NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
522052 |
2lar   |
17535 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lar
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 201
_Distance_constraint_stats_list.Viol_count 40
_Distance_constraint_stats_list.Viol_total 9.589
_Distance_constraint_stats_list.Viol_max 1.167
_Distance_constraint_stats_list.Viol_rms 0.1800
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0477
_Distance_constraint_stats_list.Viol_average_violations_only 0.2397
_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 DA 3.226 1.062 1 1 [+]
1 2 DT 0.880 0.320 1 0 "[ ]"
1 3 DG 0.216 0.203 1 0 "[ ]"
1 4 DG 0.294 0.105 1 0 "[ ]"
1 5 DT 0.698 0.382 1 0 "[ ]"
1 6 BGR 0.481 0.382 1 0 "[ ]"
1 7 DC 0.537 0.403 1 0 "[ ]"
1 8 DT 0.294 0.207 1 0 "[ ]"
1 9 DC 3.346 1.167 1 1 [+]
2 1 G 0.067 0.067 1 0 "[ ]"
2 2 A 0.145 0.079 1 0 "[ ]"
2 3 G 0.089 0.066 1 0 "[ ]"
2 4 C 0.000 0.000 . 0 "[ ]"
2 5 A 0.123 0.068 1 0 "[ ]"
2 6 C 0.106 0.068 1 0 "[ ]"
2 7 C 0.131 0.131 1 0 "[ ]"
2 8 A 0.000 0.000 . 0 "[ ]"
2 9 U 0.294 0.176 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 DA H1' 1 1 DA H2 5.410 4.050 7.410 4.865 4.865 4.865 . 0 0 "[ ]" 1
2 1 1 DA H1' 1 1 DA Q2' 4.130 3.310 4.460 2.248 2.248 2.248 1.062 1 1 [+] 1
3 1 1 DA H1' 1 1 DA H3' 4.890 3.870 6.890 4.042 4.042 4.042 . 0 0 "[ ]" 1
4 1 1 DA H1' 1 1 DA H4' 3.510 3.300 5.510 3.294 3.294 3.294 0.006 1 0 "[ ]" 1
5 1 1 DA H1' 1 1 DA H8 2.950 2.850 4.950 3.468 3.468 3.468 . 0 0 "[ ]" 1
6 1 1 DA H1' 1 2 DT H6 5.000 3.770 7.000 4.755 4.755 4.755 . 0 0 "[ ]" 1
7 1 1 DA H2 1 2 DT H1' 4.390 3.790 6.390 4.408 4.408 4.408 . 0 0 "[ ]" 1
8 1 1 DA H2 2 9 U H1' 5.000 3.000 6.000 4.854 4.854 4.854 . 0 0 "[ ]" 1
9 1 1 DA Q2' 1 1 DA H3' 3.450 3.100 5.450 2.217 2.217 2.217 0.883 1 1 [+] 1
10 1 1 DA Q2' 1 1 DA H8 . 3.900 4.920 2.937 2.937 2.937 0.963 1 1 [+] 1
11 1 1 DA Q2' 1 2 DT H6 2.890 2.780 4.890 2.468 2.468 2.468 0.312 1 0 "[ ]" 1
12 1 1 DA H3' 1 1 DA H8 4.580 3.800 6.580 4.024 4.024 4.024 . 0 0 "[ ]" 1
