NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
581445 |
2mnc   |
19887 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mnc
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 249
_Distance_constraint_stats_list.Viol_count 859
_Distance_constraint_stats_list.Viol_total 394.310
_Distance_constraint_stats_list.Viol_max 0.266
_Distance_constraint_stats_list.Viol_rms 0.0230
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0081
_Distance_constraint_stats_list.Viol_average_violations_only 0.0328
_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 8 C 3.980 0.085 13 0 "[ . 1 ]"
1 9 C 4.235 0.085 13 0 "[ . 1 ]"
1 10 G 1.731 0.103 6 0 "[ . 1 ]"
1 11 U 1.435 0.103 6 0 "[ . 1 ]"
1 12 U 0.608 0.084 5 0 "[ . 1 ]"
1 13 G 3.099 0.178 8 0 "[ . 1 ]"
1 14 A 2.356 0.178 8 0 "[ . 1 ]"
1 15 A 3.706 0.136 11 0 "[ . 1 ]"
1 16 U 3.463 0.259 14 0 "[ . 1 ]"
1 17 C 3.625 0.259 14 0 "[ . 1 ]"
1 18 U 1.994 0.093 4 0 "[ . 1 ]"
1 19 C 2.287 0.090 12 0 "[ . 1 ]"
1 20 A 9.006 0.266 13 0 "[ . 1 ]"
1 21 C 6.229 0.209 10 0 "[ . 1 ]"
1 22 G 2.936 0.122 13 0 "[ . 1 ]"
1 23 G 2.808 0.122 13 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 8 C C5 1 23 G C5 7.000 6.800 7.200 7.096 6.994 7.145 . 0 0 "[ . 1 ]" 1
2 1 8 C H1' 1 9 C H1' 5.900 5.700 6.100 5.740 5.681 5.852 0.019 12 0 "[ . 1 ]" 1
3 1 8 C H1' 1 9 C H2' 7.800 7.600 8.000 7.654 7.594 7.743 0.006 13 0 "[ . 1 ]" 1
4 1 8 C H1' 1 9 C H3' 7.000 6.800 7.200 6.942 6.837 7.017 . 0 0 "[ . 1 ]" 1
5 1 8 C H1' 1 9 C H4' 6.400 6.200 6.600 6.264 6.230 6.386 . 0 0 "[ . 1 ]" 1
6 1 8 C H1' 1 9 C H5 5.000 4.800 5.200 5.206 5.128 5.226 0.026 12 0 "[ . 1 ]" 1
7 1 8 C H1' 1 9 C H5' 4.700 4.500 4.900 4.635 4.610 4.750 . 0 0 "[ . 1 ]" 1
8 1 8 C H1' 1 9 C H5'' 6.400 6.200 6.600 6.330 6.302 6.435 . 0 0 "[ . 1 ]" 1
9 1 8 C H1' 1 9 C H6 4.300 4.100 4.500 4.577 4.572 4.585 0.085 13 0 "[ . 1 ]" 1
10 1 8 C H2' 1 9 C H1' 4.200 4.000 4.400 4.306 4.265 4.361 . 0 0 "[ . 1 ]" 1
11 1 8 C H2' 1 9 C H2' 5.400 5.200 5.600 5.362 5.313 5.416 . 0 0 "[ . 1 ]" 1
12 1 8 C H2' 1 9 C H3' 4.300 4.100 4.500 4.348 4.204 4.425 . 0 0 "[ . 1 ]" 1
13 1 8 C H2' 1 9 C H4' 4.400 4.200 4.600 4.595 4.566 4.611 0.011 13 0 "[ . 1 ]" 1
14 1 8 C H2' 1 9 C H5 . 2.900 3.000 3.009 2.990 3.025 0.025 8 0 "[ . 1 ]" 1
15 1 8 C H2' 1 9 C H5' 2.900 2.700 3.100 3.111 3.101 3.127 0.027 13 0 "[ . 1 ]" 1
16 1 8 C H2' 1 9 C H5'' 4.300 4.100 4.500 4.369 4.343 4.391 . 0 0 "[ . 1 ]" 1
17 1 8 C H3' 1 9 C H1' 6.400 6.200 6.600 6.586 6.559 6.613 0.013 14 0 "[ . 1 ]" 1
18 1 8 C H3' 1 9 C H2' 7.000 6.800 7.200 7.052 7.028 7.069 . 0 0 "[ . 1 ]" 1
19 1 8 C H3' 1 9 C H3' 5.300 5.100 5.500 5.478 5.364 5.506 0.006 6 0 "[ . 1 ]" 1
