 3.965 . 0 0 "[ . ]" 1
119 1 15 VAL H 1 15 VAL HA 2.400 . 3.100 2.829 2.825 2.837 . 0 0 "[ . ]" 1
120 1 15 VAL H 1 15 VAL HB 2.300 . 3.000 2.596 2.562 2.657 . 0 0 "[ . ]" 1
121 1 15 VAL H 1 15 VAL QG 3.200 . 4.500 1.977 1.927 2.041 . 0 0 "[ . ]" 1
122 1 15 VAL H 1 16 ASP H 2.700 . 3.600 2.644 2.593 2.698 . 0 0 "[ . ]" 1
123 1 15 VAL HA 1 15 VAL HB 2.100 . 2.700 2.444 2.432 2.454 . 0 0 "[ . ]" 1
124 1 15 VAL HA 1 15 VAL QG 3.000 . 4.100 2.237 2.201 2.260 . 0 0 "[ . ]" 1
125 1 15 VAL HA 1 16 ASP H 3.200 . 4.500 3.307 3.284 3.324 . 0 0 "[ . ]" 1
126 1 15 VAL HA 1 19 ILE HA 2.000 . 2.500 2.302 1.872 2.517 0.017 7 0 "[ . ]" 1
127 1 15 VAL HB 1 15 VAL QG 2.100 . 2.600 1.886 1.876 1.891 . 0 0 "[ . ]" 1
128 1 15 VAL QG 1 16 ASP H 3.800 . 5.600 2.768 2.643 2.826 . 0 0 "[ . ]" 1
129 1 15 VAL QG 1 19 ILE HA 3.700 . 5.400 2.664 2.453 3.022 . 0 0 "[ . ]" 1
130 1 16 ASP H 1 16 ASP HA 3.000 . 4.100 2.916 2.913 2.919 . 0 0 "[ . ]" 1
131 1 16 ASP H 1 16 ASP QB 3.300 . 4.700 2.269 2.224 2.406 . 0 0 "[ . ]" 1
132 1 16 ASP H 1 17 GLY H 2.600 . 3.400 2.719 2.642 2.818 . 0 0 "[ . ]" 1
133 1 16 ASP HA 1 16 ASP QB 3.700 . 5.400 2.472 2.170 2.526 . 0 0 "[ . ]" 1
134 1 16 ASP HA 1 17 GLY H 3.300 . 4.600 2.961 2.900 3.019 . 0 0 "[ . ]" 1
135 1 17 GLY QA 1 18 PRO QD 2.900 . 3.900 2.018 1.968 2.061 . 0 0 "[ . ]" 1
136 1 18 PRO HA 1 19 ILE H 3.200 . 4.500 3.494 3.458 3.533 . 0 0 "[ . ]" 1
137 1 18 PRO QB 1 18 PRO QD 3.800 . 5.600 2.803 2.767 2.827 . 0 0 "[ . ]" 1
138 1 18 PRO QB 1 19 ILE HA 4.000 . 6.000 3.897 3.780 3.950 . 0 0 "[ . ]" 1
139 1 18 PRO QD 1 18 PRO QG 2.900 . 3.900 1.965 1.963 1.970 . 0 0 "[ . ]" 1
140 1 18 PRO QD 1 19 ILE H 3.900 . 5.800 2.895 2.490 3.043 . 0 0 "[ . ]" 1
141 1 19 ILE H 1 19 ILE HA 2.700 . 3.600 2.281 2.274 2.286 . 0 0 "[ . ]" 1
142 1 19 ILE H 1 19 ILE HB 2.700 . 3.600 3.696 3.686 3.723 0.123 8 0 "[ . ]" 1
143 1 19 ILE H 1 19 ILE QG 3.500 . 5.000 2.978 2.876 3.157 . 0 0 "[ . ]" 1
144 1 19 ILE H 1 19 ILE MG 3.900 . 5.100 4.050 4.032 4.061 . 0 0 "[ . ]" 1
145 1 19 ILE HA 1 19 ILE HB 2.300 . 2.900 2.987 2.982 2.990 0.090 7 0 "[ . ]" 1