13 1 1 DA H3' 1 2 DT H6 4.350 3.530 6.350 4.324 4.324 4.324 . 0 0 "[ ]" 1
14 1 1 DA H4' 1 1 DA H8 5.190 4.080 7.190 4.085 4.085 4.085 . 0 0 "[ ]" 1
15 1 1 DA N1 2 9 U N3 2.920 2.720 3.420 2.908 2.908 2.908 . 0 0 "[ ]" 1
16 1 1 DA N6 2 9 U O4 3.050 2.850 3.550 3.056 3.056 3.056 . 0 0 "[ ]" 1
17 1 2 DT H1' 1 2 DT H2' 3.710 3.130 5.710 3.107 3.107 3.107 0.023 1 0 "[ ]" 1
18 1 2 DT H1' 1 2 DT H3' 4.570 3.640 6.570 3.859 3.859 3.859 . 0 0 "[ ]" 1
19 1 2 DT H1' 1 2 DT H4' 2.960 2.880 4.960 2.859 2.859 2.859 0.021 1 0 "[ ]" 1
20 1 2 DT H1' 1 2 DT H6 3.430 3.110 5.430 3.603 3.603 3.603 . 0 0 "[ ]" 1
21 1 2 DT H1' 1 3 DG H8 3.160 3.040 5.160 3.224 3.224 3.224 . 0 0 "[ ]" 1
22 1 2 DT H2' 1 2 DT H3' 2.370 2.240 4.370 2.353 2.353 2.353 . 0 0 "[ ]" 1
23 1 2 DT H2' 1 2 DT H6 2.050 . 4.050 2.121 2.121 2.121 . 0 0 "[ ]" 1
24 1 2 DT H2' 1 3 DG H8 4.360 3.270 6.360 4.040 4.040 4.040 . 0 0 "[ ]" 1
25 1 2 DT H2'' 1 2 DT H3' 3.820 3.200 5.820 2.880 2.880 2.880 0.320 1 0 "[ ]" 1
26 1 2 DT H2'' 1 3 DG H8 2.610 2.490 4.610 2.287 2.287 2.287 0.203 1 0 "[ ]" 1
27 1 2 DT H3' 1 2 DT H4' 2.770 2.670 4.770 2.823 2.823 2.823 . 0 0 "[ ]" 1
28 1 2 DT H3' 1 2 DT H6 5.100 3.690 7.100 4.060 4.060 4.060 . 0 0 "[ ]" 1
29 1 2 DT H3' 1 3 DG H8 4.330 3.540 6.330 4.629 4.629 4.629 . 0 0 "[ ]" 1
30 1 2 DT N3 2 8 A N1 2.920 2.720 3.420 2.897 2.897 2.897 . 0 0 "[ ]" 1
31 1 2 DT O4 2 8 A N6 3.050 2.850 3.550 2.868 2.868 2.868 . 0 0 "[ ]" 1
32 1 3 DG H1 2 7 C H41 5.000 . 6.000 2.409 2.409 2.409 . 0 0 "[ ]" 1
33 1 3 DG H1 2 7 C H42 5.000 . 6.000 3.990 3.990 3.990 . 0 0 "[ ]" 1
34 1 3 DG H1 2 7 C H5 5.000 . 6.000 5.097 5.097 5.097 . 0 0 "[ ]" 1
35 1 3 DG H1 2 8 A H1' 5.500 . 6.000 4.920 4.920 4.920 . 0 0 "[ ]" 1
36 1 3 DG H1 2 8 A H2 5.000 . 6.000 4.502 4.502 4.502 . 0 0 "[ ]" 1
37 1 3 DG H1' 1 3 DG H3' 4.750 3.860 6.750 3.998 3.998 3.998 . 0 0 "[ ]" 1
38 1 3 DG H1' 1 3 DG H4' 3.030 2.890 5.030 3.119 3.119 3.119 . 0 0 "[ ]" 1
39 1 3 DG H1' 1 3 DG H8 3.360 3.230 5.360 3.643 3.643 3.643 . 0 0 "[ ]" 1