20 1 8 C H3' 1 9 C H4' 6.100 5.900 6.300 6.229 6.219 6.236 . 0 0 "[ . 1 ]" 1
21 1 8 C H3' 1 9 C H5 . 3.000 3.400 3.380 3.340 3.409 0.009 14 0 "[ . 1 ]" 1
22 1 8 C H3' 1 9 C H5' 4.000 3.800 4.200 4.180 4.154 4.209 0.009 12 0 "[ . 1 ]" 1
23 1 8 C H3' 1 9 C H5'' 4.900 4.700 5.100 5.068 5.055 5.079 . 0 0 "[ . 1 ]" 1
24 1 8 C H3' 1 9 C H6 3.100 2.900 3.300 3.341 3.332 3.348 0.048 7 0 "[ . 1 ]" 1
25 1 8 C H4' 1 9 C H1' 7.700 7.500 7.900 7.661 7.585 7.748 . 0 0 "[ . 1 ]" 1
26 1 8 C H4' 1 9 C H2' 8.800 8.600 9.000 8.788 8.753 8.826 . 0 0 "[ . 1 ]" 1
27 1 8 C H4' 1 9 C H3' 7.100 6.900 7.300 7.163 7.108 7.192 . 0 0 "[ . 1 ]" 1
28 1 8 C H4' 1 9 C H4' 6.700 6.500 6.900 6.642 6.597 6.675 . 0 0 "[ . 1 ]" 1
29 1 8 C H4' 1 9 C H5 6.000 5.800 6.200 6.140 6.108 6.165 . 0 0 "[ . 1 ]" 1
30 1 8 C H4' 1 9 C H5' 4.200 4.000 4.400 4.212 4.166 4.238 . 0 0 "[ . 1 ]" 1
31 1 8 C H4' 1 9 C H5'' 5.500 5.300 5.700 5.516 5.492 5.567 . 0 0 "[ . 1 ]" 1
32 1 8 C H4' 1 9 C H6 5.200 5.000 5.400 5.363 5.346 5.381 . 0 0 "[ . 1 ]" 1
33 1 8 C H41 1 23 G O6 1.900 . 2.000 1.980 1.853 2.014 0.014 4 0 "[ . 1 ]" 1
34 1 8 C H5' 1 9 C H1' 9.500 9.300 9.700 9.495 9.455 9.565 . 0 0 "[ . 1 ]" 1
35 1 8 C H5' 1 9 C H2' 10.500 10.300 10.700 10.520 10.489 10.542 . 0 0 "[ . 1 ]" 1
36 1 8 C H5' 1 9 C H3' 8.800 8.600 9.000 8.948 8.860 8.977 . 0 0 "[ . 1 ]" 1
37 1 8 C H5' 1 9 C H4' 8.900 8.700 9.100 8.939 8.903 8.968 . 0 0 "[ . 1 ]" 1
38 1 8 C H5' 1 9 C H5 6.500 6.300 6.700 6.709 6.683 6.724 0.024 9 0 "[ . 1 ]" 1
39 1 8 C H5' 1 9 C H5' 6.400 6.200 6.600 6.538 6.495 6.567 . 0 0 "[ . 1 ]" 1
40 1 8 C H5' 1 9 C H5'' 7.600 7.400 7.800 7.717 7.697 7.749 . 0 0 "[ . 1 ]" 1
41 1 8 C H5' 1 9 C H6 6.600 6.400 6.800 6.819 6.815 6.828 0.028 13 0 "[ . 1 ]" 1
42 1 8 C H5'' 1 9 C H1' 9.200 9.000 9.400 9.233 9.188 9.285 . 0 0 "[ . 1 ]" 1
43 1 8 C H5'' 1 9 C H2' 9.800 9.600 10.000 9.854 9.829 9.898 . 0 0 "[ . 1 ]" 1
44 1 8 C H5'' 1 9 C H3' 7.800 7.600 8.000 8.002 7.931 8.015 0.015 8 0 "[ . 1 ]" 1
45 1 8 C H5'' 1 9 C H4' 8.100 7.900 8.300 8.207 8.171 8.229 . 0 0 "[ . 1 ]" 1
46 1 8 C H5'' 1 9 C H5 6.600 6.400 6.800 6.363 6.351 6.376 0.049 4 0 "[ . 1 ]" 1
47 1 8 C H5'' 1 9 C H5' 5.600 5.400 5.800 5.767 5.719 5.802 0.002 4 0 "[ . 1 ]" 1
48 1 8 C H5'' 1 9 C H5'' 6.500 6.300 6.700 6.619 6.597 6.652 . 0 0 "[ . 1 ]" 1
49 1 8 C H5'' 1 9 C H6 6.100 5.900 6.300 6.254 6.243 6.266 . 0 0 "[ . 1 ]" 1
50 1 8 C H6 1 9 C H1' 7.800 7.600 8.000 7.724 7.650 7.762 . 0 0 "[ . 1 ]" 1
51 1 8 C H6 1 9 C H2' 8.900 8.700 9.100 8.675 8.669 8.686 0.031 13 0 "[ . 1 ]" 1
52 1 8 C H6 1 9 C H3' 7.700 7.500 7.900 7.616 7.493 7.660 0.007 13 0 "[ . 1 ]" 1
53 1 8 C H6 1 9 C H4' 8.400 8.200 8.600 8.238 8.221 8.301 . 0 0 "[ . 1 ]" 1
