NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
379722 |
1i3y   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1i3y
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 206
_Distance_constraint_stats_list.Viol_count 295
_Distance_constraint_stats_list.Viol_total 156.256
_Distance_constraint_stats_list.Viol_max 0.145
_Distance_constraint_stats_list.Viol_rms 0.0083
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0252
_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 G 0.811 0.049 7 0 "[ . 1 . 2 ]"
1 2 G 1.313 0.054 17 0 "[ . 1 . 2 ]"
1 3 C 0.810 0.054 17 0 "[ . 1 . 2 ]"
1 4 U 0.550 0.035 9 0 "[ . 1 . 2 ]"
1 5 G 0.650 0.041 11 0 "[ . 1 . 2 ]"
1 6 G 0.431 0.041 11 0 "[ . 1 . 2 ]"
1 7 C 0.158 0.029 18 0 "[ . 1 . 2 ]"
1 8 OMU 0.255 0.040 15 0 "[ . 1 . 2 ]"
1 9 G 0.019 0.019 5 0 "[ . 1 . 2 ]"
1 10 U 0.093 0.041 4 0 "[ . 1 . 2 ]"
1 11 U 0.935 0.075 21 0 "[ . 1 . 2 ]"
1 12 C 1.597 0.145 5 0 "[ . 1 . 2 ]"
1 13 G 2.008 0.145 5 0 "[ . 1 . 2 ]"
1 14 C 0.723 0.097 4 0 "[ . 1 . 2 ]"
1 15 C 1.069 0.048 10 0 "[ . 1 . 2 ]"
1 16 A 1.649 0.051 18 0 "[ . 1 . 2 ]"
1 17 G 1.346 0.051 18 0 "[ . 1 . 2 ]"
1 18 C 0.395 0.033 8 0 "[ . 1 . 2 ]"
1 19 C 0.017 0.006 20 0 "[ . 1 . 2 ]"
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 G C5' 1 1 G H8 0.000 . 5.000 3.065 2.967 3.422 . 0 0 "[ . 1 . 2 ]" 1
2 1 1 G H1 1 2 G H1 0.000 . 4.000 3.776 3.590 4.019 0.019 18 0 "[ . 1 . 2 ]" 1
3 1 1 G H1 1 2 G H1' 0.000 . 6.000 4.789 4.396 5.167 . 0 0 "[ . 1 . 2 ]" 1
4 1 1 G H1 1 19 C H1' 0.000 . 6.000 4.622 4.356 4.795 . 0 0 "[ . 1 . 2 ]" 1
5 1 1 G H1 1 19 C N4 0.000 . 4.000 3.548 3.107 4.006 0.006 20 0 "[ . 1 . 2 ]" 1
6 1 1 G H1' 1 1 G H8 0.000 . 4.000 3.646 3.589 3.695 . 0 0 "[ . 1 . 2 ]" 1
7 1 1 G H1' 1 2 G H1' 0.000 . 6.000 5.903 5.682 6.017 0.017 15 0 "[ . 1 . 2 ]" 1
8 1 1 G H1' 1 2 G H8 0.000 . 5.000 4.548 4.475 4.632 . 0 0 "[ . 1 . 2 ]" 1
9 1 1 G H2' 1 2 G H8 0.000 . 3.000 2.019 1.948 2.155 . 0 0 "[ . 1 . 2 ]" 1
10 1 1 G H3' 1 1 G H8 0.000 . 4.000 3.218 3.011 3.446 . 0 0 "[ . 1 . 2 ]" 1
11 1 1 G H3' 1 2 G H8 0.000 . 4.000 2.691 2.307 3.062 . 0 0 "[ . 1 . 2 ]" 1
12 1 1 G H4' 1 1 G H8 0.000 . 5.000 4.216 4.165 4.379 . 0 0 "[ . 1 . 2 ]" 1
