NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
368741 |
1axu   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1axu
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 186
_Distance_constraint_stats_list.Viol_count 342
_Distance_constraint_stats_list.Viol_total 482.156
_Distance_constraint_stats_list.Viol_max 0.912
_Distance_constraint_stats_list.Viol_rms 0.0889
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0320
_Distance_constraint_stats_list.Viol_average_violations_only 0.1566
_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 DC 0.000 0.000 . 0 "[ . ]"
1 2 DC 2.595 0.198 6 0 "[ . ]"
1 3 DA 6.302 0.403 7 0 "[ . ]"
1 4 DT 7.034 0.860 6 3 "[ * -+ ]"
1 5 DC 6.326 0.860 6 3 "[ * -+ ]"
1 6 DG 1.142 0.206 1 0 "[ . ]"
1 7 DC 8.031 0.742 5 6 "[ * +**-*]"
1 8 DT 7.643 0.742 5 6 "[ * +**-*]"
1 9 DA 9.242 0.467 1 0 "[ . ]"
1 10 DC 5.264 0.467 1 0 "[ . ]"
1 11 DC 2.074 0.179 6 0 "[ . ]"
2 1 DG 1.822 0.912 7 1 "[ . + ]"
2 2 DG 4.053 0.327 4 0 "[ . ]"
2 3 DT 5.286 0.327 4 0 "[ . ]"
2 4 DA 0.202 0.165 1 0 "[ . ]"
2 5 DG 1.091 0.165 1 0 "[ . ]"
2 6 DA 1.140 0.263 1 0 "[ . ]"
2 7 DG 0.000 0.000 . 0 "[ . ]"
2 8 DA 1.519 0.177 9 0 "[ . ]"
2 9 DT 4.372 0.227 6 0 "[ . ]"
2 10 DG 3.239 0.262 4 0 "[ . ]"
2 11 DG 1.505 0.273 3 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 DC H1' 1 1 DC H4' 2.700 2.160 3.240 2.777 2.706 2.848 . 0 0 "[ . ]" 1
2 1 1 DC H2' 1 1 DC H6 2.340 . 2.810 2.080 1.987 2.111 . 0 0 "[ . ]" 1
3 1 1 DC Q5' 1 1 DC H6 3.070 2.460 3.680 3.202 2.973 3.492 . 0 0 "[ . ]" 1
4 1 1 DC H6 1 2 DC H5 3.850 3.080 4.620 4.148 3.816 4.481 . 0 0 "[ . ]" 1
5 1 2 DC H1' 1 2 DC H6 3.260 2.610 3.910 3.655 3.597 3.729 . 0 0 "[ . ]" 1
6 1 2 DC H1' 1 3 DA H8 3.600 2.880 4.320 3.607 3.502 3.733 . 0 0 "[ . ]" 1
7 1 2 DC H2' 1 3 DA H8 3.410 2.730 4.090 4.081 3.928 4.249 0.159 5 0 "[ . ]" 1
8 1 2 DC H2'' 1 3 DA H8 2.900 2.320 3.480 2.613 2.554 2.632 . 0 0 "[ . ]" 1
9 1 2 DC H3' 1 2 DC H6 3.290 2.680 3.950 4.085 4.045 4.131 0.181 2 0 "[ . ]" 1
10 1 2 DC H3' 1 3 DA H8 4.160 3.330 4.990 5.054 4.684 5.188 0.198 6 0 "[ . ]" 1
11 1 3 DA H1' 1 3 DA H2' 2.560 2.050 3.070 3.040 3.002 3.074 0.004 2 0 "[ . ]" 1
12 1 3 DA H1' 1 3 DA H2'' 2.350 . 2.820 2.147 2.093 2.174 . 0 0 "[ . ]" 1
13 1 3 DA H1' 1 3 DA H3' 3.300 2.640 3.960 3.744 3.615 3.865 . 0 0 "[ . ]" 1