54 1 8 C H6 1 9 C H5 4.000 3.800 4.200 4.083 4.049 4.121 . 0 0 "[ . 1 ]" 1
55 1 8 C H6 1 9 C H5' 6.400 6.200 6.600 6.311 6.274 6.392 . 0 0 "[ . 1 ]" 1
56 1 8 C H6 1 9 C H5'' 7.700 7.500 7.900 7.510 7.483 7.587 0.017 14 0 "[ . 1 ]" 1
57 1 8 C H6 1 9 C H6 5.000 4.800 5.200 5.023 4.982 5.070 . 0 0 "[ . 1 ]" 1
58 1 8 C N1 1 23 G N3 6.800 6.600 7.000 6.889 6.747 7.011 0.011 13 0 "[ . 1 ]" 1
59 1 8 C N3 1 23 G H1 1.900 . 2.000 1.980 1.889 2.017 0.017 1 0 "[ . 1 ]" 1
60 1 8 C N3 1 23 G H22 3.000 2.900 3.100 3.029 2.889 3.112 0.012 14 0 "[ . 1 ]" 1
61 1 8 C N3 1 23 G N1 2.900 2.700 3.100 2.951 2.868 2.997 . 0 0 "[ . 1 ]" 1
62 1 8 C N4 1 23 G O6 2.900 2.700 3.100 2.975 2.831 3.013 . 0 0 "[ . 1 ]" 1
63 1 8 C O2 1 23 G H22 1.900 . 2.000 1.871 1.783 2.011 0.017 6 0 "[ . 1 ]" 1
64 1 8 C O2 1 23 G N2 2.800 2.600 3.000 2.823 2.776 2.956 . 0 0 "[ . 1 ]" 1
65 1 9 C C5 1 22 G C5 7.000 6.800 7.200 7.031 6.877 7.133 . 0 0 "[ . 1 ]" 1
66 1 9 C H1' 1 10 G H8 2.500 2.500 5.000 4.965 4.560 5.052 0.052 8 0 "[ . 1 ]" 1
67 1 9 C H2' 1 10 G H8 2.000 . 4.000 2.434 1.993 2.791 0.007 2 0 "[ . 1 ]" 1
68 1 9 C H3' 1 10 G H8 2.000 . 4.000 2.793 1.995 3.441 0.005 8 0 "[ . 1 ]" 1
69 1 9 C H41 1 22 G O6 1.900 . 2.000 1.840 1.786 2.006 0.014 13 0 "[ . 1 ]" 1
70 1 9 C H6 1 10 G H8 2.500 2.500 6.000 4.324 3.824 4.900 . 0 0 "[ . 1 ]" 1
71 1 9 C N1 1 22 G N3 6.800 6.600 7.000 6.971 6.744 7.035 0.035 6 0 "[ . 1 ]" 1
72 1 9 C N3 1 22 G H1 1.900 . 2.000 1.953 1.929 2.001 0.001 9 0 "[ . 1 ]" 1
73 1 9 C N3 1 22 G H22 3.000 2.900 3.100 2.941 2.882 3.107 0.018 6 0 "[ . 1 ]" 1
74 1 9 C N3 1 22 G N1 2.900 2.700 3.100 2.939 2.866 2.992 . 0 0 "[ . 1 ]" 1
75 1 9 C N4 1 22 G O6 2.900 2.700 3.100 2.827 2.765 3.003 . 0 0 "[ . 1 ]" 1
76 1 9 C O2 1 22 G H22 1.900 . 2.000 1.952 1.855 2.002 0.002 6 0 "[ . 1 ]" 1
77 1 9 C O2 1 22 G N2 2.800 2.600 3.000 2.927 2.781 3.004 0.004 6 0 "[ . 1 ]" 1
78 1 10 G C5 1 21 C C5 7.000 6.800 7.200 6.828 6.742 7.002 0.058 13 0 "[ . 1 ]" 1
79 1 10 G H1 1 21 C N3 1.900 . 2.000 1.976 1.879 2.058 0.058 13 0 "[ . 1 ]" 1
80 1 10 G H1 1 22 G H1 3.000 . 4.500 4.321 3.448 4.513 0.013 7 0 "[ . 1 ]" 1
81 1 10 G H1' 1 10 G H8 2.500 2.500 5.000 3.688 3.566 3.784 . 0 0 "[ . 1 ]" 1
82 1 10 G H1' 1 11 U H5 2.500 2.500 6.000 5.325 4.716 6.028 0.028 13 0 "[ . 1 ]" 1
83 1 10 G H1' 1 11 U H6 2.500 2.500 5.000 4.783 3.573 5.063 0.063 14 0 "[ . 1 ]" 1
84 1 10 G H2' 1 10 G H8 2.500 2.500 5.000 3.697 3.311 4.145 . 0 0 "[ . 1 ]" 1
85 1 10 G H22 1 21 C N3 3.000 2.900 3.100 2.967 2.876 3.108 0.024 9 0 "[ . 1 ]" 1
86 1 10 G H22 1 21 C O2 1.900 . 2.000 1.981 1.842 2.023 0.023 10 0 "[ . 1 ]" 1
87 1 10 G H3' 1 11 U H6 2.000 . 4.000 3.506 2.967 4.103 0.103 6 0 "[ . 1 ]" 1
