NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
368763 |
1axv   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1axv
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 243
_Distance_constraint_stats_list.Viol_count 125
_Distance_constraint_stats_list.Viol_total 84.113
_Distance_constraint_stats_list.Viol_max 0.932
_Distance_constraint_stats_list.Viol_rms 0.0535
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0096
_Distance_constraint_stats_list.Viol_average_violations_only 0.1122
_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 0.616 0.131 3 0 "[ . ]"
1 2 DT 0.348 0.075 3 0 "[ . ]"
1 3 DC 0.785 0.300 1 0 "[ . ]"
1 4 DT 0.674 0.300 1 0 "[ . ]"
1 5 DC 0.236 0.104 2 0 "[ . ]"
1 6 DA 1.050 0.149 1 0 "[ . ]"
1 7 DC 0.580 0.149 1 0 "[ . ]"
1 8 DT 3.547 0.932 3 3 "[* +-. ]"
1 9 DT 3.591 0.932 3 3 "[* +-. ]"
1 10 DC 0.464 0.121 5 0 "[ . ]"
1 11 DC 1.867 0.317 5 0 "[ . ]"
2 1 DG 0.568 0.106 2 0 "[ . ]"
2 2 DG 0.301 0.092 5 0 "[ . ]"
2 3 DA 0.761 0.445 5 0 "[ . ]"
2 4 DA 1.561 0.445 5 0 "[ . ]"
2 5 DG 1.169 0.245 5 0 "[ . ]"
2 6 DT 0.000 0.000 . 0 "[ . ]"
2 7 DG 0.000 0.000 . 0 "[ . ]"
2 8 DA 0.913 0.170 6 0 "[ . ]"
2 9 DG 0.976 0.187 1 0 "[ . ]"
2 10 DA 1.474 0.187 1 0 "[ . ]"
2 11 DG 0.289 0.080 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 H2' 2.670 2.140 3.200 3.009 2.985 3.037 . 0 0 "[ . ]" 1
2 1 1 DC H1' 1 1 DC H3' 3.620 2.900 4.340 3.812 3.738 3.883 . 0 0 "[ . ]" 1
3 1 1 DC H1' 1 2 DT M7 3.580 2.860 4.300 3.370 3.306 3.450 . 0 0 "[ . ]" 1
4 1 1 DC H2' 1 1 DC H3' 2.610 2.090 3.130 2.291 2.236 2.330 . 0 0 "[ . ]" 1
5 1 1 DC H2' 1 1 DC H6 2.900 2.320 3.480 2.448 2.357 2.498 . 0 0 "[ . ]" 1
6 1 1 DC H2'' 1 1 DC H3' 3.070 2.460 3.680 2.870 2.818 2.945 . 0 0 "[ . ]" 1
7 1 1 DC H3' 1 1 DC H6 3.250 2.600 3.900 4.003 3.949 4.031 0.131 3 0 "[ . ]" 1
8 1 1 DC H6 1 2 DT M7 2.910 2.330 3.490 2.663 2.574 2.756 . 0 0 "[ . ]" 1
9 1 2 DT H1' 1 2 DT H2' 2.730 2.180 3.280 3.023 3.000 3.054 . 0 0 "[ . ]" 1
10 1 2 DT H1' 1 2 DT H2'' 2.320 . 2.780 2.172 2.145 2.188 . 0 0 "[ . ]" 1