13 1 1 G H8 1 2 G H8 0.000 . 5.000 5.034 5.023 5.049 0.049 7 0 "[ . 1 . 2 ]" 1
14 1 1 G N1 1 19 C N3 0.000 . 3.200 2.835 2.664 3.016 . 0 0 "[ . 1 . 2 ]" 1
15 1 1 G N2 1 2 G H1' 0.000 . 5.000 2.887 2.520 3.197 . 0 0 "[ . 1 . 2 ]" 1
16 1 2 G C5' 1 2 G H8 0.000 . 5.000 3.202 3.065 3.387 . 0 0 "[ . 1 . 2 ]" 1
17 1 2 G H1 1 3 C H1' 0.000 . 6.000 4.497 3.676 4.812 . 0 0 "[ . 1 . 2 ]" 1
18 1 2 G H1 1 18 C H1' 0.000 . 6.000 4.642 4.260 4.770 . 0 0 "[ . 1 . 2 ]" 1
19 1 2 G H1 1 18 C H5 0.000 . 6.000 5.224 5.037 5.604 . 0 0 "[ . 1 . 2 ]" 1
20 1 2 G H1 1 18 C N4 0.000 . 4.000 3.481 3.215 4.023 0.023 9 0 "[ . 1 . 2 ]" 1
21 1 2 G H1 1 19 C H1' 0.000 . 6.000 4.368 3.883 4.733 . 0 0 "[ . 1 . 2 ]" 1
22 1 2 G H1' 1 2 G H8 0.000 . 4.000 3.705 3.675 3.741 . 0 0 "[ . 1 . 2 ]" 1
23 1 2 G H1' 1 3 C H6 0.000 . 5.000 4.734 4.620 5.021 0.021 9 0 "[ . 1 . 2 ]" 1
24 1 2 G H2' 1 2 G H8 0.000 . 5.000 4.220 4.108 4.265 . 0 0 "[ . 1 . 2 ]" 1
25 1 2 G H2' 1 3 C H6 0.000 . 3.000 2.108 2.010 2.649 . 0 0 "[ . 1 . 2 ]" 1
26 1 2 G H3' 1 2 G H8 0.000 . 4.000 3.101 2.995 3.221 . 0 0 "[ . 1 . 2 ]" 1
27 1 2 G H3' 1 3 C H6 0.000 . 4.000 2.704 2.169 2.838 . 0 0 "[ . 1 . 2 ]" 1
28 1 2 G H8 1 3 C H5 0.000 . 6.000 3.800 3.305 4.007 . 0 0 "[ . 1 . 2 ]" 1
29 1 2 G H8 1 3 C H6 0.000 . 5.000 4.981 4.504 5.054 0.054 17 0 "[ . 1 . 2 ]" 1
30 1 2 G N1 1 18 C N3 0.000 . 3.200 2.785 2.670 3.022 . 0 0 "[ . 1 . 2 ]" 1
31 1 2 G N2 1 3 C H1' 0.000 . 5.000 3.041 2.661 3.418 . 0 0 "[ . 1 . 2 ]" 1
32 1 3 C H1' 1 3 C H5 0.000 . 6.000 5.337 5.322 5.359 . 0 0 "[ . 1 . 2 ]" 1
33 1 3 C H1' 1 3 C H6 0.000 . 4.000 3.590 3.567 3.619 . 0 0 "[ . 1 . 2 ]" 1
34 1 3 C H1' 1 4 U H1' 0.000 . 6.000 5.570 5.184 5.867 . 0 0 "[ . 1 . 2 ]" 1
35 1 3 C H1' 1 4 U H6 0.000 . 5.000 4.789 4.716 4.960 . 0 0 "[ . 1 . 2 ]" 1
36 1 3 C H2' 1 4 U H6 0.000 . 3.000 2.129 2.060 2.268 . 0 0 "[ . 1 . 2 ]" 1
37 1 3 C H3' 1 3 C H6 0.000 . 4.000 2.627 2.466 2.736 . 0 0 "[ . 1 . 2 ]" 1
38 1 3 C H3' 1 4 U H6 0.000 . 4.000 3.147 2.975 3.365 . 0 0 "[ . 1 . 2 ]" 1
39 1 3 C H5 1 4 U H5 0.000 . 5.000 4.035 3.903 4.208 . 0 0 "[ . 1 . 2 ]" 1
40 1 3 C H6 1 4 U H6 0.000 . 5.000 5.012 4.969 5.035 0.035 9 0 "[ . 1 . 2 ]" 1
41 1 3 C N3 1 17 G N1 0.000 . 3.200 2.966 2.750 3.228 0.028 9 0 "[ . 1 . 2 ]" 1