88 1 10 G H8 1 11 U H6 2.500 2.500 6.000 5.595 4.874 6.053 0.053 6 0 "[ . 1 ]" 1
89 1 10 G N1 1 21 C N3 2.900 2.700 3.100 2.895 2.845 2.947 . 0 0 "[ . 1 ]" 1
90 1 10 G N2 1 21 C O2 2.800 2.600 3.000 2.918 2.753 3.016 0.016 12 0 "[ . 1 ]" 1
91 1 10 G N3 1 21 C N1 6.800 6.600 7.000 6.794 6.575 7.049 0.049 12 0 "[ . 1 ]" 1
92 1 10 G O6 1 21 C H41 1.900 . 2.000 1.950 1.791 2.047 0.047 1 0 "[ . 1 ]" 1
93 1 10 G O6 1 21 C N4 2.900 2.700 3.100 2.809 2.739 3.001 . 0 0 "[ . 1 ]" 1
94 1 11 U H1' 1 11 U H5 2.500 2.500 6.000 5.398 5.327 5.431 . 0 0 "[ . 1 ]" 1
95 1 11 U H1' 1 11 U H6 2.500 2.500 5.000 3.683 3.579 3.743 . 0 0 "[ . 1 ]" 1
96 1 11 U H1' 1 12 U H5 2.500 2.500 6.000 4.858 4.212 6.002 0.002 8 0 "[ . 1 ]" 1
97 1 11 U H1' 1 12 U H6 2.500 2.500 5.000 3.463 2.741 4.944 . 0 0 "[ . 1 ]" 1
98 1 11 U H2' 1 11 U H6 2.000 . 4.000 2.633 2.126 3.272 . 0 0 "[ . 1 ]" 1
99 1 11 U H3 1 20 A N1 1.900 . 2.000 2.039 2.017 2.078 0.078 5 0 "[ . 1 ]" 1
100 1 11 U H6 1 12 U H5 2.500 2.500 6.000 4.286 3.195 5.017 . 0 0 "[ . 1 ]" 1
101 1 11 U H6 1 12 U H6 2.500 2.500 5.000 4.843 4.245 5.084 0.084 5 0 "[ . 1 ]" 1
102 1 12 U H1' 1 12 U H5 2.500 2.500 6.000 5.300 5.211 5.418 . 0 0 "[ . 1 ]" 1
103 1 12 U H1' 1 12 U H6 2.000 . 4.000 3.539 3.408 3.711 . 0 0 "[ . 1 ]" 1
104 1 12 U H1' 1 13 G H1' 2.500 2.500 6.000 5.369 3.803 6.030 0.030 8 0 "[ . 1 ]" 1
105 1 12 U H1' 1 20 A H2 2.500 2.500 6.000 4.933 2.681 6.004 0.004 4 0 "[ . 1 ]" 1
106 1 12 U H6 1 20 A H2 2.500 2.500 6.000 5.608 3.799 6.036 0.036 11 0 "[ . 1 ]" 1
107 1 13 G C5 1 19 C C5 7.000 6.800 7.200 6.760 6.710 6.787 0.090 12 0 "[ . 1 ]" 1
108 1 13 G H1 1 19 C N3 1.900 . 2.000 1.961 1.890 2.031 0.031 12 0 "[ . 1 ]" 1
109 1 13 G H1' 1 13 G H8 2.500 2.500 5.000 3.674 3.468 3.874 . 0 0 "[ . 1 ]" 1
110 1 13 G H1' 1 14 A H1' 2.500 2.500 6.000 4.910 3.342 5.753 . 0 0 "[ . 1 ]" 1
111 1 13 G H1' 1 14 A H8 2.500 2.500 5.000 4.881 3.828 5.091 0.091 12 0 "[ . 1 ]" 1
112 1 13 G H1' 1 20 A H2 2.500 2.500 6.000 5.640 4.433 6.048 0.048 9 0 "[ . 1 ]" 1
113 1 13 G H2' 1 13 G H8 2.500 2.500 5.000 3.746 2.583 4.294 . 0 0 "[ . 1 ]" 1
114 1 13 G H2' 1 14 A H1' 2.500 2.500 5.000 3.659 2.494 5.178 0.178 8 0 "[ . 1 ]" 1
115 1 13 G H2' 1 14 A H8 2.500 2.500 5.000 2.808 2.413 3.686 0.087 12 0 "[ . 1 ]" 1
116 1 13 G H22 1 19 C N3 3.000 2.900 3.100 2.943 2.870 3.110 0.030 2 0 "[ . 1 ]" 1
117 1 13 G H22 1 19 C O2 1.900 . 2.000 2.011 1.974 2.028 0.028 5 0 "[ . 1 ]" 1
118 1 13 G H8 1 14 A H8 2.500 2.500 5.000 4.155 3.155 5.063 0.063 8 0 "[ . 1 ]" 1
119 1 13 G H8 1 20 A H2 2.500 2.500 6.000 5.677 4.440 6.046 0.046 8 0 "[ . 1 ]" 1
120 1 13 G N1 1 19 C N3 2.900 2.700 3.100 2.932 2.864 2.998 . 0 0 "[ . 1 ]" 1