11 1 2 DT H1' 1 2 DT H3' 3.690 2.950 4.430 3.625 3.571 3.670 . 0 0 "[ . ]" 1
12 1 2 DT H1' 1 2 DT H4' 2.910 2.330 3.490 2.905 2.876 2.959 . 0 0 "[ . ]" 1
13 1 2 DT H1' 1 2 DT H6 3.390 2.710 4.070 3.704 3.676 3.727 . 0 0 "[ . ]" 1
14 1 2 DT H1' 1 2 DT M7 5.830 4.660 7.000 5.259 5.214 5.320 . 0 0 "[ . ]" 1
15 1 2 DT H1' 1 3 DC H5 3.990 3.190 4.790 4.557 4.444 4.641 . 0 0 "[ . ]" 1
16 1 2 DT H1' 1 3 DC H6 3.260 2.610 3.910 3.840 3.771 3.941 0.031 6 0 "[ . ]" 1
17 1 2 DT H1' 2 10 DA H2 4.900 3.920 5.880 4.875 4.780 5.049 . 0 0 "[ . ]" 1
18 1 2 DT H2' 1 3 DC H5 2.990 2.390 3.590 2.955 2.896 3.008 . 0 0 "[ . ]" 1
19 1 2 DT H2' 1 3 DC H6 2.650 2.120 3.180 3.101 3.033 3.216 0.036 4 0 "[ . ]" 1
20 1 2 DT H2'' 1 3 DC H5 3.100 2.480 3.720 3.264 3.196 3.313 . 0 0 "[ . ]" 1
21 1 2 DT H2'' 1 3 DC H6 2.460 . 2.950 2.124 2.106 2.152 . 0 0 "[ . ]" 1
22 1 2 DT H3' 1 2 DT H4' 2.200 . 2.640 2.157 2.138 2.169 . 0 0 "[ . ]" 1
23 1 2 DT H3' 1 3 DC H5 4.570 3.660 5.480 5.527 5.497 5.555 0.075 3 0 "[ . ]" 1
24 1 2 DT H6 1 3 DC H5 3.300 2.640 3.960 3.235 3.160 3.340 . 0 0 "[ . ]" 1
25 1 2 DT M7 1 3 DC H5 3.880 3.100 4.660 3.341 3.169 3.483 . 0 0 "[ . ]" 1
26 1 3 DC H1' 1 3 DC H2'' 2.400 . 2.880 2.242 2.218 2.269 . 0 0 "[ . ]" 1
27 1 3 DC H1' 1 3 DC H3' 3.180 2.540 3.820 3.495 3.475 3.519 . 0 0 "[ . ]" 1
28 1 3 DC H1' 1 3 DC H6 3.660 2.930 4.390 3.773 3.732 3.804 . 0 0 "[ . ]" 1
29 1 3 DC H1' 1 4 DT H6 3.340 2.670 4.010 3.293 3.254 3.326 . 0 0 "[ . ]" 1
30 1 3 DC H1' 1 4 DT M7 3.840 3.070 4.610 3.451 3.093 3.608 . 0 0 "[ . ]" 1
31 1 3 DC H2' 1 3 DC H3' 2.580 2.060 3.100 2.603 2.579 2.636 . 0 0 "[ . ]" 1
32 1 3 DC H2' 1 3 DC H5 4.030 3.220 4.840 4.727 4.690 4.772 . 0 0 "[ . ]" 1
33 1 3 DC H2' 1 3 DC H6 2.470 . 2.960 2.390 2.341 2.423 . 0 0 "[ . ]" 1
34 1 3 DC H2'' 1 3 DC H3' 2.830 2.260 3.400 2.792 2.751 2.830 . 0 0 "[ . ]" 1
35 1 3 DC H2'' 1 3 DC H6 3.000 2.400 3.600 3.341 3.188 3.485 . 0 0 "[ . ]" 1
36 1 3 DC H2'' 1 4 DT H6 2.990 2.390 3.590 2.860 2.796 2.932 . 0 0 "[ . ]" 1
37 1 3 DC H2'' 1 4 DT M7 3.080 2.460 3.700 2.473 2.160 2.815 0.300 1 0 "[ . ]" 1