42 1 3 C N4 1 4 U H3 0.000 . 5.000 4.231 3.778 4.932 . 0 0 "[ . 1 . 2 ]" 1
43 1 3 C N4 1 17 G H1 0.000 . 4.000 3.844 3.384 4.006 0.006 16 0 "[ . 1 . 2 ]" 1
44 1 4 U C5' 1 4 U H6 0.000 . 5.000 2.953 2.785 3.126 . 0 0 "[ . 1 . 2 ]" 1
45 1 4 U H1' 1 4 U H5 0.000 . 6.000 5.380 5.363 5.397 . 0 0 "[ . 1 . 2 ]" 1
46 1 4 U H1' 1 4 U H6 0.000 . 4.000 3.627 3.608 3.649 . 0 0 "[ . 1 . 2 ]" 1
47 1 4 U H1' 1 5 G H1' 0.000 . 6.000 5.306 4.901 5.935 . 0 0 "[ . 1 . 2 ]" 1
48 1 4 U H1' 1 5 G H8 0.000 . 5.000 4.403 4.274 4.492 . 0 0 "[ . 1 . 2 ]" 1
49 1 4 U H2' 1 4 U H6 0.000 . 5.000 3.768 3.668 3.843 . 0 0 "[ . 1 . 2 ]" 1
50 1 4 U H2' 1 5 G H8 0.000 . 3.000 1.972 1.899 2.108 . 0 0 "[ . 1 . 2 ]" 1
51 1 4 U H3 1 5 G H1' 0.000 . 6.000 5.079 4.646 5.707 . 0 0 "[ . 1 . 2 ]" 1
52 1 4 U H3 1 16 A H2 0.000 . 3.500 2.761 2.678 2.832 . 0 0 "[ . 1 . 2 ]" 1
53 1 4 U H3' 1 4 U H6 0.000 . 4.000 2.442 2.308 2.541 . 0 0 "[ . 1 . 2 ]" 1
54 1 4 U H3' 1 5 G H8 0.000 . 4.000 3.148 2.935 3.352 . 0 0 "[ . 1 . 2 ]" 1
55 1 4 U H5 1 5 G H8 0.000 . 5.000 5.012 4.990 5.032 0.032 16 0 "[ . 1 . 2 ]" 1
56 1 4 U H6 1 5 G H8 0.000 . 5.000 4.373 4.322 4.471 . 0 0 "[ . 1 . 2 ]" 1
57 1 4 U N3 1 16 A N1 0.000 . 3.200 2.674 2.600 2.735 . 0 0 "[ . 1 . 2 ]" 1
58 1 5 G C5' 1 5 G H8 0.000 . 5.000 3.613 3.529 3.684 . 0 0 "[ . 1 . 2 ]" 1
59 1 5 G H1 1 6 G H1 0.000 . 4.000 3.733 3.436 4.003 0.003 12 0 "[ . 1 . 2 ]" 1
60 1 5 G H1 1 15 C N4 0.000 . 4.000 3.151 2.989 3.271 . 0 0 "[ . 1 . 2 ]" 1
61 1 5 G H1' 1 5 G H8 0.000 . 4.000 3.725 3.674 3.765 . 0 0 "[ . 1 . 2 ]" 1
62 1 5 G H1' 1 6 G H8 0.000 . 5.000 4.595 4.525 4.673 . 0 0 "[ . 1 . 2 ]" 1
63 1 5 G H1' 1 16 A H2 0.000 . 5.000 3.202 2.750 3.709 . 0 0 "[ . 1 . 2 ]" 1
64 1 5 G H2' 1 5 G H8 0.000 . 5.000 4.101 3.981 4.238 . 0 0 "[ . 1 . 2 ]" 1
65 1 5 G H2' 1 6 G H1' 0.000 . 5.000 3.913 3.690 4.140 . 0 0 "[ . 1 . 2 ]" 1
66 1 5 G H2' 1 6 G H8 0.000 . 3.000 1.916 1.846 2.044 . 0 0 "[ . 1 . 2 ]" 1
67 1 5 G H3' 1 5 G H8 0.000 . 4.000 3.132 3.001 3.279 . 0 0 "[ . 1 . 2 ]" 1
68 1 5 G H3' 1 6 G H8 0.000 . 4.000 3.148 2.834 3.443 . 0 0 "[ . 1 . 2 ]" 1
69 1 5 G H4' 1 5 G H8 0.000 . 5.000 4.443 4.404 4.472 . 0 0 "[ . 1 . 2 ]" 1