40 1 3 DG H3' 1 3 DG H8 3.710 3.380 5.710 3.371 3.371 3.371 0.009 1 0 "[ ]" 1
41 1 3 DG H3' 1 4 DG H8 5.050 4.140 7.050 4.137 4.137 4.137 0.003 1 0 "[ ]" 1
42 1 3 DG H4' 1 3 DG H8 4.010 3.590 6.010 4.135 4.135 4.135 . 0 0 "[ ]" 1
43 1 3 DG N1 2 7 C N3 3.050 2.850 3.550 2.960 2.960 2.960 . 0 0 "[ ]" 1
44 1 3 DG N2 2 7 C O2 2.960 2.760 3.460 2.884 2.884 2.884 . 0 0 "[ ]" 1
45 1 3 DG O6 2 7 C N4 3.010 2.810 3.510 2.913 2.913 2.913 . 0 0 "[ ]" 1
46 1 4 DG H1' 1 4 DG H4' 3.470 3.150 5.470 3.045 3.045 3.045 0.105 1 0 "[ ]" 1
47 1 4 DG H2' 1 4 DG H3' 2.490 2.410 4.490 2.315 2.315 2.315 0.095 1 0 "[ ]" 1
48 1 4 DG H2' 1 4 DG H8 2.750 2.670 4.750 2.852 2.852 2.852 . 0 0 "[ ]" 1
49 1 4 DG H2' 1 5 DT H6 2.720 2.570 4.720 2.528 2.528 2.528 0.042 1 0 "[ ]" 1
50 1 4 DG H3' 1 4 DG H8 3.530 3.340 5.530 3.291 3.291 3.291 0.049 1 0 "[ ]" 1
51 1 4 DG H3' 1 5 DT H6 3.450 3.150 5.450 3.533 3.533 3.533 . 0 0 "[ ]" 1
52 1 4 DG H4' 1 4 DG H8 4.230 3.710 6.230 4.328 4.328 4.328 . 0 0 "[ ]" 1
53 1 4 DG H4' 1 5 DT H6 4.830 3.660 6.830 5.165 5.165 5.165 . 0 0 "[ ]" 1
54 1 4 DG N1 2 6 C N3 3.050 2.850 3.550 2.923 2.923 2.923 . 0 0 "[ ]" 1
55 1 4 DG N2 2 6 C O2 2.960 2.760 3.460 2.806 2.806 2.806 . 0 0 "[ ]" 1
56 1 4 DG O6 2 6 C N4 3.010 2.810 3.510 2.911 2.911 2.911 . 0 0 "[ ]" 1
57 1 5 DT H1' 1 5 DT H3' 4.200 3.650 6.200 4.043 4.043 4.043 . 0 0 "[ ]" 1
58 1 5 DT H2' 1 5 DT H3' 2.610 2.510 4.610 2.252 2.252 2.252 0.258 1 0 "[ ]" 1
59 1 5 DT H2' 1 6 BGR H8 2.990 2.830 4.990 2.448 2.448 2.448 0.382 1 0 "[ ]" 1
60 1 5 DT H2'' 1 5 DT H3' 3.400 2.860 5.400 2.934 2.934 2.934 . 0 0 "[ ]" 1
61 1 5 DT H2'' 1 6 BGR H8 3.070 2.820 5.070 3.096 3.096 3.096 . 0 0 "[ ]" 1
62 1 5 DT H3' 1 5 DT H6 3.050 2.960 5.050 3.127 3.127 3.127 . 0 0 "[ ]" 1
63 1 5 DT H3' 1 6 BGR H8 4.050 3.620 6.050 4.237 4.237 4.237 . 0 0 "[ ]" 1
64 1 5 DT H6 1 6 BGR H8 3.850 3.430 5.850 4.137 4.137 4.137 . 0 0 "[ ]" 1
65 1 5 DT N3 2 5 A N1 3.050 2.850 3.550 3.046 3.046 3.046 . 0 0 "[ ]" 1
66 1 5 DT O4 2 5 A N6 3.050 2.850 3.550 2.833 2.833 2.833 0.017 1 0 "[ ]" 1