38 1 3 DC H3' 1 3 DC H6 4.660 3.730 5.590 4.898 4.839 4.958 . 0 0 "[ . ]" 1
39 1 3 DC H5 1 4 DT M7 3.350 2.680 4.020 3.207 3.174 3.235 . 0 0 "[ . ]" 1
40 1 3 DC H6 1 4 DT M7 2.990 2.390 3.590 2.699 2.614 2.826 . 0 0 "[ . ]" 1
41 1 4 DT H1' 1 4 DT H2' 2.950 2.360 3.540 3.048 3.018 3.097 . 0 0 "[ . ]" 1
42 1 4 DT H1' 1 4 DT H2'' 2.480 . 2.980 2.403 2.335 2.456 . 0 0 "[ . ]" 1
43 1 4 DT H1' 1 4 DT H3' 3.590 2.870 4.310 3.809 3.752 3.865 . 0 0 "[ . ]" 1
44 1 4 DT H1' 1 4 DT H6 3.770 3.020 4.520 3.806 3.723 3.849 . 0 0 "[ . ]" 1
45 1 4 DT H1' 1 4 DT M7 5.300 4.240 6.360 5.224 5.208 5.259 . 0 0 "[ . ]" 1
46 1 4 DT H2' 1 4 DT H3' 2.610 2.090 3.130 2.409 2.329 2.501 . 0 0 "[ . ]" 1
47 1 4 DT H2' 1 4 DT H6 2.440 . 2.930 2.297 2.238 2.386 . 0 0 "[ . ]" 1
48 1 4 DT H2' 1 5 DC H5 3.840 3.070 4.610 3.865 3.666 4.049 . 0 0 "[ . ]" 1
49 1 4 DT H2'' 1 5 DC H5 4.100 3.280 4.920 4.107 3.772 4.230 . 0 0 "[ . ]" 1
50 1 4 DT H2'' 1 5 DC H6 3.010 2.410 3.610 2.931 2.840 3.043 . 0 0 "[ . ]" 1
51 1 4 DT H3' 1 5 DC H6 4.250 3.400 5.100 5.135 5.077 5.204 0.104 2 0 "[ . ]" 1
52 1 4 DT H6 1 4 DT M7 2.660 2.130 3.190 2.367 2.324 2.416 . 0 0 "[ . ]" 1
53 1 4 DT H6 1 5 DC H5 4.210 3.370 5.050 4.291 4.243 4.341 . 0 0 "[ . ]" 1
54 1 4 DT M7 1 5 DC H5 4.150 3.320 4.980 3.818 3.641 3.961 . 0 0 "[ . ]" 1
55 1 5 DC H1' 1 5 DC H2' 2.720 2.180 3.260 3.003 2.977 3.021 . 0 0 "[ . ]" 1
56 1 5 DC H1' 1 5 DC H2'' 2.440 . 2.930 2.248 2.186 2.286 . 0 0 "[ . ]" 1
57 1 5 DC H1' 1 5 DC H3' 3.470 2.780 4.160 3.567 3.536 3.626 . 0 0 "[ . ]" 1
58 1 5 DC H1' 1 5 DC H4' 3.110 2.490 3.730 3.064 2.963 3.106 . 0 0 "[ . ]" 1
59 1 5 DC H1' 1 5 DC H6 3.420 2.740 4.100 3.523 3.458 3.604 . 0 0 "[ . ]" 1
60 1 5 DC H1' 1 6 DA H8 3.720 2.980 4.460 3.808 3.730 3.914 . 0 0 "[ . ]" 1
61 1 5 DC H2' 1 5 DC H3' 2.730 2.180 3.280 2.508 2.457 2.530 . 0 0 "[ . ]" 1
62 1 5 DC H2' 1 6 DA H8 4.340 3.470 5.210 4.966 4.928 5.016 . 0 0 "[ . ]" 1
63 1 5 DC H2'' 1 5 DC H3' 2.870 2.300 3.440 2.821 2.773 2.850 . 0 0 "[ . ]" 1