70 1 5 G H8 1 6 G H8 0.000 . 5.000 5.016 4.967 5.041 0.041 11 0 "[ . 1 . 2 ]" 1
71 1 5 G H8 1 16 A H2 0.000 . 6.000 4.663 4.294 5.031 . 0 0 "[ . 1 . 2 ]" 1
72 1 5 G N1 1 15 C N3 0.000 . 3.200 2.720 2.683 2.772 . 0 0 "[ . 1 . 2 ]" 1
73 1 6 G C5' 1 6 G H8 0.000 . 5.000 3.354 3.154 3.536 . 0 0 "[ . 1 . 2 ]" 1
74 1 6 G H1 1 13 G H1 0.000 . 4.000 3.021 2.752 3.232 . 0 0 "[ . 1 . 2 ]" 1
75 1 6 G H1 1 14 C H1' 0.000 . 6.000 4.855 4.527 5.236 . 0 0 "[ . 1 . 2 ]" 1
76 1 6 G H1 1 14 C N4 0.000 . 4.000 3.280 2.785 3.812 . 0 0 "[ . 1 . 2 ]" 1
77 1 6 G H1 1 15 C H1' 0.000 . 5.000 4.528 3.747 5.022 0.022 2 0 "[ . 1 . 2 ]" 1
78 1 6 G H1' 1 6 G H8 0.000 . 4.000 3.743 3.708 3.783 . 0 0 "[ . 1 . 2 ]" 1
79 1 6 G H1' 1 7 C H1' 0.000 . 6.000 5.110 4.664 5.524 . 0 0 "[ . 1 . 2 ]" 1
80 1 6 G H1' 1 7 C H5 0.000 . 6.000 5.727 5.455 6.008 0.008 11 0 "[ . 1 . 2 ]" 1
81 1 6 G H1' 1 7 C H6 0.000 . 5.000 4.796 4.638 5.000 . 2 0 "[ . 1 . 2 ]" 1
82 1 6 G H2' 1 7 C H6 0.000 . 3.000 2.092 1.984 2.274 . 0 0 "[ . 1 . 2 ]" 1
83 1 6 G H3' 1 7 C H6 0.000 . 4.000 3.173 2.634 3.693 . 0 0 "[ . 1 . 2 ]" 1
84 1 6 G N1 1 14 C N3 0.000 . 3.200 2.788 2.688 3.039 . 0 0 "[ . 1 . 2 ]" 1
85 1 7 C C5' 1 7 C H6 0.000 . 5.000 2.786 2.668 2.961 . 0 0 "[ . 1 . 2 ]" 1
86 1 7 C H1' 1 7 C H5 0.000 . 6.000 5.347 5.311 5.391 . 0 0 "[ . 1 . 2 ]" 1
87 1 7 C H1' 1 7 C H6 0.000 . 4.000 3.608 3.552 3.671 . 0 0 "[ . 1 . 2 ]" 1
88 1 7 C H1' 1 13 G H1 0.000 . 6.000 4.577 4.350 4.884 . 0 0 "[ . 1 . 2 ]" 1
89 1 7 C H2' 1 7 C H5 0.000 . 6.000 5.343 5.158 5.449 . 0 0 "[ . 1 . 2 ]" 1
90 1 7 C H2' 1 7 C H6 0.000 . 5.000 3.851 3.612 4.011 . 0 0 "[ . 1 . 2 ]" 1
91 1 7 C H2' 1 8 OMU H5 0.000 . 5.000 3.546 2.835 4.309 . 0 0 "[ . 1 . 2 ]" 1
92 1 7 C H2' 1 8 OMU H6 0.000 . 4.000 2.181 1.969 2.779 . 0 0 "[ . 1 . 2 ]" 1
93 1 7 C H2' 1 13 G H1 0.000 . 6.000 4.670 4.212 5.083 . 0 0 "[ . 1 . 2 ]" 1
94 1 7 C H3' 1 7 C H5 0.000 . 5.000 4.348 4.203 4.520 . 0 0 "[ . 1 . 2 ]" 1
95 1 7 C H3' 1 7 C H6 0.000 . 4.000 2.559 2.268 2.812 . 0 0 "[ . 1 . 2 ]" 1
96 1 7 C H3' 1 8 OMU H6 0.000 . 5.000 3.271 2.850 3.593 . 0 0 "[ . 1 . 2 ]" 1
97 1 7 C H4' 1 7 C H6 0.000 . 5.000 3.876 3.808 3.976 . 0 0 "[ . 1 . 2 ]" 1
98 1 7 C H5 1 8 OMU H5 0.000 . 5.000 4.627 3.966 5.026 0.026 2 0 "[ . 1 . 2 ]" 1