146 1 19 ILE HA 1 19 ILE MD 3.100 . 4.300 2.788 1.934 3.638 . 0 0 "[ . ]" 1
147 1 19 ILE HA 1 19 ILE QG 3.200 . 4.500 2.656 2.331 3.047 . 0 0 "[ . ]" 1
148 1 19 ILE HA 1 19 ILE MG 2.600 . 3.500 2.282 2.226 2.343 . 0 0 "[ . ]" 1
149 1 19 ILE HA 1 20 PRO QD 2.400 . 3.100 2.580 2.445 2.700 . 0 0 "[ . ]" 1
150 1 19 ILE HB 1 19 ILE MD 3.000 . 4.200 2.719 2.062 3.219 . 0 0 "[ . ]" 1
151 1 19 ILE HB 1 19 ILE QG 3.100 . 4.300 2.322 2.183 2.532 . 0 0 "[ . ]" 1
152 1 19 ILE QG 1 19 ILE MG 3.300 . 4.600 2.147 1.895 2.480 0.105 6 0 "[ . ]" 1
153 1 19 ILE QG 1 20 PRO QD 3.700 . 5.400 4.113 3.949 4.257 . 0 0 "[ . ]" 1
154 1 19 ILE MG 1 20 PRO QD 3.900 . 5.800 3.985 3.781 4.094 . 0 0 "[ . ]" 1
155 1 19 ILE MG 1 21 ASP QB 3.700 . 6.000 4.123 3.798 4.469 . 0 0 "[ . ]" 1
156 1 20 PRO HA 1 21 ASP H 2.600 . 3.400 3.343 2.911 3.480 0.080 6 0 "[ . ]" 1
157 1 20 PRO HA 1 21 ASP HA 3.000 . 6.000 5.146 4.922 5.261 . 0 0 "[ . ]" 1
158 1 20 PRO HA 1 23 GLU QB 3.800 . 6.000 4.954 4.390 5.405 . 0 0 "[ . ]" 1
159 1 20 PRO QB 1 20 PRO QD 3.500 . 5.000 2.799 2.716 2.958 . 0 0 "[ . ]" 1
160 1 20 PRO QD 1 20 PRO QG 3.000 . 4.100 1.963 1.946 1.981 . 0 0 "[ . ]" 1
161 1 20 PRO QG 1 23 GLU QB 2.600 . 6.000 2.978 2.400 3.536 . 0 0 "[ . ]" 1
162 1 21 ASP HA 1 21 ASP QB 3.300 . 4.700 2.412 2.158 2.523 . 0 0 "[ . ]" 1
163 1 21 ASP HA 1 22 PHE QD 3.700 . 5.400 3.554 3.013 4.271 . 0 0 "[ . ]" 1
164 1 22 PHE H 1 22 PHE QB 3.200 . 4.500 2.926 2.416 3.361 . 0 0 "[ . ]" 1
165 1 22 PHE QB 1 22 PHE QD 2.700 . 3.600 2.125 2.122 2.131 . 0 0 "[ . ]" 1
166 1 22 PHE QB 1 24 ILE MD 3.500 . 5.000 2.897 2.093 3.719 . 0 0 "[ . ]" 1
167 1 22 PHE QB 1 24 ILE QG 3.500 . 5.100 3.298 2.518 3.880 . 0 0 "[ . ]" 1
168 1 23 GLU H 1 23 GLU QB 3.400 . 4.900 2.381 2.174 2.585 . 0 0 "[ . ]" 1
169 1 23 GLU H 1 24 ILE H 3.200 . 4.500 3.718 3.132 4.451 . 0 0 "[ . ]" 1
170 1 23 GLU HA 1 23 GLU QB 3.100 . 4.300 2.237 2.150 2.467 . 0 0 "[ . ]" 1
171 1 23 GLU HA 1 23 GLU QG 3.400 . 4.500 3.253 2.697 3.474 . 0 0 "[ . ]" 1
172 1 23 GLU HA 1 24 ILE H 3.400 . 4.800 2.466 2.131 2.770 . 0 0 "[ . ]" 1
173 1 23 GLU QB 1 23 GLU QG 2.900 . 3.900 2.016 1.975 2.065 . 0 0 "[ . ]" 1