64 1 5 DC H2'' 1 6 DA H8 3.760 3.010 4.510 3.463 3.421 3.495 . 0 0 "[ . ]" 1
65 1 5 DC H3' 1 5 DC H4' 2.830 2.260 3.400 2.736 2.708 2.787 . 0 0 "[ . ]" 1
66 1 5 DC H3' 1 6 DA H8 4.290 3.430 5.150 3.974 3.893 4.085 . 0 0 "[ . ]" 1
67 1 6 DA H1' 1 6 DA H2 4.640 3.710 5.570 4.497 4.416 4.550 . 0 0 "[ . ]" 1
68 1 6 DA H1' 1 6 DA H2' 2.900 2.320 3.480 3.130 3.095 3.153 . 0 0 "[ . ]" 1
69 1 6 DA H1' 1 6 DA H2'' 2.560 2.050 3.070 2.423 2.400 2.449 . 0 0 "[ . ]" 1
70 1 6 DA H1' 1 6 DA H3' 3.760 3.010 4.510 3.830 3.797 3.858 . 0 0 "[ . ]" 1
71 1 6 DA H1' 1 6 DA H4' 3.610 2.890 4.330 3.551 3.496 3.585 . 0 0 "[ . ]" 1
72 1 6 DA H1' 1 6 DA H8 3.760 3.010 4.510 3.910 3.894 3.933 . 0 0 "[ . ]" 1
73 1 6 DA H1' 1 7 DC H5 4.320 3.460 5.180 4.438 4.361 4.521 . 0 0 "[ . ]" 1
74 1 6 DA H1' 1 7 DC H6 3.470 2.780 4.160 3.599 3.511 3.707 . 0 0 "[ . ]" 1
75 1 6 DA H2 1 7 DC H1' 4.810 3.850 5.770 4.688 4.611 4.746 . 0 0 "[ . ]" 1
76 1 6 DA H2' 1 6 DA H3' 2.560 2.050 3.070 2.479 2.469 2.498 . 0 0 "[ . ]" 1
77 1 6 DA H2' 1 6 DA H4' 4.380 3.500 5.260 3.922 3.851 3.965 . 0 0 "[ . ]" 1
78 1 6 DA H2' 1 6 DA H8 2.580 2.060 3.100 2.381 2.366 2.396 . 0 0 "[ . ]" 1
79 1 6 DA H2' 1 7 DC H5 3.690 2.950 4.430 3.983 3.877 4.113 . 0 0 "[ . ]" 1
80 1 6 DA H2' 1 7 DC H6 3.370 2.700 4.040 4.122 4.021 4.189 0.149 1 0 "[ . ]" 1
81 1 6 DA H2'' 1 6 DA H3' 2.730 2.180 3.280 2.730 2.716 2.746 . 0 0 "[ . ]" 1
82 1 6 DA H2'' 1 6 DA H4' 4.250 3.400 5.100 4.257 4.246 4.265 . 0 0 "[ . ]" 1
83 1 6 DA H2'' 1 6 DA H8 3.030 2.420 3.640 3.675 3.619 3.721 0.081 2 0 "[ . ]" 1
84 1 6 DA H2'' 1 7 DC H5 3.580 2.860 4.300 3.478 3.392 3.596 . 0 0 "[ . ]" 1
85 1 6 DA H2'' 1 7 DC H6 3.020 2.420 3.620 2.678 2.649 2.712 . 0 0 "[ . ]" 1
86 1 6 DA H3' 1 6 DA H4' 2.780 2.220 3.340 2.784 2.771 2.811 . 0 0 "[ . ]" 1
87 1 6 DA H3' 1 6 DA H8 3.710 2.970 4.450 4.501 4.452 4.548 0.098 5 0 "[ . ]" 1
88 1 6 DA H3' 1 7 DC H6 4.500 3.600 5.400 5.267 5.126 5.387 . 0 0 "[ . ]" 1
89 1 6 DA H4' 1 6 DA H8 4.600 3.680 5.520 4.788 4.661 4.921 . 0 0 "[ . ]" 1
90 1 6 DA H8 1 7 DC H5 4.200 3.360 5.040 4.318 4.066 4.659 . 0 0 "[ . ]" 1