99 1 7 C H6 1 8 OMU H5 0.000 . 5.000 4.498 3.888 4.986 . 0 0 "[ . 1 . 2 ]" 1
100 1 7 C H6 1 8 OMU H6 0.000 . 6.000 5.153 4.768 5.526 . 0 0 "[ . 1 . 2 ]" 1
101 1 7 C N3 1 13 G N1 0.000 . 3.200 2.845 2.659 3.111 . 0 0 "[ . 1 . 2 ]" 1
102 1 7 C N4 1 13 G H1 0.000 . 4.000 3.704 3.135 4.029 0.029 18 0 "[ . 1 . 2 ]" 1
103 1 7 C N4 1 14 C N4 0.000 . 6.000 5.420 5.041 6.021 0.021 13 0 "[ . 1 . 2 ]" 1
104 1 8 OMU C5' 1 8 OMU H6 0.000 . 5.000 2.786 2.644 2.959 . 0 0 "[ . 1 . 2 ]" 1
105 1 8 OMU H1' 1 8 OMU H6 0.000 . 4.000 3.609 3.526 3.693 . 0 0 "[ . 1 . 2 ]" 1
106 1 8 OMU H1' 1 13 G H1 0.000 . 5.000 4.291 3.284 5.033 0.033 9 0 "[ . 1 . 2 ]" 1
107 1 8 OMU H3' 1 8 OMU H6 0.000 . 4.000 2.548 2.173 2.930 . 0 0 "[ . 1 . 2 ]" 1
108 1 8 OMU H5 1 12 C N4 0.000 . 6.000 5.465 5.079 6.040 0.040 15 0 "[ . 1 . 2 ]" 1
109 1 8 OMU H6 1 13 G H1 0.000 . 6.000 5.361 4.539 5.997 . 0 0 "[ . 1 . 2 ]" 1
110 1 9 G H1' 1 9 G H8 0.000 . 4.000 3.890 3.773 3.916 . 0 0 "[ . 1 . 2 ]" 1
111 1 9 G H1' 1 11 U H5 0.000 . 6.000 4.411 3.334 6.019 0.019 5 0 "[ . 1 . 2 ]" 1
112 1 9 G H2' 1 9 G H8 0.000 . 5.000 2.348 2.032 3.474 . 0 0 "[ . 1 . 2 ]" 1
113 1 9 G H3' 1 9 G H8 0.000 . 5.000 4.433 2.031 4.996 . 0 0 "[ . 1 . 2 ]" 1
114 1 10 U H1' 1 10 U H6 0.000 . 4.000 3.720 3.651 3.741 . 0 0 "[ . 1 . 2 ]" 1
115 1 10 U H1' 1 13 G H1' 0.000 . 7.000 6.079 4.425 7.041 0.041 4 0 "[ . 1 . 2 ]" 1
116 1 10 U H2' 1 10 U H6 0.000 . 4.000 2.493 2.001 3.053 . 0 0 "[ . 1 . 2 ]" 1
117 1 11 U C5' 1 11 U H6 0.000 . 5.000 3.338 3.021 3.764 . 0 0 "[ . 1 . 2 ]" 1
118 1 11 U H1' 1 11 U H6 0.000 . 4.000 3.660 3.591 3.727 . 0 0 "[ . 1 . 2 ]" 1
119 1 11 U H1' 1 12 C H1' 0.000 . 7.000 4.885 3.661 5.705 . 0 0 "[ . 1 . 2 ]" 1
120 1 11 U H1' 1 12 C H5 0.000 . 6.000 2.597 1.895 3.570 . 0 0 "[ . 1 . 2 ]" 1
121 1 11 U H1' 1 12 C H6 0.000 . 6.000 2.669 2.101 3.366 . 0 0 "[ . 1 . 2 ]" 1
122 1 11 U H1' 1 13 G H1' 0.000 . 7.000 5.528 2.980 7.004 0.004 15 0 "[ . 1 . 2 ]" 1
123 1 11 U H1' 1 13 G H8 0.000 . 7.000 5.965 5.270 6.063 . 0 0 "[ . 1 . 2 ]" 1
124 1 11 U H2' 1 11 U H6 0.000 . 4.000 2.813 2.141 3.152 . 0 0 "[ . 1 . 2 ]" 1
125 1 11 U H3' 1 11 U H6 0.000 . 5.000 4.637 4.266 4.865 . 0 0 "[ . 1 . 2 ]" 1