121 1 13 G N2 1 19 C O2 2.800 2.600 3.000 2.986 2.813 3.019 0.019 11 0 "[ . 1 ]" 1
122 1 13 G N3 1 19 C N1 6.800 6.600 7.000 6.737 6.594 6.925 0.006 12 0 "[ . 1 ]" 1
123 1 13 G O6 1 19 C H41 1.900 . 2.000 2.023 1.939 2.063 0.063 7 0 "[ . 1 ]" 1
124 1 13 G O6 1 19 C N4 2.900 2.700 3.100 2.833 2.740 3.062 . 0 0 "[ . 1 ]" 1
125 1 14 A H1' 1 14 A H2 2.500 2.500 6.000 4.899 4.590 5.094 . 0 0 "[ . 1 ]" 1
126 1 14 A H1' 1 14 A H8 2.500 2.500 5.000 3.619 3.486 3.821 . 0 0 "[ . 1 ]" 1
127 1 14 A H1' 1 15 A H1' 2.500 2.500 6.000 5.520 4.779 6.066 0.066 8 0 "[ . 1 ]" 1
128 1 14 A H1' 1 15 A H8 2.500 2.500 5.000 5.005 4.652 5.052 0.052 10 0 "[ . 1 ]" 1
129 1 14 A H2 1 15 A H1' 2.000 . 4.000 3.240 2.592 4.013 0.013 8 0 "[ . 1 ]" 1
130 1 14 A H2 1 17 C H1' 2.500 2.500 6.000 5.964 5.488 6.071 0.071 14 0 "[ . 1 ]" 1
131 1 14 A H2' 1 15 A H1' 2.500 2.500 5.000 3.505 2.710 4.292 . 0 0 "[ . 1 ]" 1
132 1 14 A H2' 1 15 A H8 2.500 2.500 5.000 2.788 2.457 3.318 0.043 5 0 "[ . 1 ]" 1
133 1 14 A H3' 1 15 A H8 2.000 . 4.000 3.063 2.072 3.997 . 0 0 "[ . 1 ]" 1
134 1 14 A H8 1 15 A H8 2.500 2.500 5.000 4.420 3.829 5.019 0.019 5 0 "[ . 1 ]" 1
135 1 15 A H1' 1 15 A H8 2.500 2.500 5.000 3.561 3.413 3.831 . 0 0 "[ . 1 ]" 1
136 1 15 A H1' 1 16 U H5 2.500 2.500 5.000 4.866 2.453 5.088 0.088 5 0 "[ . 1 ]" 1
137 1 15 A H1' 1 16 U H6 2.500 2.500 6.000 3.790 2.495 4.262 0.005 14 0 "[ . 1 ]" 1
138 1 15 A H2 1 16 U H1' 2.500 2.500 6.000 4.888 3.005 6.033 0.033 14 0 "[ . 1 ]" 1
139 1 15 A H2 1 17 C H5 2.500 2.500 5.000 3.309 2.487 4.329 0.013 14 0 "[ . 1 ]" 1
140 1 15 A H2' 1 15 A H8 2.000 . 4.000 3.788 2.905 4.067 0.067 10 0 "[ . 1 ]" 1
141 1 15 A H2' 1 16 U H6 2.500 2.500 6.000 2.839 2.426 4.382 0.074 11 0 "[ . 1 ]" 1
142 1 15 A H3' 1 16 U H5 2.000 . 4.000 3.685 2.206 4.071 0.071 12 0 "[ . 1 ]" 1
143 1 15 A H3' 1 16 U H6 2.000 . 4.000 3.480 2.232 3.991 . 0 0 "[ . 1 ]" 1
144 1 15 A H8 1 16 U H5 2.500 2.500 6.000 5.715 4.710 6.053 0.053 4 0 "[ . 1 ]" 1
145 1 15 A H8 1 16 U H6 2.500 2.500 6.000 6.063 5.935 6.136 0.136 11 0 "[ . 1 ]" 1
146 1 15 A H8 1 17 C H5 2.500 2.500 6.000 6.030 5.913 6.065 0.065 11 0 "[ . 1 ]" 1
147 1 16 U H1' 1 16 U H5 2.500 2.500 6.000 5.337 5.284 5.414 . 0 0 "[ . 1 ]" 1
148 1 16 U H1' 1 16 U H6 2.500 2.500 5.000 3.597 3.516 3.709 . 0 0 "[ . 1 ]" 1
149 1 16 U H1' 1 17 C H5 2.500 2.500 5.000 4.482 3.129 5.032 0.032 7 0 "[ . 1 ]" 1
150 1 16 U H1' 1 17 C H6 2.500 2.500 5.000 4.318 2.971 4.993 . 0 0 "[ . 1 ]" 1
151 1 16 U H2' 1 16 U H6 2.000 . 4.000 3.097 2.488 3.416 . 0 0 "[ . 1 ]" 1
152 1 16 U H3' 1 17 C H6 2.000 . 4.000 4.058 3.984 4.259 0.259 14 0 "[ . 1 ]" 1