91 1 7 DC H1' 1 7 DC H2' 2.950 2.360 3.540 3.081 3.060 3.096 . 0 0 "[ . ]" 1
92 1 7 DC H1' 1 7 DC H4' 2.920 2.340 3.500 2.834 2.754 2.926 . 0 0 "[ . ]" 1
93 1 7 DC H1' 1 8 DT M7 3.560 2.850 4.270 3.121 2.844 3.261 0.006 2 0 "[ . ]" 1
94 1 7 DC H2' 1 7 DC H4' 3.690 2.950 4.430 3.619 3.585 3.666 . 0 0 "[ . ]" 1
95 1 7 DC H2' 1 7 DC H5 3.930 3.140 4.720 4.706 4.676 4.732 0.012 6 0 "[ . ]" 1
96 1 7 DC H2'' 1 7 DC H5 4.430 3.540 5.320 5.253 5.116 5.358 0.038 1 0 "[ . ]" 1
97 1 7 DC H3' 1 7 DC H4' 2.630 2.100 3.160 2.615 2.605 2.642 . 0 0 "[ . ]" 1
98 1 7 DC H4' 1 7 DC H6 4.410 3.530 5.290 5.061 4.889 5.198 . 0 0 "[ . ]" 1
99 1 7 DC H5 1 8 DT M7 3.670 2.940 4.400 3.316 3.075 3.538 . 0 0 "[ . ]" 1
100 1 8 DT H1' 1 8 DT H2' 2.740 2.190 3.290 2.995 2.968 3.011 . 0 0 "[ . ]" 1
101 1 8 DT H1' 1 8 DT M7 4.450 3.560 5.340 4.787 4.753 4.809 . 0 0 "[ . ]" 1
102 1 8 DT H1' 1 9 DT M7 4.070 3.260 4.880 2.677 2.328 3.304 0.932 3 3 "[* +-. ]" 1
103 1 8 DT H6 1 8 DT M7 2.610 2.090 3.130 2.197 2.138 2.235 . 0 0 "[ . ]" 1
104 1 9 DT H1' 1 9 DT H2' 2.650 2.120 3.180 2.983 2.968 2.998 . 0 0 "[ . ]" 1
105 1 9 DT H2'' 1 10 DC H5 3.080 2.460 3.700 3.090 2.713 3.480 . 0 0 "[ . ]" 1
106 1 9 DT H3' 1 10 DC H5 4.390 3.510 5.270 5.212 5.161 5.320 0.050 6 0 "[ . ]" 1
107 1 9 DT H6 1 10 DC H5 3.510 2.810 4.210 3.461 3.404 3.486 . 0 0 "[ . ]" 1
108 1 9 DT M7 1 10 DC H5 3.680 2.940 4.420 3.503 3.284 3.625 . 0 0 "[ . ]" 1
109 1 10 DC H1' 1 10 DC H2' 2.680 2.140 3.220 2.971 2.949 2.989 . 0 0 "[ . ]" 1
110 1 10 DC H1' 1 10 DC H2'' 2.270 . 2.720 2.095 2.066 2.117 . 0 0 "[ . ]" 1
111 1 10 DC H1' 1 10 DC H3' 3.680 2.940 4.420 3.771 3.731 3.792 . 0 0 "[ . ]" 1
112 1 10 DC H2' 1 10 DC H3' 2.360 . 2.830 2.046 2.009 2.068 . 0 0 "[ . ]" 1
113 1 10 DC H2'' 1 10 DC H3' 2.620 2.100 3.140 2.832 2.720 2.875 . 0 0 "[ . ]" 1
114 1 10 DC H2'' 1 11 DC H5 3.210 2.570 3.850 3.400 3.283 3.536 . 0 0 "[ . ]" 1
115 1 10 DC H3' 1 10 DC H5 4.830 3.860 5.800 5.600 5.394 5.845 0.045 2 0 "[ . ]" 1
116 1 10 DC H3' 1 10 DC H6 2.950 2.360 3.540 3.344 3.150 3.567 0.027 2 0 "[ . ]" 1