14 1 3 DA H1' 1 3 DA H4' 2.940 2.350 3.530 2.967 2.899 3.021 . 0 0 "[ . ]" 1
15 1 3 DA H1' 1 3 DA H8 3.410 2.730 4.090 3.820 3.757 3.898 . 0 0 "[ . ]" 1
16 1 3 DA H1' 1 4 DT H6 3.380 2.700 4.060 3.845 3.385 4.070 0.010 9 0 "[ . ]" 1
17 1 3 DA H1' 1 4 DT M7 4.850 3.880 5.820 4.061 3.691 4.233 0.189 7 0 "[ . ]" 1
18 1 3 DA H2' 1 3 DA H8 2.210 . 2.650 2.166 2.137 2.188 . 0 0 "[ . ]" 1
19 1 3 DA H2' 1 4 DT H6 2.790 2.230 3.350 3.640 3.535 3.753 0.403 7 0 "[ . ]" 1
20 1 3 DA H2'' 1 3 DA H8 2.780 2.220 3.340 3.574 3.546 3.654 0.314 6 0 "[ . ]" 1
21 1 3 DA H2'' 1 4 DT H6 2.520 2.020 3.020 2.320 2.291 2.352 . 0 0 "[ . ]" 1
22 1 3 DA H3' 1 3 DA H8 3.750 3.000 4.500 4.169 3.935 4.289 . 0 0 "[ . ]" 1
23 1 3 DA H3' 1 4 DT H6 4.120 3.300 4.940 4.773 4.529 4.923 . 0 0 "[ . ]" 1
24 1 3 DA H3' 1 4 DT M7 4.030 3.220 4.840 3.842 3.694 4.073 . 0 0 "[ . ]" 1
25 1 3 DA H4' 1 3 DA H8 4.930 3.940 5.920 4.634 4.499 4.809 . 0 0 "[ . ]" 1
26 1 3 DA H5' 1 3 DA H8 3.910 3.130 4.690 4.087 3.830 4.272 . 0 0 "[ . ]" 1
27 1 3 DA H5'' 1 3 DA H8 4.160 3.330 4.990 4.649 4.422 4.781 . 0 0 "[ . ]" 1
28 1 3 DA H8 1 4 DT H6 5.580 4.460 6.700 5.212 5.008 5.473 . 0 0 "[ . ]" 1
29 1 3 DA H8 1 4 DT M7 3.330 2.660 4.000 3.059 2.946 3.237 . 0 0 "[ . ]" 1
30 1 4 DT H1' 1 4 DT H3' 3.560 2.850 4.270 3.768 3.683 3.860 . 0 0 "[ . ]" 1
31 1 4 DT H1' 1 4 DT H6 3.600 2.880 4.320 3.743 3.675 3.801 . 0 0 "[ . ]" 1
32 1 4 DT H1' 1 5 DC H6 3.950 3.160 4.740 4.195 3.787 4.551 . 0 0 "[ . ]" 1
33 1 4 DT H2' 1 4 DT H6 2.170 . 2.600 1.980 1.914 2.037 . 0 0 "[ . ]" 1
34 1 4 DT H2' 1 5 DC H6 2.890 2.310 3.470 3.506 3.266 3.698 0.228 8 0 "[ . ]" 1
35 1 4 DT H2'' 1 5 DC H6 2.670 2.140 3.200 2.489 2.450 2.535 . 0 0 "[ . ]" 1
36 1 4 DT H3' 1 4 DT H6 3.510 2.810 4.210 4.210 3.921 4.290 0.080 6 0 "[ . ]" 1
37 1 4 DT H3' 1 5 DC H6 4.780 3.820 5.740 5.119 4.754 5.364 . 0 0 "[ . ]" 1
38 1 4 DT H6 1 4 DT M7 2.880 2.300 3.460 2.430 2.358 2.523 . 0 0 "[ . ]" 1
39 1 4 DT H6 1 5 DC H5 4.110 3.290 4.930 3.932 3.813 4.101 . 0 0 "[ . ]" 1
40 1 4 DT M7 1 5 DC H5 4.410 3.530 5.290 3.200 2.670 3.706 0.860 6 3 "[ * -+ ]" 1
41 1 5 DC H1' 1 5 DC H2' 2.980 2.380 3.580 3.072 3.050 3.111 . 0 0 "[ . ]" 1
42 1 5 DC H1' 1 5 DC H2'' 2.310 . 2.770 2.264 2.231 2.295 . 0 0 "[ . ]" 1