153 1 16 U H5 1 17 C H5 2.500 2.500 6.000 5.770 5.374 6.097 0.097 14 0 "[ . 1 ]" 1
154 1 16 U H6 1 17 C H5 2.500 2.500 6.000 3.962 3.483 5.197 . 0 0 "[ . 1 ]" 1
155 1 16 U H6 1 17 C H6 2.500 2.500 6.000 5.062 4.776 5.406 . 0 0 "[ . 1 ]" 1
156 1 17 C H1' 1 17 C H5 2.500 2.500 6.000 5.396 5.328 5.423 . 0 0 "[ . 1 ]" 1
157 1 17 C H1' 1 17 C H6 2.000 . 4.000 3.685 3.598 3.728 . 0 0 "[ . 1 ]" 1
158 1 17 C H1' 1 18 U H1' 2.500 2.500 6.000 5.281 3.490 6.016 0.016 4 0 "[ . 1 ]" 1
159 1 17 C H1' 1 18 U H5 2.500 2.500 5.000 3.634 2.407 5.029 0.093 4 0 "[ . 1 ]" 1
160 1 17 C H1' 1 18 U H6 2.500 2.500 5.000 2.794 2.416 3.679 0.084 13 0 "[ . 1 ]" 1
161 1 17 C H2' 1 17 C H6 1.600 . 3.000 2.668 2.109 3.116 0.116 14 0 "[ . 1 ]" 1
162 1 17 C H2' 1 18 U H5 2.500 2.500 5.000 4.451 3.011 5.078 0.078 9 0 "[ . 1 ]" 1
163 1 17 C H2' 1 18 U H6 2.500 2.500 6.000 4.266 2.813 5.311 . 0 0 "[ . 1 ]" 1
164 1 17 C H5 1 18 U H5 2.500 2.500 6.000 5.455 4.887 6.025 0.025 1 0 "[ . 1 ]" 1
165 1 17 C H6 1 18 U H6 2.500 2.500 5.000 4.921 4.534 5.080 0.080 13 0 "[ . 1 ]" 1
166 1 18 U H1' 1 18 U H5 2.500 2.500 6.000 5.228 5.052 5.395 . 0 0 "[ . 1 ]" 1
167 1 18 U H1' 1 18 U H6 2.500 2.500 5.000 3.436 3.180 3.690 . 0 0 "[ . 1 ]" 1
168 1 18 U H1' 1 19 C H1' 2.500 2.500 6.000 5.336 3.809 6.019 0.019 6 0 "[ . 1 ]" 1
169 1 18 U H1' 1 19 C H5 2.500 2.500 5.000 2.965 2.456 4.320 0.044 14 0 "[ . 1 ]" 1
170 1 18 U H1' 1 19 C H6 2.500 2.500 5.000 2.828 2.448 3.602 0.052 5 0 "[ . 1 ]" 1
171 1 18 U H2' 1 19 C H6 2.500 2.500 6.000 5.113 4.569 5.668 . 0 0 "[ . 1 ]" 1
172 1 18 U H5 1 19 C H5 2.500 2.500 6.000 5.389 3.081 6.048 0.048 8 0 "[ . 1 ]" 1
173 1 18 U H6 1 19 C H6 2.500 2.500 6.000 4.978 3.510 6.023 0.023 7 0 "[ . 1 ]" 1
174 1 19 C H1' 1 19 C H5 2.500 2.500 6.000 5.287 5.218 5.362 . 0 0 "[ . 1 ]" 1
175 1 19 C H1' 1 19 C H6 2.500 2.500 5.000 3.524 3.425 3.632 . 0 0 "[ . 1 ]" 1
176 1 19 C H1' 1 20 A H8 2.500 2.500 5.000 4.736 4.152 5.029 0.029 8 0 "[ . 1 ]" 1
177 1 19 C H2' 1 19 C H6 2.500 2.500 5.000 3.889 3.603 4.117 . 0 0 "[ . 1 ]" 1
178 1 19 C H2' 1 20 A H8 2.500 2.500 5.000 2.837 2.450 3.242 0.050 7 0 "[ . 1 ]" 1
179 1 19 C H3' 1 20 A H8 2.000 . 4.000 3.311 2.033 4.059 0.059 7 0 "[ . 1 ]" 1
180 1 19 C H6 1 20 A H8 2.500 2.500 6.000 3.958 2.815 5.265 . 0 0 "[ . 1 ]" 1
181 1 20 A H1' 1 20 A H2 2.500 2.500 6.000 5.424 5.346 5.450 . 0 0 "[ . 1 ]" 1
182 1 20 A H1' 1 20 A H8 2.500 2.500 5.000 3.227 3.206 3.284 . 0 0 "[ . 1 ]" 1
183 1 20 A H1' 1 21 C H5 2.500 2.500 6.000 5.436 5.094 6.020 0.020 12 0 "[ . 1 ]" 1
184 1 20 A H1' 1 21 C H6 2.500 2.500 5.000 4.942 3.976 5.126 0.126 9 0 "[ . 1 ]" 1
185 1 20 A H2 1 20 A H2' 2.500 2.500 6.000 4.054 4.004 4.234 . 0 0 "[ . 1 ]" 1