117 1 10 DC H3' 1 11 DC H6 3.580 2.860 4.300 4.347 4.240 4.421 0.121 5 0 "[ . ]" 1
118 1 11 DC H1' 1 11 DC H3' 3.760 3.010 4.510 3.768 3.719 3.808 . 0 0 "[ . ]" 1
119 1 11 DC H1' 1 11 DC H4' 3.000 2.400 3.600 3.012 2.987 3.030 . 0 0 "[ . ]" 1
120 1 11 DC H1' 1 11 DC H6 3.300 2.640 3.960 3.637 3.617 3.659 . 0 0 "[ . ]" 1
121 1 11 DC H3' 1 11 DC H4' 2.450 . 2.940 2.436 2.416 2.459 . 0 0 "[ . ]" 1
122 1 11 DC H3' 1 11 DC H6 2.840 2.270 3.410 3.664 3.588 3.727 0.317 5 0 "[ . ]" 1
123 2 1 DG H1' 2 1 DG H2' 2.970 2.380 3.560 3.153 3.130 3.169 . 0 0 "[ . ]" 1
124 2 1 DG H1' 2 1 DG H2'' 2.430 . 2.920 2.342 2.318 2.370 . 0 0 "[ . ]" 1
125 2 1 DG H1' 2 1 DG H3' 4.930 3.940 5.920 3.845 3.834 3.857 0.106 2 0 "[ . ]" 1
126 2 1 DG H2' 2 1 DG H3' 2.300 . 2.760 2.188 2.170 2.212 . 0 0 "[ . ]" 1
127 2 2 DG H1' 2 2 DG H2' 2.600 2.080 3.120 3.002 2.986 3.026 . 0 0 "[ . ]" 1
128 2 2 DG H1' 2 2 DG H2'' 2.380 . 2.860 2.182 2.170 2.194 . 0 0 "[ . ]" 1
129 2 2 DG H1' 2 2 DG H3' 3.200 2.560 3.840 3.427 3.384 3.472 . 0 0 "[ . ]" 1
130 2 2 DG H1' 2 2 DG H4' 2.990 2.390 3.590 3.068 3.049 3.110 . 0 0 "[ . ]" 1
131 2 2 DG H1' 2 2 DG H8 3.950 3.160 4.740 3.934 3.897 3.991 . 0 0 "[ . ]" 1
132 2 2 DG H1' 2 3 DA H8 3.230 2.580 3.880 3.338 3.288 3.431 . 0 0 "[ . ]" 1
133 2 2 DG H2' 2 2 DG H3' 2.290 . 2.750 2.123 2.085 2.152 . 0 0 "[ . ]" 1
134 2 2 DG H2' 2 2 DG H4' 3.270 2.620 3.920 3.508 3.487 3.537 . 0 0 "[ . ]" 1
135 2 2 DG H2'' 2 2 DG H3' 2.450 . 2.940 2.599 2.541 2.731 . 0 0 "[ . ]" 1
136 2 2 DG H2'' 2 2 DG H4' 3.470 2.780 4.160 3.857 3.811 3.943 . 0 0 "[ . ]" 1
137 2 2 DG H3' 2 2 DG H4' 2.470 . 2.960 2.449 2.439 2.471 . 0 0 "[ . ]" 1
138 2 2 DG H3' 2 2 DG H8 3.830 3.060 4.600 4.650 4.614 4.692 0.092 5 0 "[ . ]" 1
139 2 2 DG H3' 2 3 DA H8 4.290 3.430 5.150 5.080 4.975 5.153 0.003 6 0 "[ . ]" 1
140 2 2 DG H4' 2 2 DG H8 4.960 3.970 5.950 4.975 4.907 5.087 . 0 0 "[ . ]" 1
141 2 3 DA H1' 2 3 DA H2' 2.700 2.160 3.240 3.048 3.032 3.075 . 0 0 "[ . ]" 1
142 2 3 DA H1' 2 3 DA H2'' 2.390 . 2.870 2.247 2.227 2.267 . 0 0 "[ . ]" 1