126 1 11 U H4' 1 12 C H5 0.000 . 7.000 5.051 4.282 6.285 . 0 0 "[ . 1 . 2 ]" 1
127 1 11 U H4' 1 12 C H6 0.000 . 6.000 3.128 2.217 4.368 . 0 0 "[ . 1 . 2 ]" 1
128 1 11 U H5 1 13 G H1' 0.000 . 6.000 5.955 5.295 6.052 0.052 15 0 "[ . 1 . 2 ]" 1
129 1 11 U H6 1 12 C H6 0.000 . 6.000 5.668 5.036 6.075 0.075 21 0 "[ . 1 . 2 ]" 1
130 1 11 U H6 1 13 G H1' 0.000 . 6.000 4.947 3.534 6.016 0.016 18 0 "[ . 1 . 2 ]" 1
131 1 12 C C5' 1 12 C H6 0.000 . 5.000 3.606 3.080 4.128 . 0 0 "[ . 1 . 2 ]" 1
132 1 12 C H1' 1 12 C H6 0.000 . 4.000 3.655 3.513 3.741 . 0 0 "[ . 1 . 2 ]" 1
133 1 12 C H1' 1 13 G H1' 0.000 . 6.000 4.147 3.455 4.785 . 0 0 "[ . 1 . 2 ]" 1
134 1 12 C H1' 1 13 G H8 0.000 . 6.000 2.398 1.752 3.186 . 0 0 "[ . 1 . 2 ]" 1
135 1 12 C H2' 1 12 C H6 0.000 . 4.000 2.681 1.980 3.325 . 0 0 "[ . 1 . 2 ]" 1
136 1 12 C H2' 1 13 G H8 0.000 . 5.000 3.734 2.692 4.722 . 0 0 "[ . 1 . 2 ]" 1
137 1 12 C H3' 1 12 C H6 0.000 . 5.000 4.390 3.593 5.033 0.033 5 0 "[ . 1 . 2 ]" 1
138 1 12 C H3' 1 13 G H8 0.000 . 5.000 4.564 4.349 4.783 . 0 0 "[ . 1 . 2 ]" 1
139 1 12 C H5 1 13 G H8 0.000 . 6.000 5.892 4.740 6.145 0.145 5 0 "[ . 1 . 2 ]" 1
140 1 13 G C5' 1 13 G H8 0.000 . 5.000 3.804 3.406 4.137 . 0 0 "[ . 1 . 2 ]" 1
141 1 13 G H1 1 14 C N4 0.000 . 5.000 4.601 3.840 5.027 0.027 3 0 "[ . 1 . 2 ]" 1
142 1 13 G H1' 1 13 G H8 0.000 . 4.000 3.681 3.599 3.768 . 0 0 "[ . 1 . 2 ]" 1
143 1 13 G H1' 1 14 C H5 0.000 . 6.000 5.837 5.449 6.097 0.097 4 0 "[ . 1 . 2 ]" 1
144 1 13 G H1' 1 14 C H6 0.000 . 5.000 4.792 4.604 5.006 0.006 6 0 "[ . 1 . 2 ]" 1
145 1 13 G H2' 1 13 G H8 0.000 . 5.000 4.081 3.788 4.302 . 0 0 "[ . 1 . 2 ]" 1
146 1 13 G H2' 1 14 C H1' 0.000 . 5.000 3.795 2.421 4.441 . 0 0 "[ . 1 . 2 ]" 1
147 1 13 G H2' 1 14 C H5 0.000 . 5.000 3.981 3.127 4.997 . 0 0 "[ . 1 . 2 ]" 1
148 1 13 G H2' 1 14 C H6 0.000 . 3.000 2.272 2.048 2.898 . 0 0 "[ . 1 . 2 ]" 1
149 1 13 G H3' 1 13 G H8 0.000 . 4.000 3.392 3.035 3.677 . 0 0 "[ . 1 . 2 ]" 1
150 1 13 G H3' 1 14 C H5 0.000 . 5.000 3.916 2.678 4.683 . 0 0 "[ . 1 . 2 ]" 1
151 1 13 G H3' 1 14 C H6 0.000 . 4.000 3.198 2.069 3.951 . 0 0 "[ . 1 . 2 ]" 1
152 1 13 G H8 1 14 C H5 0.000 . 5.000 4.164 3.508 4.954 . 0 0 "[ . 1 . 2 ]" 1