186 1 20 A H2 1 20 A H3' 2.500 2.500 6.000 6.180 6.142 6.266 0.266 13 0 "[ . 1 ]" 1
187 1 20 A H2 1 21 C H1' 2.500 2.500 5.000 3.691 3.124 3.983 . 0 0 "[ . 1 ]" 1
188 1 20 A H2 1 21 C H2' 2.500 2.500 6.000 5.821 5.210 6.044 0.044 4 0 "[ . 1 ]" 1
189 1 20 A H2 1 21 C H5 2.500 2.500 6.000 5.642 3.192 6.079 0.079 8 0 "[ . 1 ]" 1
190 1 20 A H2 1 21 C H6 2.500 2.500 6.000 5.257 2.982 5.785 . 0 0 "[ . 1 ]" 1
191 1 20 A H2' 1 21 C H5 2.500 2.500 6.000 3.060 2.415 3.444 0.085 13 0 "[ . 1 ]" 1
192 1 20 A H2' 1 21 C H6 2.500 2.500 6.000 2.384 2.303 2.447 0.197 12 0 "[ . 1 ]" 1
193 1 20 A H3' 1 21 C H5 2.500 2.500 5.000 3.808 3.327 4.147 . 0 0 "[ . 1 ]" 1
194 1 20 A H3' 1 21 C H6 2.000 . 4.000 2.250 1.898 3.630 0.102 11 0 "[ . 1 ]" 1
195 1 20 A H8 1 21 C H5 2.500 2.500 6.000 5.204 4.603 6.056 0.056 13 0 "[ . 1 ]" 1
196 1 20 A H8 1 21 C H6 2.500 2.500 6.000 6.097 6.021 6.209 0.209 10 0 "[ . 1 ]" 1
197 1 21 C H2' 1 22 G H8 1.600 . 3.000 2.011 1.596 2.991 0.004 12 0 "[ . 1 ]" 1
198 1 21 C H3' 1 22 G H8 2.000 . 4.000 3.102 2.418 3.701 . 0 0 "[ . 1 ]" 1
199 1 21 C H6 1 22 G H8 2.500 2.500 6.000 5.067 3.961 6.013 0.013 13 0 "[ . 1 ]" 1
200 1 22 G H1 1 23 G H1 3.000 . 4.500 4.304 3.960 4.515 0.015 12 0 "[ . 1 ]" 1
201 1 22 G H1' 1 22 G H8 2.500 2.500 5.000 3.690 3.636 3.748 . 0 0 "[ . 1 ]" 1
202 1 22 G H1' 1 23 G H1' 5.900 5.700 6.100 5.863 5.740 5.997 . 0 0 "[ . 1 ]" 1
203 1 22 G H1' 1 23 G H2' 7.800 7.600 8.000 7.807 7.703 7.884 . 0 0 "[ . 1 ]" 1
204 1 22 G H1' 1 23 G H3' 7.000 6.800 7.200 7.053 6.955 7.140 . 0 0 "[ . 1 ]" 1
205 1 22 G H1' 1 23 G H4' 6.400 6.200 6.600 6.255 6.192 6.390 0.008 3 0 "[ . 1 ]" 1
206 1 22 G H1' 1 23 G H5' 4.700 4.500 4.900 4.669 4.540 4.842 . 0 0 "[ . 1 ]" 1
207 1 22 G H1' 1 23 G H5'' 6.400 6.200 6.600 6.357 6.242 6.522 . 0 0 "[ . 1 ]" 1
208 1 22 G H1' 1 23 G H8 . 4.100 4.500 4.547 4.514 4.586 0.086 14 0 "[ . 1 ]" 1
209 1 22 G H2' 1 23 G H1' 4.200 4.000 4.400 4.221 4.131 4.320 . 0 0 "[ . 1 ]" 1
210 1 22 G H2' 1 23 G H2' 5.400 5.200 5.600 5.396 5.353 5.456 . 0 0 "[ . 1 ]" 1
211 1 22 G H2' 1 23 G H3' 4.300 4.100 4.500 4.361 4.270 4.427 . 0 0 "[ . 1 ]" 1
212 1 22 G H2' 1 23 G H4' 4.400 4.200 4.600 4.358 4.254 4.524 . 0 0 "[ . 1 ]" 1
213 1 22 G H2' 1 23 G H5' 2.900 2.700 3.100 2.922 2.769 3.067 . 0 0 "[ . 1 ]" 1
214 1 22 G H2' 1 23 G H5'' 4.300 4.100 4.500 4.216 4.106 4.329 . 0 0 "[ . 1 ]" 1
215 1 22 G H3' 1 23 G H1' 6.400 6.200 6.600 6.434 6.320 6.561 . 0 0 "[ . 1 ]" 1
216 1 22 G H3' 1 23 G H2' 7.000 6.800 7.200 6.938 6.850 7.106 . 0 0 "[ . 1 ]" 1
217 1 22 G H3' 1 23 G H3' 5.300 5.100 5.500 5.379 5.288 5.518 0.018 14 0 "[ . 1 ]" 1
218 1 22 G H3' 1 23 G H4' 6.100 5.900 6.300 6.090 5.979 6.232 . 0 0 "[ . 1 ]" 1