67 1 6 BGR H1' 1 6 BGR H4' 3.100 2.850 5.100 2.758 2.758 2.758 0.092 1 0 "[ ]" 1
68 1 6 BGR H1' 1 7 DC H5 5.680 4.340 7.680 5.528 5.528 5.528 . 0 0 "[ ]" 1
69 1 6 BGR H3' 1 6 BGR H8 3.390 3.230 5.390 3.223 3.223 3.223 0.007 1 0 "[ ]" 1
70 1 6 BGR H4' 1 6 BGR H8 3.890 3.590 5.890 4.281 4.281 4.281 . 0 0 "[ ]" 1
71 1 6 BGR H8 1 7 DC H5 4.190 3.660 6.190 4.240 4.240 4.240 . 0 0 "[ ]" 1
72 1 6 BGR N1 2 4 C N3 3.050 2.850 3.550 2.863 2.863 2.863 . 0 0 "[ ]" 1
73 1 6 BGR N2 2 4 C O2 2.960 2.760 3.460 2.873 2.873 2.873 . 0 0 "[ ]" 1
74 1 6 BGR O6 2 4 C N4 3.010 2.810 3.510 2.903 2.903 2.903 . 0 0 "[ ]" 1
75 1 7 DC H1' 1 7 DC H2'' 3.160 2.660 4.220 2.257 2.257 2.257 0.403 1 0 "[ ]" 1
76 1 7 DC H1' 1 7 DC H3' 4.230 3.550 6.230 4.010 4.010 4.010 . 0 0 "[ ]" 1
77 1 7 DC H1' 1 7 DC H4' 2.930 2.850 4.930 2.955 2.955 2.955 . 0 0 "[ ]" 1
78 1 7 DC H1' 1 7 DC H6 3.780 3.220 5.780 3.619 3.619 3.619 . 0 0 "[ ]" 1
79 1 7 DC H1' 1 8 DT H6 4.980 3.860 6.980 5.047 5.047 5.047 . 0 0 "[ ]" 1
80 1 7 DC H2'' 1 7 DC H3' . 3.200 4.520 3.066 3.066 3.066 0.134 1 0 "[ ]" 1
81 1 7 DC H2'' 1 7 DC H6 2.560 2.460 4.560 4.067 4.067 4.067 . 0 0 "[ ]" 1
82 1 7 DC H3' 1 7 DC H5 5.890 4.430 7.890 5.120 5.120 5.120 . 0 0 "[ ]" 1
83 1 7 DC H3' 1 7 DC H6 2.860 2.690 4.860 2.924 2.924 2.924 . 0 0 "[ ]" 1
84 1 7 DC H3' 1 8 DT H6 4.270 3.450 6.270 4.334 4.334 4.334 . 0 0 "[ ]" 1
85 1 7 DC H41 2 3 G H1 5.000 . 6.000 2.517 2.517 2.517 . 0 0 "[ ]" 1
86 1 7 DC H42 2 3 G H1 5.000 . 6.000 4.052 4.052 4.052 . 0 0 "[ ]" 1
87 1 7 DC N3 2 3 G N1 3.050 2.850 3.550 2.880 2.880 2.880 . 0 0 "[ ]" 1
88 1 7 DC N4 2 3 G O6 3.010 2.810 3.510 2.922 2.922 2.922 . 0 0 "[ ]" 1
89 1 7 DC O2 2 3 G N2 2.960 2.760 3.460 2.904 2.904 2.904 . 0 0 "[ ]" 1
90 1 8 DT H1' 1 8 DT H2' 3.550 2.750 5.550 2.844 2.844 2.844 . 0 0 "[ ]" 1
91 1 8 DT H1' 1 8 DT H3' 4.210 3.580 6.210 3.933 3.933 3.933 . 0 0 "[ ]" 1
92 1 8 DT H1' 1 8 DT H4' 2.780 2.680 4.780 2.921 2.921 2.921 . 0 0 "[ ]" 1
93 1 8 DT H1' 1 8 DT H6 3.750 3.260 5.750 3.625 3.625 3.625 . 0 0 "[ ]" 1