174 1 23 GLU QB 1 24 ILE H 4.000 . 6.000 3.879 3.506 4.079 . 0 0 "[ . ]" 1
175 1 24 ILE H 1 24 ILE HA 2.700 . 3.600 2.864 2.794 2.909 . 0 0 "[ . ]" 1
176 1 24 ILE H 1 24 ILE HB 2.600 . 3.400 2.593 2.479 2.676 . 0 0 "[ . ]" 1
177 1 24 ILE H 1 24 ILE MD 3.100 . 4.300 2.764 2.058 3.166 . 0 0 "[ . ]" 1
178 1 24 ILE H 1 24 ILE QG 3.100 . 4.100 2.302 1.933 2.855 . 0 0 "[ . ]" 1
179 1 24 ILE H 1 24 ILE MG 3.600 . 5.200 3.782 3.760 3.809 . 0 0 "[ . ]" 1
180 1 24 ILE H 1 25 ALA H 2.500 . 3.300 2.784 2.438 3.009 . 0 0 "[ . ]" 1
181 1 24 ILE HA 1 24 ILE HB 2.700 . 3.600 3.020 3.015 3.025 . 0 0 "[ . ]" 1
182 1 24 ILE HA 1 24 ILE MD 2.700 . 6.000 3.377 2.056 3.871 . 0 0 "[ . ]" 1
183 1 24 ILE HA 1 24 ILE QG 3.400 . 4.900 2.586 2.364 3.054 . 0 0 "[ . ]" 1
184 1 24 ILE HA 1 24 ILE MG 2.600 . 3.500 2.321 2.242 2.369 . 0 0 "[ . ]" 1
185 1 24 ILE HA 1 25 ALA H 3.100 . 4.300 3.557 3.505 3.570 . 0 0 "[ . ]" 1
186 1 24 ILE HA 1 25 ALA MB 3.000 . 6.000 4.163 4.018 4.371 . 0 0 "[ . ]" 1
187 1 24 ILE HB 1 24 ILE QG 2.900 . 3.900 2.438 2.187 2.535 . 0 0 "[ . ]" 1
188 1 24 ILE HB 1 25 ALA H 3.300 . 4.700 2.119 1.882 2.786 0.018 8 0 "[ . ]" 1
189 1 24 ILE QG 1 24 ILE MG 3.000 . 4.200 2.090 1.973 2.375 . 0 0 "[ . ]" 1
190 1 24 ILE MG 1 25 ALA HA 3.300 . 6.000 4.224 3.674 4.733 . 0 0 "[ . ]" 1
191 1 24 ILE MG 1 25 ALA MB 3.400 . 6.000 4.083 3.923 4.151 . 0 0 "[ . ]" 1
192 1 24 ILE MG 1 27 ALA HA 3.100 . 4.300 2.569 2.245 2.953 . 0 0 "[ . ]" 1
193 1 25 ALA H 1 25 ALA HA 2.800 . 3.800 2.277 2.274 2.291 . 0 0 "[ . ]" 1
194 1 25 ALA H 1 25 ALA MB 2.700 . 3.600 2.870 2.771 2.924 . 0 0 "[ . ]" 1
195 1 25 ALA HA 1 25 ALA MB 2.100 . 6.000 2.116 2.101 2.128 . 0 0 "[ . ]" 1
196 1 25 ALA HA 1 26 GLY H 3.200 . 4.400 2.905 2.757 3.006 . 0 0 "[ . ]" 1
197 1 25 ALA MB 1 26 GLY H 3.500 . 5.000 3.356 3.161 3.483 . 0 0 "[ . ]" 1
198 1 26 GLY H 1 27 ALA H 2.400 . 3.100 2.765 2.070 3.124 0.024 8 0 "[ . ]" 1
199 1 26 GLY QA 1 27 ALA H 3.600 . 5.200 2.356 2.195 2.661 . 0 0 "[ . ]" 1
200 1 27 ALA H 1 27 ALA HA 2.700 . 3.600 2.843 2.809 2.854 . 0 0 "[ . ]" 1
201 1 27 ALA H 1 27 ALA MB 2.700 . 3.600 2.049 2.023 2.097 . 0 0 "[ . ]" 1