219 1 22 G H3' 1 23 G H5' 4.000 3.800 4.200 4.129 4.026 4.224 0.024 13 0 "[ . 1 ]" 1
220 1 22 G H3' 1 23 G H5'' 4.900 4.700 5.100 4.992 4.930 5.071 . 0 0 "[ . 1 ]" 1
221 1 22 G H3' 1 23 G H8 . 2.800 3.200 3.098 3.003 3.226 0.026 14 0 "[ . 1 ]" 1
222 1 22 G H4' 1 23 G H1' 7.700 7.500 7.900 7.785 7.680 7.866 . 0 0 "[ . 1 ]" 1
223 1 22 G H4' 1 23 G H2' 8.800 8.600 9.000 8.902 8.845 8.941 . 0 0 "[ . 1 ]" 1
224 1 22 G H4' 1 23 G H3' 7.100 6.900 7.300 7.257 7.192 7.289 . 0 0 "[ . 1 ]" 1
225 1 22 G H4' 1 23 G H4' 6.700 6.500 6.900 6.767 6.648 6.838 . 0 0 "[ . 1 ]" 1
226 1 22 G H4' 1 23 G H5' 4.200 4.000 4.400 4.374 4.243 4.414 0.014 11 0 "[ . 1 ]" 1
227 1 22 G H4' 1 23 G H5'' 5.500 5.300 5.700 5.648 5.528 5.709 0.009 9 0 "[ . 1 ]" 1
228 1 22 G H4' 1 23 G H8 5.200 5.000 5.400 5.424 5.385 5.451 0.051 2 0 "[ . 1 ]" 1
229 1 22 G H5' 1 23 G H1' 9.500 9.300 9.700 9.568 9.478 9.691 . 0 0 "[ . 1 ]" 1
230 1 22 G H5' 1 23 G H2' 10.500 10.300 10.700 10.536 10.477 10.595 . 0 0 "[ . 1 ]" 1
231 1 22 G H5' 1 23 G H3' 8.800 8.600 9.000 8.907 8.865 8.952 . 0 0 "[ . 1 ]" 1
232 1 22 G H5' 1 23 G H4' 8.900 8.700 9.100 8.926 8.783 8.992 . 0 0 "[ . 1 ]" 1
233 1 22 G H5' 1 23 G H5' 6.400 6.200 6.600 6.562 6.365 6.605 0.005 4 0 "[ . 1 ]" 1
234 1 22 G H5' 1 23 G H5'' 7.600 7.400 7.800 7.668 7.449 7.741 . 0 0 "[ . 1 ]" 1
235 1 22 G H5' 1 23 G H8 6.500 6.300 6.700 6.698 6.560 6.822 0.122 13 0 "[ . 1 ]" 1
236 1 22 G H5'' 1 23 G H1' 9.200 9.000 9.400 9.057 8.986 9.116 0.014 14 0 "[ . 1 ]" 1
237 1 22 G H5'' 1 23 G H2' 9.800 9.600 10.000 9.589 9.559 9.632 0.041 14 0 "[ . 1 ]" 1
238 1 22 G H5'' 1 23 G H3' 7.800 7.600 8.000 7.746 7.693 7.798 . 0 0 "[ . 1 ]" 1
239 1 22 G H5'' 1 23 G H4' 8.100 7.900 8.300 8.139 8.088 8.178 . 0 0 "[ . 1 ]" 1
240 1 22 G H5'' 1 23 G H5' 5.600 5.400 5.800 5.791 5.731 5.815 0.015 6 0 "[ . 1 ]" 1
241 1 22 G H5'' 1 23 G H5'' 6.500 6.300 6.700 6.569 6.530 6.616 . 0 0 "[ . 1 ]" 1
242 1 22 G H5'' 1 23 G H8 6.100 5.900 6.300 5.897 5.787 5.992 0.113 14 0 "[ . 1 ]" 1
243 1 22 G H8 1 23 G H1' 7.900 7.700 8.100 7.699 7.685 7.744 0.015 13 0 "[ . 1 ]" 1
244 1 22 G H8 1 23 G H2' 8.900 8.700 9.100 8.756 8.664 8.878 0.036 11 0 "[ . 1 ]" 1
245 1 22 G H8 1 23 G H3' 7.800 7.600 8.000 7.824 7.650 7.999 . 0 0 "[ . 1 ]" 1
246 1 22 G H8 1 23 G H4' 8.600 8.400 8.800 8.388 8.368 8.408 0.032 13 0 "[ . 1 ]" 1
247 1 22 G H8 1 23 G H5' 6.600 6.400 6.800 6.634 6.545 6.730 . 0 0 "[ . 1 ]" 1
248 1 22 G H8 1 23 G H5'' 7.900 7.700 8.100 7.831 7.705 7.965 . 0 0 "[ . 1 ]" 1
249 1 22 G H8 1 23 G H8 . 4.600 5.000 4.816 4.733 4.947 . 0 0 "[ . 1 ]" 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 28, 2024 10:34:58 PM GMT (wattos1)