94 1 8 DT H1' 1 9 DC H6 3.860 3.000 5.860 4.078 4.078 4.078 . 0 0 "[ ]" 1
95 1 8 DT H2' 1 8 DT H3' 2.420 2.360 4.420 2.273 2.273 2.273 0.087 1 0 "[ ]" 1
96 1 8 DT H2' 1 9 DC H5 3.600 3.500 5.600 3.293 3.293 3.293 0.207 1 0 "[ ]" 1
97 1 8 DT H2'' 1 8 DT H3' 4.130 2.650 6.130 2.952 2.952 2.952 . 0 0 "[ ]" 1
98 1 8 DT H2'' 1 9 DC H5 5.000 3.000 5.500 4.868 4.868 4.868 . 0 0 "[ ]" 1
99 1 8 DT H3 2 2 A H2 5.000 . 6.000 3.059 3.059 3.059 . 0 0 "[ ]" 1
100 1 8 DT H3 2 3 G H1 5.000 . 6.000 3.562 3.562 3.562 . 0 0 "[ ]" 1
101 1 8 DT H3' 1 8 DT H6 2.990 2.780 4.990 3.117 3.117 3.117 . 0 0 "[ ]" 1
102 1 8 DT H4' 1 8 DT H6 3.740 3.400 5.740 4.033 4.033 4.033 . 0 0 "[ ]" 1
103 1 8 DT H6 1 9 DC H5 3.240 2.930 5.240 3.478 3.478 3.478 . 0 0 "[ ]" 1
104 1 8 DT N3 2 2 A N1 2.920 2.720 3.420 2.965 2.965 2.965 . 0 0 "[ ]" 1
105 1 8 DT O4 2 2 A N6 3.050 2.850 3.550 2.954 2.954 2.954 . 0 0 "[ ]" 1
106 1 9 DC H1' 1 9 DC Q2' . 3.240 4.230 2.229 2.229 2.229 1.011 1 1 [+] 1
107 1 9 DC H1' 1 9 DC H3' 4.280 3.610 6.280 4.020 4.020 4.020 . 0 0 "[ ]" 1
108 1 9 DC H1' 1 9 DC H4' 2.980 2.880 4.980 2.873 2.873 2.873 0.007 1 0 "[ ]" 1
109 1 9 DC H1' 1 9 DC H6 3.700 3.190 5.700 3.548 3.548 3.548 . 0 0 "[ ]" 1
110 1 9 DC H1' 2 2 A H2 3.890 3.520 5.890 3.548 3.548 3.548 . 0 0 "[ ]" 1
111 1 9 DC Q2' 1 9 DC H3' . 3.250 4.500 2.296 2.296 2.296 0.954 1 1 [+] 1
112 1 9 DC Q2' 1 9 DC H4' . 4.360 5.240 3.193 3.193 3.193 1.167 1 1 [+] 1
113 1 9 DC Q2' 1 9 DC H6 2.290 2.170 4.290 2.505 2.505 2.505 . 0 0 "[ ]" 1
114 1 9 DC N3 2 1 G N1 3.050 2.850 3.550 2.923 2.923 2.923 . 0 0 "[ ]" 1
115 1 9 DC N4 2 1 G O6 3.010 2.810 3.510 2.885 2.885 2.885 . 0 0 "[ ]" 1
116 1 9 DC O2 2 1 G N2 2.960 2.760 3.460 2.944 2.944 2.944 . 0 0 "[ ]" 1
117 2 1 G H1' 2 1 G H2' 2.660 2.590 4.660 2.766 2.766 2.766 . 0 0 "[ ]" 1
118 2 1 G H1' 2 1 G H3' 4.110 3.590 6.110 3.916 3.916 3.916 . 0 0 "[ ]" 1
119 2 1 G H1' 2 1 G H4' 3.390 3.240 5.390 3.173 3.173 3.173 0.067 1 0 "[ ]" 1
120 2 1 G H1' 2 1 G H8 3.430 3.270 5.430 3.577 3.577 3.577 . 0 0 "[ ]" 1