202 1 27 ALA H 1 28 THR H 2.700 . 3.600 2.785 2.536 3.664 0.064 3 0 "[ . ]" 1
203 1 27 ALA HA 1 27 ALA MB 1.900 . 2.400 2.066 2.064 2.069 . 0 0 "[ . ]" 1
204 1 27 ALA HA 1 28 THR H 3.000 . 4.100 3.222 2.431 3.487 . 0 0 "[ . ]" 1
205 1 27 ALA HA 1 30 LEU H 3.600 . 5.200 4.148 3.493 5.242 0.042 2 0 "[ . ]" 1
206 1 27 ALA HA 1 30 LEU HG 3.200 . 4.500 3.591 2.688 4.520 0.020 3 0 "[ . ]" 1
207 1 27 ALA MB 1 28 THR H 3.100 . 4.300 3.295 2.891 3.660 . 0 0 "[ . ]" 1
208 1 27 ALA MB 1 28 THR HB 3.600 . 6.000 4.226 3.524 4.998 . 0 0 "[ . ]" 1
209 1 28 THR H 1 28 THR HB 3.300 . 4.700 3.307 2.865 3.792 . 0 0 "[ . ]" 1
210 1 28 THR H 1 28 THR MG 2.700 . 6.000 3.780 2.630 4.111 . 0 0 "[ . ]" 1
211 1 28 THR HB 1 30 LEU H 3.600 . 5.200 4.898 3.844 5.206 0.006 7 0 "[ . ]" 1
212 1 28 THR HB 1 31 PHE H 3.800 . 5.600 4.577 3.585 4.956 . 0 0 "[ . ]" 1
213 1 28 THR HB 1 31 PHE QE 3.600 . 6.000 4.585 3.711 5.357 . 0 0 "[ . ]" 1
214 1 29 GLY H 1 29 GLY QA 2.400 . 3.100 2.206 2.185 2.248 . 0 0 "[ . ]" 1
215 1 29 GLY H 1 30 LEU H 2.600 . 3.500 2.815 2.314 3.490 . 0 0 "[ . ]" 1
216 1 29 GLY H 1 30 LEU HA 3.900 . 5.800 5.310 4.917 5.642 . 0 0 "[ . ]" 1
217 1 29 GLY QA 1 30 LEU H 3.500 . 5.100 2.796 2.615 2.870 . 0 0 "[ . ]" 1
218 1 30 LEU H 1 30 LEU HA 2.600 . 3.400 2.793 2.737 2.848 . 0 0 "[ . ]" 1
219 1 30 LEU H 1 30 LEU QB 2.900 . 3.900 2.510 2.382 2.660 . 0 0 "[ . ]" 1
220 1 30 LEU H 1 30 LEU QD 3.800 . 5.600 2.836 2.536 3.039 . 0 0 "[ . ]" 1
221 1 30 LEU H 1 30 LEU HG 2.400 . 3.100 2.185 1.965 2.401 . 0 0 "[ . ]" 1
222 1 30 LEU H 1 31 PHE H 2.600 . 3.400 2.685 2.505 2.825 . 0 0 "[ . ]" 1
223 1 30 LEU HA 1 30 LEU QB 2.200 . 2.800 2.350 2.263 2.404 . 0 0 "[ . ]" 1
224 1 30 LEU HA 1 30 LEU QD 3.200 . 4.400 2.036 1.938 2.281 0.062 6 0 "[ . ]" 1
225 1 30 LEU HA 1 30 LEU HG 3.000 . 4.100 3.243 3.133 3.445 . 0 0 "[ . ]" 1
226 1 30 LEU HA 1 31 PHE H 3.000 . 4.200 3.471 3.423 3.508 . 0 0 "[ . ]" 1
227 1 30 LEU HA 1 33 LEU H 3.200 . 4.500 3.443 3.034 4.305 . 0 0 "[ . ]" 1
228 1 30 LEU HA 1 33 LEU HG 2.900 . 4.000 3.158 2.488 3.998 . 0 0 "[ . ]" 1
229 1 30 LEU QB 1 30 LEU QD 3.300 . 4.600 1.942 1.917 1.960 0.083 2 0 "[ . ]" 1