43 1 5 DC H1' 1 5 DC H6 3.160 2.530 3.790 3.628 3.573 3.723 . 0 0 "[ . ]" 1
44 1 5 DC H2' 1 5 DC H3' 2.400 . 2.880 2.301 2.249 2.358 . 0 0 "[ . ]" 1
45 1 5 DC H2' 1 5 DC H6 2.330 . 2.800 2.105 2.076 2.128 . 0 0 "[ . ]" 1
46 1 5 DC H2'' 1 5 DC H6 2.680 2.140 3.220 3.242 2.978 3.318 0.098 8 0 "[ . ]" 1
47 1 5 DC H3' 1 5 DC H6 3.320 2.660 3.980 4.183 4.094 4.340 0.360 2 0 "[ . ]" 1
48 1 6 DG H1' 1 6 DG H2' 2.930 2.340 3.520 3.064 3.029 3.118 . 0 0 "[ . ]" 1
49 1 6 DG H1' 1 6 DG H2'' 2.340 . 2.810 2.344 2.305 2.372 . 0 0 "[ . ]" 1
50 1 6 DG H1' 1 6 DG H3' 3.920 3.140 4.700 3.649 3.601 3.688 . 0 0 "[ . ]" 1
51 1 6 DG H1' 1 6 DG H4' 2.920 2.340 3.500 2.838 2.780 2.921 . 0 0 "[ . ]" 1
52 1 6 DG H1' 1 7 DC H5 2.840 2.270 3.410 2.780 2.706 2.913 . 0 0 "[ . ]" 1
53 1 6 DG H1' 1 7 DC H6 3.030 2.420 3.640 3.098 3.012 3.159 . 0 0 "[ . ]" 1
54 1 6 DG H2' 1 7 DC H5 3.860 3.090 4.630 4.756 4.668 4.836 0.206 1 0 "[ . ]" 1
55 1 6 DG H2'' 1 6 DG H3' 2.540 2.030 3.050 2.746 2.711 2.809 . 0 0 "[ . ]" 1
56 1 6 DG H3' 1 6 DG H4' 2.700 2.160 3.240 2.740 2.692 2.801 . 0 0 "[ . ]" 1
57 1 6 DG H3' 1 7 DC H6 3.980 3.180 4.780 4.397 4.275 4.563 . 0 0 "[ . ]" 1
58 1 6 DG H4' 1 7 DC H6 . 3.830 4.370 3.948 3.820 4.084 0.010 5 0 "[ . ]" 1
59 1 7 DC H1' 1 7 DC H3' 3.780 3.020 4.540 3.792 3.712 3.869 . 0 0 "[ . ]" 1
60 1 7 DC H1' 1 7 DC H4' 2.850 2.280 3.420 2.854 2.790 2.934 . 0 0 "[ . ]" 1
61 1 7 DC H1' 1 7 DC H6 3.180 2.540 3.820 3.558 3.484 3.691 . 0 0 "[ . ]" 1
62 1 7 DC H2' 1 7 DC H6 2.350 . 2.820 2.142 2.119 2.181 . 0 0 "[ . ]" 1
63 1 7 DC H3' 1 7 DC H6 3.310 2.650 3.970 4.039 3.963 4.120 0.150 2 0 "[ . ]" 1
64 1 7 DC H5 1 8 DT M7 3.830 3.060 4.600 3.261 2.742 3.609 0.318 7 0 "[ . ]" 1
65 1 7 DC H5' 1 7 DC H6 3.820 3.060 4.580 3.513 3.243 3.767 . 0 0 "[ . ]" 1
66 1 7 DC H6 1 8 DT H6 4.360 3.490 5.230 4.884 4.536 5.216 . 0 0 "[ . ]" 1
67 1 7 DC H6 1 8 DT M7 . 3.860 4.400 3.260 3.118 3.444 0.742 5 6 "[ * +**-*]" 1
68 1 8 DT H1' 1 8 DT H6 3.540 2.830 4.070 3.728 3.707 3.779 . 0 0 "[ . ]" 1
69 1 8 DT H1' 1 8 DT M7 5.400 4.320 6.480 5.251 5.181 5.297 . 0 0 "[ . ]" 1
70 1 8 DT H1' 1 9 DA H8 3.780 3.020 4.540 3.720 3.587 3.904 . 0 0 "[ . ]" 1
71 1 8 DT H2' 1 8 DT H6 1.970 . 2.360 1.849 1.821 1.880 . 0 0 "[ . ]" 1