121 2 1 G H1' 2 2 A H8 3.600 3.380 5.600 3.931 3.931 3.931 . 0 0 "[ ]" 1
122 2 1 G H2' 2 1 G H8 2.940 2.830 4.940 3.052 3.052 3.052 . 0 0 "[ ]" 1
123 2 1 G H3' 2 1 G H8 3.000 2.920 5.000 3.074 3.074 3.074 . 0 0 "[ ]" 1
124 2 1 G H4' 2 1 G H8 4.100 3.710 6.100 4.242 4.242 4.242 . 0 0 "[ ]" 1
125 2 2 A H1' 2 2 A H2 4.740 3.950 6.740 4.656 4.656 4.656 . 0 0 "[ ]" 1
126 2 2 A H1' 2 2 A H2' 2.590 2.510 4.500 2.661 2.661 2.661 . 0 0 "[ ]" 1
127 2 2 A H1' 2 2 A H3' 4.320 3.800 6.320 3.721 3.721 3.721 0.079 1 0 "[ ]" 1
128 2 2 A H1' 2 2 A H4' 3.260 3.140 5.260 3.342 3.342 3.342 . 0 0 "[ ]" 1
129 2 2 A H1' 2 2 A H8 3.360 3.210 5.360 3.489 3.489 3.489 . 0 0 "[ ]" 1
130 2 2 A H1' 2 3 G H8 4.290 3.570 6.290 4.506 4.506 4.506 . 0 0 "[ ]" 1
131 2 2 A H2 2 3 G H1' 3.130 3.030 5.130 3.246 3.246 3.246 . 0 0 "[ ]" 1
132 2 2 A H2' 2 3 G H1' 4.500 2.500 5.500 3.897 3.897 3.897 . 0 0 "[ ]" 1
133 2 2 A H2' 2 3 G H8 2.370 2.300 4.370 2.234 2.234 2.234 0.066 1 0 "[ ]" 1
134 2 2 A H3' 2 2 A H8 2.660 2.540 4.660 2.836 2.836 2.836 . 0 0 "[ ]" 1
135 2 2 A H3' 2 3 G H8 3.360 3.030 5.360 3.160 3.160 3.160 . 0 0 "[ ]" 1
136 2 3 G H1 2 4 C H1' 5.000 . 6.000 4.999 4.999 4.999 . 0 0 "[ ]" 1
137 2 3 G H1' 2 3 G H2' 2.690 2.540 4.690 2.672 2.672 2.672 . 0 0 "[ ]" 1
138 2 3 G H1' 2 3 G H3' 3.470 3.270 5.470 3.639 3.639 3.639 . 0 0 "[ ]" 1
139 2 3 G H1' 2 3 G H4' 3.180 3.000 5.180 3.261 3.261 3.261 . 0 0 "[ ]" 1
140 2 3 G H1' 2 3 G H8 3.320 3.200 5.320 3.592 3.592 3.592 . 0 0 "[ ]" 1
141 2 3 G H1' 2 4 C H6 4.440 3.620 6.440 4.571 4.571 4.571 . 0 0 "[ ]" 1
142 2 3 G H2' 2 3 G H8 3.590 3.320 5.590 3.758 3.758 3.758 . 0 0 "[ ]" 1
143 2 3 G H2' 2 4 C H1' 3.860 3.560 5.860 3.945 3.945 3.945 . 0 0 "[ ]" 1
144 2 3 G H2' 2 4 C H5 3.560 3.130 5.560 3.636 3.636 3.636 . 0 0 "[ ]" 1
145 2 3 G H3' 2 3 G H8 2.770 2.600 4.770 2.577 2.577 2.577 0.023 1 0 "[ ]" 1
146 2 3 G H4' 2 3 G H8 4.000 2.900 5.000 4.078 4.078 4.078 . 0 0 "[ ]" 1
147 2 3 G H8 2 4 C H5 4.370 3.650 6.370 4.234 4.234 4.234 . 0 0 "[ ]" 1