230 1 30 LEU QB 1 30 LEU HG 2.500 . 3.300 2.323 2.297 2.333 . 0 0 "[ . ]" 1
231 1 30 LEU QB 1 31 PHE H 3.400 . 4.800 2.881 2.735 3.055 . 0 0 "[ . ]" 1
232 1 30 LEU QB 1 31 PHE QD 2.700 . 6.000 2.222 1.896 3.056 . 0 0 "[ . ]" 1
233 1 30 LEU QB 1 31 PHE QE 3.500 . 6.000 2.697 2.458 2.927 . 0 0 "[ . ]" 1
234 1 31 PHE H 1 31 PHE QD 3.400 . 4.900 3.186 2.665 3.489 . 0 0 "[ . ]" 1
235 1 31 PHE H 1 32 GLY H 2.700 . 3.600 2.684 2.600 2.832 . 0 0 "[ . ]" 1
236 1 31 PHE QB 1 31 PHE QD 2.500 . 3.300 2.128 2.124 2.134 . 0 0 "[ . ]" 1
237 1 31 PHE QB 1 31 PHE QE 3.800 . 5.600 3.927 3.923 3.936 . 0 0 "[ . ]" 1
238 1 31 PHE QB 1 34 TRP QB 3.500 . 5.000 2.176 1.753 2.698 0.247 6 0 "[ . ]" 1
239 1 32 GLY H 1 32 GLY QA 2.500 . 3.300 2.218 2.185 2.263 . 0 0 "[ . ]" 1
240 1 32 GLY H 1 33 LEU H 2.600 . 3.500 2.600 2.248 2.944 . 0 0 "[ . ]" 1
241 1 32 GLY QA 1 33 LEU H 3.600 . 5.200 2.779 2.568 2.918 . 0 0 "[ . ]" 1
242 1 33 LEU H 1 33 LEU HA 2.500 . 3.300 2.884 2.814 2.916 . 0 0 "[ . ]" 1
243 1 33 LEU H 1 33 LEU QB 3.100 . 4.300 2.567 2.213 2.880 . 0 0 "[ . ]" 1
244 1 33 LEU H 1 33 LEU QD 4.100 . 6.000 2.782 1.924 3.344 0.076 3 0 "[ . ]" 1
245 1 33 LEU H 1 33 LEU HG 2.500 . 3.300 2.382 1.958 2.835 . 0 0 "[ . ]" 1
246 1 33 LEU H 1 34 TRP H 2.400 . 3.100 2.615 2.484 2.815 . 0 0 "[ . ]" 1
247 1 33 LEU HA 1 33 LEU QD 3.100 . 4.300 2.647 1.949 3.265 . 0 0 "[ . ]" 1
248 1 33 LEU HA 1 33 LEU HG 3.100 . 4.300 3.423 2.888 3.736 . 0 0 "[ . ]" 1
249 1 33 LEU HA 1 34 TRP H 3.200 . 4.500 3.246 2.991 3.484 . 0 0 "[ . ]" 1
250 1 33 LEU QB 1 33 LEU QD 3.200 . 4.400 1.906 1.787 1.972 0.213 3 0 "[ . ]" 1
251 1 33 LEU QB 1 34 TRP H 3.400 . 4.900 3.628 3.084 3.923 . 0 0 "[ . ]" 1
252 1 33 LEU QD 1 33 LEU HG 3.300 . 4.700 1.878 1.868 1.894 0.032 7 0 "[ . ]" 1
253 1 34 TRP H 1 34 TRP HA 3.000 . 4.100 2.940 2.930 2.946 . 0 0 "[ . ]" 1
254 1 34 TRP H 1 34 TRP QB 3.200 . 4.400 2.501 2.394 2.628 . 0 0 "[ . ]" 1
255 1 34 TRP H 1 35 GLY H 2.600 . 3.500 2.801 2.018 3.535 0.035 6 0 "[ . ]" 1
stop_
save_
Contact the webmaster for help, if required. Sunday, April 28, 2024 12:14:01 PM GMT (wattos1)