72 1 8 DT H2' 1 9 DA H8 3.350 2.680 4.020 3.976 3.719 4.253 0.233 3 0 "[ . ]" 1
73 1 8 DT H2'' 1 9 DA H8 2.820 2.260 3.380 2.576 2.476 2.634 . 0 0 "[ . ]" 1
74 1 8 DT H3' 1 9 DA H8 4.290 3.430 5.150 5.192 4.980 5.352 0.202 1 0 "[ . ]" 1
75 1 8 DT H6 1 8 DT M7 2.910 2.330 3.490 2.454 2.374 2.518 . 0 0 "[ . ]" 1
76 1 8 DT H6 1 9 DA H8 4.540 3.630 5.450 4.697 4.257 5.206 . 0 0 "[ . ]" 1
77 1 9 DA H1' 1 9 DA H2'' 2.190 . 2.630 2.050 1.927 2.123 . 0 0 "[ . ]" 1
78 1 9 DA H1' 1 9 DA H3' 3.180 2.540 3.820 3.596 3.526 3.642 . 0 0 "[ . ]" 1
79 1 9 DA H1' 1 9 DA H4' 2.870 2.300 3.440 2.906 2.830 2.963 . 0 0 "[ . ]" 1
80 1 9 DA H1' 1 9 DA H8 3.510 2.810 4.210 3.872 3.815 4.039 . 0 0 "[ . ]" 1
81 1 9 DA H1' 1 10 DC H6 2.900 2.320 3.480 3.429 2.983 3.640 0.160 5 0 "[ . ]" 1
82 1 9 DA H2' 1 9 DA H8 2.150 . 2.580 2.108 2.008 2.252 . 0 0 "[ . ]" 1
83 1 9 DA H2' 1 10 DC H5 3.030 2.420 3.640 3.296 3.192 3.456 . 0 0 "[ . ]" 1
84 1 9 DA H2' 1 10 DC H6 2.850 2.280 3.420 3.661 3.474 3.887 0.467 1 0 "[ . ]" 1
85 1 9 DA H2'' 1 9 DA H8 2.670 2.140 3.200 3.490 3.378 3.560 0.360 2 0 "[ . ]" 1
86 1 9 DA H2'' 1 10 DC H5 3.270 2.620 3.920 3.047 2.947 3.124 . 0 0 "[ . ]" 1
87 1 9 DA H2'' 1 10 DC H6 2.500 . 3.000 2.203 2.002 2.358 . 0 0 "[ . ]" 1
88 1 9 DA H3' 1 9 DA H8 3.440 2.750 4.130 4.220 4.172 4.309 0.179 2 0 "[ . ]" 1
89 1 9 DA H3' 1 10 DC H6 4.160 3.330 4.990 4.784 4.608 4.949 . 0 0 "[ . ]" 1
90 1 9 DA H4' 1 9 DA H8 4.720 3.780 5.660 4.859 4.725 5.045 . 0 0 "[ . ]" 1
91 1 9 DA H5' 1 9 DA H8 4.190 3.350 5.030 4.225 4.026 4.402 . 0 0 "[ . ]" 1
92 1 9 DA H5'' 1 9 DA H8 3.970 3.180 4.760 4.983 4.869 5.056 0.296 9 0 "[ . ]" 1
93 1 9 DA H8 1 10 DC H5 3.580 2.860 4.300 3.762 3.551 4.055 . 0 0 "[ . ]" 1
94 1 9 DA H8 1 10 DC H6 4.840 3.870 5.810 4.941 4.616 5.241 . 0 0 "[ . ]" 1
95 1 10 DC H1' 1 10 DC H3' 3.380 2.700 4.060 3.692 3.589 3.792 . 0 0 "[ . ]" 1
96 1 10 DC H1' 1 10 DC H6 3.150 2.520 3.780 3.705 3.534 3.820 0.040 2 0 "[ . ]" 1
97 1 10 DC H2' 1 10 DC H5 3.320 2.660 3.980 4.228 4.155 4.272 0.292 6 0 "[ . ]" 1
98 1 10 DC H2' 1 10 DC H6 2.180 . 2.620 1.931 1.739 2.129 0.001 1 0 "[ . ]" 1
99 1 10 DC H2'' 1 10 DC H6 2.700 2.160 3.240 3.247 2.991 3.442 0.202 9 0 "[ . ]" 1
100 1 10 DC H3' 1 10 DC H6 3.810 3.050 4.570 4.271 4.070 4.387 . 0 0 "[ . ]" 1