148 2 4 C H1' 2 4 C H4' 3.360 3.170 5.360 3.425 3.425 3.425 . 0 0 "[ ]" 1
149 2 4 C H1' 2 4 C H6 3.500 3.320 5.500 3.551 3.551 3.551 . 0 0 "[ ]" 1
150 2 4 C H1' 2 5 A H8 3.690 3.410 5.690 4.075 4.075 4.075 . 0 0 "[ ]" 1
151 2 4 C H2' 2 4 C H5 4.600 3.680 6.600 4.913 4.913 4.913 . 0 0 "[ ]" 1
152 2 4 C H2' 2 5 A H1' 3.830 3.490 5.830 3.962 3.962 3.962 . 0 0 "[ ]" 1
153 2 4 C H3' 2 4 C H5 4.630 3.710 6.630 4.054 4.054 4.054 . 0 0 "[ ]" 1
154 2 5 A H1' 2 5 A H2 5.010 4.110 7.010 4.631 4.631 4.631 . 0 0 "[ ]" 1
155 2 5 A H1' 2 5 A H2' 2.590 2.540 4.590 2.663 2.663 2.663 . 0 0 "[ ]" 1
156 2 5 A H1' 2 5 A H3' 3.910 3.480 5.910 3.722 3.722 3.722 . 0 0 "[ ]" 1
157 2 5 A H1' 2 5 A H4' 3.400 3.200 5.400 3.408 3.408 3.408 . 0 0 "[ ]" 1
158 2 5 A H1' 2 5 A H8 3.430 3.270 5.430 3.551 3.551 3.551 . 0 0 "[ ]" 1
159 2 5 A H1' 2 6 C H6 6.240 4.780 8.240 4.745 4.745 4.745 0.035 1 0 "[ ]" 1
160 2 5 A H2 2 5 A H2' 5.340 4.090 7.340 4.520 4.520 4.520 . 0 0 "[ ]" 1
161 2 5 A H2 2 6 C H1' 3.260 3.150 5.260 3.184 3.184 3.184 . 0 0 "[ ]" 1
162 2 5 A H2' 2 6 C H5 4.310 3.570 6.310 3.838 3.838 3.838 . 0 0 "[ ]" 1
163 2 5 A H3' 2 6 C H5 4.010 3.540 6.010 3.472 3.472 3.472 0.068 1 0 "[ ]" 1
164 2 5 A H3' 2 6 C H6 3.200 2.970 5.200 2.967 2.967 2.967 0.003 1 0 "[ ]" 1
165 2 5 A H8 2 6 C H5 3.880 3.420 5.880 4.040 4.040 4.040 . 0 0 "[ ]" 1
166 2 6 C H1' 2 6 C H2' 2.600 2.560 4.600 2.712 2.712 2.712 . 0 0 "[ ]" 1
167 2 6 C H1' 2 6 C H3' 4.130 3.650 6.130 3.793 3.793 3.793 . 0 0 "[ ]" 1
168 2 6 C H1' 2 6 C H4' 3.450 3.280 5.450 3.288 3.288 3.288 . 0 0 "[ ]" 1
169 2 6 C H1' 2 6 C H6 3.400 3.160 5.400 3.514 3.514 3.514 . 0 0 "[ ]" 1
170 2 6 C H1' 2 7 C H6 5.740 4.220 7.740 4.965 4.965 4.965 . 0 0 "[ ]" 1
171 2 6 C H2' 2 6 C H6 3.950 3.340 5.950 3.902 3.902 3.902 . 0 0 "[ ]" 1
172 2 6 C H3' 2 6 C H5 4.720 3.690 6.720 4.685 4.685 4.685 . 0 0 "[ ]" 1
173 2 6 C H3' 2 7 C H5 3.670 3.300 5.670 3.774 3.774 3.774 . 0 0 "[ ]" 1
174 2 6 C H5 2 7 C H5 4.040 3.750 6.040 4.109 4.109 4.109 . 0 0 "[ ]" 1
175 2 6 C H6 2 7 C H5 4.670 3.800 6.670 4.313 4.313 4.313 . 0 0 "[ ]" 1