153 1 14 C C5' 1 14 C H6 0.000 . 5.000 2.840 2.644 3.066 . 0 0 "[ . 1 . 2 ]" 1
154 1 14 C H1' 1 14 C H6 0.000 . 4.000 3.494 3.314 3.621 . 0 0 "[ . 1 . 2 ]" 1
155 1 14 C H1' 1 15 C H1' 0.000 . 6.000 5.360 4.570 5.978 . 0 0 "[ . 1 . 2 ]" 1
156 1 14 C H2' 1 14 C H6 0.000 . 5.000 4.105 3.777 4.412 . 0 0 "[ . 1 . 2 ]" 1
157 1 14 C H2' 1 15 C H5 0.000 . 5.000 3.575 3.406 3.849 . 0 0 "[ . 1 . 2 ]" 1
158 1 14 C H2' 1 15 C H6 0.000 . 3.000 2.140 1.986 2.389 . 0 0 "[ . 1 . 2 ]" 1
159 1 14 C H3' 1 14 C H6 0.000 . 4.000 2.965 2.482 3.547 . 0 0 "[ . 1 . 2 ]" 1
160 1 14 C H5 1 15 C H5 0.000 . 5.000 4.950 4.441 5.044 0.044 4 0 "[ . 1 . 2 ]" 1
161 1 15 C C5' 1 15 C H6 0.000 . 5.000 2.783 2.664 3.051 . 0 0 "[ . 1 . 2 ]" 1
162 1 15 C H1' 1 15 C H5 0.000 . 6.000 5.351 5.327 5.392 . 0 0 "[ . 1 . 2 ]" 1
163 1 15 C H1' 1 15 C H6 0.000 . 5.000 3.609 3.577 3.667 . 0 0 "[ . 1 . 2 ]" 1
164 1 15 C H1' 1 16 A H1' 0.000 . 6.000 5.143 4.618 5.516 . 0 0 "[ . 1 . 2 ]" 1
165 1 15 C H1' 1 16 A H8 0.000 . 5.000 4.418 4.324 4.600 . 0 0 "[ . 1 . 2 ]" 1
166 1 15 C H2' 1 15 C H5 0.000 . 6.000 5.343 5.105 5.439 . 0 0 "[ . 1 . 2 ]" 1
167 1 15 C H2' 1 15 C H6 0.000 . 5.000 3.857 3.589 3.962 . 0 0 "[ . 1 . 2 ]" 1
168 1 15 C H2' 1 16 A H8 0.000 . 3.000 1.991 1.906 2.065 . 0 0 "[ . 1 . 2 ]" 1
169 1 15 C H5 1 16 A H8 0.000 . 5.000 5.034 5.017 5.048 0.048 10 0 "[ . 1 . 2 ]" 1
170 1 15 C H6 1 16 A H8 0.000 . 5.000 4.363 4.254 4.424 . 0 0 "[ . 1 . 2 ]" 1
171 1 16 A C5' 1 16 A H8 0.000 . 5.000 3.443 3.316 3.526 . 0 0 "[ . 1 . 2 ]" 1
172 1 16 A H1' 1 16 A H8 0.000 . 4.000 3.730 3.694 3.777 . 0 0 "[ . 1 . 2 ]" 1
173 1 16 A H1' 1 17 G H1' 0.000 . 6.000 5.939 5.603 6.028 0.028 14 0 "[ . 1 . 2 ]" 1
174 1 16 A H1' 1 17 G H8 0.000 . 5.000 4.552 4.479 4.717 . 0 0 "[ . 1 . 2 ]" 1
175 1 16 A H2 1 16 A H2' 0.000 . 5.000 4.559 4.447 4.762 . 0 0 "[ . 1 . 2 ]" 1
176 1 16 A H2 1 17 G H1' 0.000 . 5.000 3.933 3.403 4.652 . 0 0 "[ . 1 . 2 ]" 1
177 1 16 A H2 1 17 G H8 0.000 . 6.000 4.734 4.450 5.266 . 0 0 "[ . 1 . 2 ]" 1
178 1 16 A H2' 1 16 A H8 0.000 . 5.000 4.144 4.015 4.217 . 0 0 "[ . 1 . 2 ]" 1
179 1 16 A H2' 1 17 G H8 0.000 . 3.000 1.902 1.840 1.988 . 0 0 "[ . 1 . 2 ]" 1
180 1 16 A H3' 1 16 A H8 0.000 . 5.000 3.040 2.829 3.202 . 0 0 "[ . 1 . 2 ]" 1