101 1 10 DC H4' 1 10 DC H6 4.440 3.550 5.330 4.867 4.773 4.983 . 0 0 "[ . ]" 1
102 1 10 DC H5 1 11 DC H5 3.120 2.500 3.740 3.260 3.183 3.350 . 0 0 "[ . ]" 1
103 1 10 DC H6 1 11 DC H5 3.820 3.060 4.580 3.605 3.363 3.726 . 0 0 "[ . ]" 1
104 1 11 DC H1' 1 11 DC H2' 2.140 . 2.570 2.653 2.590 2.716 0.146 8 0 "[ . ]" 1
105 1 11 DC H1' 1 11 DC H3' 3.470 2.780 4.160 3.849 3.763 3.944 . 0 0 "[ . ]" 1
106 1 11 DC H1' 1 11 DC H6 2.900 2.320 3.480 3.507 3.463 3.540 0.060 2 0 "[ . ]" 1
107 1 11 DC H3' 1 11 DC H5 4.300 3.440 5.160 5.279 5.220 5.339 0.179 6 0 "[ . ]" 1
108 1 11 DC H3' 1 11 DC H6 2.710 2.170 3.250 2.805 2.762 2.856 . 0 0 "[ . ]" 1
109 2 1 DG H1' 2 1 DG H8 3.300 2.640 3.960 3.702 3.623 3.778 . 0 0 "[ . ]" 1
110 2 1 DG H1' 2 2 DG H8 3.290 2.630 3.950 3.442 3.256 3.995 0.045 8 0 "[ . ]" 1
111 2 1 DG H3' 2 1 DG H8 3.800 3.040 4.560 4.618 4.567 4.669 0.109 7 0 "[ . ]" 1
112 2 1 DG H3' 2 2 DG H8 4.140 3.310 4.970 5.004 4.930 5.100 0.130 1 0 "[ . ]" 1
113 2 1 DG H5' 2 1 DG H8 3.430 2.740 4.120 3.496 3.018 5.032 0.912 7 1 "[ . + ]" 1
114 2 2 DG H1' 2 2 DG H2'' 2.200 . 2.640 1.984 1.956 2.008 . 0 0 "[ . ]" 1
115 2 2 DG H1' 2 2 DG H3' 3.220 2.580 3.860 3.716 3.634 3.801 . 0 0 "[ . ]" 1
116 2 2 DG H1' 2 2 DG H8 3.290 2.630 3.950 3.844 3.796 3.912 . 0 0 "[ . ]" 1
117 2 2 DG H1' 2 3 DT H6 2.930 2.340 3.520 3.372 3.143 3.581 0.061 8 0 "[ . ]" 1
118 2 2 DG H1' 2 3 DT M7 3.960 3.170 4.750 3.639 3.355 3.921 . 0 0 "[ . ]" 1
119 2 2 DG H2' 2 3 DT H6 2.750 2.200 3.300 3.444 3.039 3.572 0.272 3 0 "[ . ]" 1
120 2 2 DG H2'' 2 3 DT H6 2.530 2.020 3.040 2.147 2.110 2.177 . 0 0 "[ . ]" 1
121 2 2 DG H3' 2 2 DG H8 3.550 2.840 4.260 4.234 3.998 4.333 0.073 7 0 "[ . ]" 1
122 2 2 DG H3' 2 3 DT H6 3.860 3.090 4.630 4.641 4.481 4.691 0.061 9 0 "[ . ]" 1
123 2 2 DG H3' 2 3 DT M7 3.830 3.060 4.600 3.711 3.503 3.849 . 0 0 "[ . ]" 1
124 2 2 DG H4' 2 2 DG H8 4.830 3.860 5.800 4.807 4.690 5.002 . 0 0 "[ . ]" 1
125 2 2 DG H8 2 3 DT H6 4.740 3.790 5.690 4.999 4.341 5.163 . 0 0 "[ . ]" 1
126 2 2 DG H8 2 3 DT M7 3.410 2.730 4.090 2.549 2.403 2.741 0.327 4 0 "[ . ]" 1
127 2 3 DT H1' 2 3 DT H2'' 2.330 . 2.800 2.235 2.196 2.265 . 0 0 "[ . ]" 1
128 2 3 DT H1' 2 3 DT H6 3.390 2.710 4.070 3.699 3.630 3.752 . 0 0 "[ . ]" 1
129 2 3 DT H2' 2 4 DA H8 3.170 2.540 3.800 3.539 3.278 3.813 0.013 7 0 "[ . ]" 1