176 2 7 C H1' 2 7 C H3' 3.350 3.170 5.350 3.582 3.582 3.582 . 0 0 "[ ]" 1
177 2 7 C H1' 2 7 C H4' 3.750 3.500 5.750 3.369 3.369 3.369 0.131 1 0 "[ ]" 1
178 2 7 C H1' 2 7 C H6 3.760 3.370 5.760 3.629 3.629 3.629 . 0 0 "[ ]" 1
179 2 7 C H1' 2 8 A H8 5.150 3.920 7.150 4.615 4.615 4.615 . 0 0 "[ ]" 1
180 2 7 C H3' 2 7 C H5 5.730 4.400 7.730 4.455 4.455 4.455 . 0 0 "[ ]" 1
181 2 7 C H3' 2 7 C H6 2.320 2.280 4.320 2.349 2.349 2.349 . 0 0 "[ ]" 1
182 2 7 C H3' 2 8 A H8 2.690 2.580 4.690 2.807 2.807 2.807 . 0 0 "[ ]" 1
183 2 8 A H1' 2 8 A H2 4.280 3.610 6.280 4.445 4.445 4.445 . 0 0 "[ ]" 1
184 2 8 A H1' 2 8 A H4' 3.320 3.170 5.320 3.369 3.369 3.369 . 0 0 "[ ]" 1
185 2 8 A H1' 2 8 A H8 3.340 3.190 5.340 3.657 3.657 3.657 . 0 0 "[ ]" 1
186 2 8 A H1' 2 9 U H6 5.210 4.180 7.210 4.600 4.600 4.600 . 0 0 "[ ]" 1
187 2 8 A H2 2 9 U H1' 4.160 3.770 6.160 4.026 4.026 4.026 . 0 0 "[ ]" 1
188 2 8 A H2' 2 9 U H5 3.670 3.130 5.670 3.729 3.729 3.729 . 0 0 "[ ]" 1
189 2 8 A H3' 2 8 A H8 2.490 2.430 4.490 2.562 2.562 2.562 . 0 0 "[ ]" 1
190 2 8 A H3' 2 9 U H5 4.490 3.750 6.490 3.789 3.789 3.789 . 0 0 "[ ]" 1
191 2 8 A H3' 2 9 U H6 3.500 3.170 5.500 3.261 3.261 3.261 . 0 0 "[ ]" 1
192 2 8 A H4' 2 8 A H8 4.120 3.370 6.120 4.140 4.140 4.140 . 0 0 "[ ]" 1
193 2 8 A H8 2 9 U H5 3.930 3.480 5.930 3.986 3.986 3.986 . 0 0 "[ ]" 1
194 2 9 U H1' 2 9 U H2' 2.890 2.840 4.890 2.782 2.782 2.782 0.058 1 0 "[ ]" 1
195 2 9 U H1' 2 9 U H3' 3.210 3.100 5.210 3.599 3.599 3.599 . 0 0 "[ ]" 1
196 2 9 U H1' 2 9 U H4' 4.020 3.640 6.020 3.464 3.464 3.464 0.176 1 0 "[ ]" 1
197 2 9 U H1' 2 9 U H6 4.070 3.560 6.070 3.587 3.587 3.587 . 0 0 "[ ]" 1
198 2 9 U H2' 2 9 U H6 3.090 2.900 5.090 3.330 3.330 3.330 . 0 0 "[ ]" 1
199 2 9 U H3' 2 9 U H5 5.080 3.750 7.080 4.296 4.296 4.296 . 0 0 "[ ]" 1
200 2 9 U H3' 2 9 U H6 2.580 2.470 4.580 2.420 2.420 2.420 0.050 1 0 "[ ]" 1
201 2 9 U H5 2 9 U H6 2.620 2.450 4.620 2.441 2.441 2.441 0.009 1 0 "[ ]" 1
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