181 1 16 A H3' 1 17 G H8 0.000 . 4.000 3.109 2.955 3.248 . 0 0 "[ . 1 . 2 ]" 1
182 1 16 A H8 1 17 G H8 0.000 . 5.000 5.035 4.964 5.051 0.051 18 0 "[ . 1 . 2 ]" 1
183 1 17 G C5' 1 17 G H8 0.000 . 5.000 3.359 3.101 3.482 . 0 0 "[ . 1 . 2 ]" 1
184 1 17 G H1' 1 17 G H8 0.000 . 4.000 3.735 3.712 3.781 . 0 0 "[ . 1 . 2 ]" 1
185 1 17 G H1' 1 18 C H6 0.000 . 5.000 4.725 4.634 4.833 . 0 0 "[ . 1 . 2 ]" 1
186 1 17 G H2' 1 17 G H8 0.000 . 5.000 4.131 4.045 4.184 . 0 0 "[ . 1 . 2 ]" 1
187 1 17 G H2' 1 18 C H6 0.000 . 3.000 2.034 1.944 2.158 . 0 0 "[ . 1 . 2 ]" 1
188 1 17 G H3' 1 18 C H6 0.000 . 4.000 2.894 2.687 3.034 . 0 0 "[ . 1 . 2 ]" 1
189 1 17 G H8 1 18 C H5 0.000 . 5.000 3.840 3.454 4.264 . 0 0 "[ . 1 . 2 ]" 1
190 1 17 G H8 1 18 C H6 0.000 . 5.000 5.008 4.907 5.033 0.033 8 0 "[ . 1 . 2 ]" 1
191 1 18 C H1' 1 18 C H6 0.000 . 4.000 3.598 3.563 3.620 . 0 0 "[ . 1 . 2 ]" 1
192 1 18 C H2' 1 18 C H6 0.000 . 5.000 3.879 3.791 3.982 . 0 0 "[ . 1 . 2 ]" 1
193 1 18 C H2' 1 19 C H6 0.000 . 3.000 2.142 2.072 2.235 . 0 0 "[ . 1 . 2 ]" 1
194 1 18 C H3' 1 18 C H5 0.000 . 6.000 4.410 4.345 4.504 . 0 0 "[ . 1 . 2 ]" 1
195 1 18 C H3' 1 18 C H6 0.000 . 4.000 2.628 2.518 2.787 . 0 0 "[ . 1 . 2 ]" 1
196 1 18 C H3' 1 19 C H5 0.000 . 6.000 3.111 2.809 3.362 . 0 0 "[ . 1 . 2 ]" 1
197 1 18 C H3' 1 19 C H6 0.000 . 4.000 3.016 2.686 3.171 . 0 0 "[ . 1 . 2 ]" 1
198 1 18 C H5 1 19 C H5 0.000 . 5.000 3.954 3.748 4.181 . 0 0 "[ . 1 . 2 ]" 1
199 1 18 C H5 1 19 C H6 0.000 . 6.000 5.734 5.533 5.897 . 0 0 "[ . 1 . 2 ]" 1
200 1 18 C H6 1 19 C H6 0.000 . 5.000 4.890 4.643 5.004 0.004 9 0 "[ . 1 . 2 ]" 1
201 1 19 C H1' 1 19 C H5 0.000 . 6.000 5.359 5.336 5.372 . 0 0 "[ . 1 . 2 ]" 1
202 1 19 C H1' 1 19 C H6 0.000 . 5.000 3.625 3.591 3.642 . 0 0 "[ . 1 . 2 ]" 1
203 1 19 C H2' 1 19 C H5 0.000 . 6.000 5.290 5.216 5.381 . 0 0 "[ . 1 . 2 ]" 1
204 1 19 C H2' 1 19 C H6 0.000 . 5.000 3.789 3.709 3.909 . 0 0 "[ . 1 . 2 ]" 1
205 1 19 C H3' 1 19 C H6 0.000 . 4.000 2.423 2.352 2.573 . 0 0 "[ . 1 . 2 ]" 1
206 1 19 C H4' 1 19 C H6 0.000 . 6.000 3.935 3.855 4.008 . 0 0 "[ . 1 . 2 ]" 1
stop_
save_
Contact the webmaster for help, if required. Saturday, June 22, 2024 10:30:37 AM GMT (wattos1)