130 2 3 DT H2'' 2 4 DA H8 2.910 2.330 3.490 2.883 2.827 2.957 . 0 0 "[ . ]" 1
131 2 3 DT H3' 2 3 DT H6 3.260 2.610 3.910 4.076 3.942 4.111 0.201 7 0 "[ . ]" 1
132 2 3 DT H6 2 3 DT M7 2.850 2.280 3.420 2.315 2.216 2.529 0.064 5 0 "[ . ]" 1
133 2 4 DA H1' 2 4 DA H2'' 2.250 . 2.700 2.205 2.173 2.249 . 0 0 "[ . ]" 1
134 2 4 DA H1' 2 4 DA H3' 3.300 2.640 3.960 3.671 3.583 3.756 . 0 0 "[ . ]" 1
135 2 4 DA H1' 2 4 DA H8 3.500 2.800 4.200 3.856 3.803 3.900 . 0 0 "[ . ]" 1
136 2 4 DA H1' 2 5 DG H8 4.290 3.430 5.150 4.646 4.151 4.913 . 0 0 "[ . ]" 1
137 2 4 DA H2' 2 5 DG H8 3.340 2.670 4.010 3.898 3.729 4.175 0.165 1 0 "[ . ]" 1
138 2 4 DA H2'' 2 5 DG H8 3.000 2.400 3.600 2.975 2.838 3.055 . 0 0 "[ . ]" 1
139 2 4 DA H3' 2 4 DA H8 3.610 2.890 4.330 4.152 3.918 4.320 . 0 0 "[ . ]" 1
140 2 4 DA H8 2 5 DG H8 5.950 4.760 7.140 5.658 5.325 6.633 . 0 0 "[ . ]" 1
141 2 5 DG H1' 2 5 DG H2' 3.210 2.570 3.850 3.091 3.060 3.150 . 0 0 "[ . ]" 1
142 2 5 DG H1' 2 5 DG H2'' 2.450 . 2.940 2.387 2.324 2.431 . 0 0 "[ . ]" 1
143 2 5 DG H1' 2 5 DG H3' 3.370 2.700 4.040 3.776 3.675 3.879 . 0 0 "[ . ]" 1
144 2 5 DG H2' 2 5 DG H3' 2.380 . 2.860 2.157 2.122 2.196 . 0 0 "[ . ]" 1
145 2 5 DG H2' 2 5 DG H8 2.640 2.110 3.170 2.458 2.416 2.534 . 0 0 "[ . ]" 1
146 2 5 DG H2'' 2 5 DG H8 3.230 2.580 3.880 3.976 3.839 4.037 0.157 8 0 "[ . ]" 1
147 2 5 DG H3' 2 6 DA H8 3.780 3.020 4.540 3.918 3.616 4.324 . 0 0 "[ . ]" 1
148 2 6 DA H1' 2 6 DA H3' 3.700 2.960 4.440 3.805 3.697 3.917 . 0 0 "[ . ]" 1
149 2 6 DA H1' 2 6 DA H8 4.160 3.330 4.990 3.993 3.869 4.124 . 0 0 "[ . ]" 1
150 2 6 DA H2' 2 6 DA H8 2.960 2.370 3.220 2.783 2.741 2.824 . 0 0 "[ . ]" 1
151 2 6 DA H2'' 2 6 DA H8 3.640 2.910 4.370 4.155 4.010 4.321 . 0 0 "[ . ]" 1
152 2 6 DA H3' 2 6 DA H4' 2.420 . 2.900 2.541 2.488 2.585 . 0 0 "[ . ]" 1
153 2 6 DA H3' 2 6 DA H8 3.950 3.160 4.740 4.867 4.765 5.003 0.263 1 0 "[ . ]" 1
154 2 6 DA H3' 2 7 DG H8 4.460 3.570 5.350 4.690 4.289 4.877 . 0 0 "[ . ]" 1
155 2 6 DA H4' 2 7 DG H8 2.780 2.220 3.340 2.746 2.662 2.807 . 0 0 "[ . ]" 1
156 2 7 DG H3' 2 7 DG H8 3.600 2.880 4.320 3.480 3.341 4.301 . 0 0 "[ . ]" 1
157 2 7 DG H3' 2 8 DA H8 3.240 2.590 3.890 3.255 3.064 3.594 . 0 0 "[ . ]" 1
158 2 8 DA H1' 2 8 DA H2'' 2.240 . 2.690 2.119 2.088 2.137 . 0 0 "[ . ]" 1
159 2 8 DA H1' 2 8 DA H3' 3.560 2.850 4.270 3.899 3.806 3.971 . 0 0 "[ . ]" 1
160 2 8 DA H1' 2 8 DA H4' 2.920 2.340 3.500 2.875 2.774 2.995 . 0 0 "[ . ]" 1
161 2 8 DA H1' 2 8 DA H8 3.500 2.800 4.200 3.974 3.913 4.038 . 0 0 "[ . ]" 1
162 2 8 DA H1' 2 9 DT H6 3.310 2.650 3.970 4.075 4.024 4.147 0.177 9 0 "[ . ]" 1
163 2 8 DA H1' 2 9 DT M7 4.910 3.930 5.890 4.106 3.935 4.279 . 0 0 "[ . ]" 1
164 2 8 DA H2' 2 9 DT H6 2.870 2.300 3.440 3.301 2.980 3.601 0.161 4 0 "[ . ]" 1
165 2 8 DA H2'' 2 9 DT H6 2.590 2.070 3.110 2.303 2.226 2.361 . 0 0 "[ . ]" 1
166 2 8 DA H3' 2 8 DA H8 3.830 3.060 4.600 4.135 3.739 4.414 . 0 0 "[ . ]" 1
167 2 8 DA H3' 2 9 DT H6 4.180 3.340 5.020 4.567 4.429 4.710 . 0 0 "[ . ]" 1
168 2 8 DA H3' 2 9 DT M7 3.670 2.940 4.400 3.406 3.335 3.489 . 0 0 "[ . ]" 1
169 2 8 DA H4' 2 8 DA H8 4.750 3.800 5.700 5.159 4.911 5.391 . 0 0 "[ . ]" 1
170 2 8 DA H8 2 9 DT H6 5.550 4.440 6.660 5.324 4.897 5.669 . 0 0 "[ . ]" 1
171 2 8 DA H8 2 9 DT M7 3.550 2.840 4.260 2.985 2.673 3.439 0.167 8 0 "[ . ]" 1
172 2 9 DT H1' 2 9 DT H2' 2.920 2.340 3.500 3.077 2.979 3.144 . 0 0 "[ . ]" 1
173 2 9 DT H1' 2 9 DT H3' 3.720 2.980 4.460 3.745 3.663 3.805 . 0 0 "[ . ]" 1
174 2 9 DT H1' 2 9 DT H6 3.340 2.670 4.010 3.712 3.641 3.828 . 0 0 "[ . ]" 1
175 2 9 DT H2' 2 9 DT H6 2.210 . 2.650 1.973 1.941 1.999 . 0 0 "[ . ]" 1
176 2 9 DT H2' 2 10 DG H8 3.130 2.500 3.760 3.825 3.508 3.987 0.227 6 0 "[ . ]" 1
177 2 9 DT H2'' 2 9 DT H6 2.700 2.160 3.240 3.240 3.171 3.314 0.074 6 0 "[ . ]" 1
178 2 9 DT H3' 2 9 DT H6 3.540 2.830 4.250 4.349 4.234 4.415 0.165 1 0 "[ . ]" 1
179 2 9 DT H3' 2 10 DG H8 4.210 3.370 5.050 4.992 4.652 5.232 0.182 5 0 "[ . ]" 1
180 2 9 DT H6 2 9 DT M7 2.950 2.360 3.540 2.331 2.257 2.486 0.103 1 0 "[ . ]" 1
181 2 10 DG H1' 2 10 DG H3' 3.540 2.830 4.250 3.708 3.627 3.772 . 0 0 "[ . ]" 1
182 2 10 DG H1' 2 10 DG H4' 2.930 2.340 3.520 2.888 2.728 3.015 . 0 0 "[ . ]" 1
183 2 10 DG H3' 2 10 DG H8 3.230 2.580 3.880 4.090 4.004 4.142 0.262 4 0 "[ . ]" 1
184 2 11 DG H1' 2 11 DG H3' 3.400 2.720 4.080 3.794 3.699 3.862 . 0 0 "[ . ]" 1
185 2 11 DG H1' 2 11 DG H8 3.410 2.730 4.090 3.810 3.770 3.865 . 0 0 "[ . ]" 1
186 2 11 DG H3' 2 11 DG H8 3.360 2.690 4.030 4.197 4.141 4.303 0.273 3 0 "[ . ]" 1
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