143 2 3 DA H1' 2 3 DA H3' 3.390 2.710 4.070 3.577 3.536 3.622 . 0 0 "[ . ]" 1
144 2 3 DA H1' 2 3 DA H4' 3.070 2.460 3.680 3.102 3.062 3.155 . 0 0 "[ . ]" 1
145 2 3 DA H1' 2 3 DA H8 3.910 3.130 4.690 3.913 3.882 3.931 . 0 0 "[ . ]" 1
146 2 3 DA H2' 2 3 DA H3' 2.290 . 2.750 2.178 2.155 2.198 . 0 0 "[ . ]" 1
147 2 3 DA H2' 2 3 DA H4' 3.400 2.720 4.080 3.580 3.514 3.654 . 0 0 "[ . ]" 1
148 2 3 DA H2' 2 4 DA H8 3.030 2.420 3.640 3.635 3.371 4.085 0.445 5 0 "[ . ]" 1
149 2 3 DA H2'' 2 3 DA H3' 2.520 2.020 3.020 2.693 2.643 2.737 . 0 0 "[ . ]" 1
150 2 3 DA H2'' 2 3 DA H8 2.950 2.360 3.540 3.545 3.475 3.610 0.070 6 0 "[ . ]" 1
151 2 3 DA H2'' 2 4 DA H8 2.890 2.310 3.470 2.623 2.497 2.679 . 0 0 "[ . ]" 1
152 2 3 DA H3' 2 3 DA H4' 2.460 . 2.950 2.458 2.438 2.476 . 0 0 "[ . ]" 1
153 2 3 DA H3' 2 3 DA H8 3.750 3.000 4.500 4.374 4.274 4.455 . 0 0 "[ . ]" 1
154 2 3 DA H3' 2 4 DA H8 4.420 3.540 5.300 5.162 4.954 5.267 . 0 0 "[ . ]" 1
155 2 3 DA H4' 2 3 DA H8 4.780 3.820 5.740 4.906 4.866 4.944 . 0 0 "[ . ]" 1
156 2 4 DA H1' 2 4 DA H2' 2.790 2.230 3.350 3.048 3.017 3.066 . 0 0 "[ . ]" 1
157 2 4 DA H1' 2 4 DA H3' 3.320 2.660 3.980 3.558 3.530 3.605 . 0 0 "[ . ]" 1
158 2 4 DA H1' 2 4 DA H4' 2.910 2.330 3.490 2.781 2.700 2.850 . 0 0 "[ . ]" 1
159 2 4 DA H1' 2 5 DG H8 3.950 3.160 4.740 3.968 3.621 4.256 . 0 0 "[ . ]" 1
160 2 4 DA H2' 2 4 DA H3' 2.450 . 2.940 2.297 2.240 2.385 . 0 0 "[ . ]" 1
161 2 4 DA H2' 2 4 DA H4' 3.640 2.910 4.370 3.745 3.698 3.800 . 0 0 "[ . ]" 1
162 2 4 DA H2' 2 4 DA H8 2.580 2.060 3.100 2.441 2.412 2.482 . 0 0 "[ . ]" 1
163 2 4 DA H2' 2 5 DG H8 3.360 2.690 4.030 4.083 3.738 4.275 0.245 5 0 "[ . ]" 1
164 2 4 DA H2'' 2 4 DA H3' 2.480 . 2.980 2.530 2.467 2.585 . 0 0 "[ . ]" 1
165 2 4 DA H2'' 2 5 DG H8 3.000 2.400 3.600 2.708 2.663 2.780 . 0 0 "[ . ]" 1
166 2 4 DA H3' 2 4 DA H8 3.810 3.050 4.570 4.607 4.536 4.671 0.101 4 0 "[ . ]" 1
167 2 4 DA H3' 2 5 DG H8 4.320 3.460 5.180 5.076 4.895 5.264 0.084 6 0 "[ . ]" 1
168 2 4 DA H4' 2 4 DA H8 4.700 3.760 5.640 5.086 4.642 5.435 . 0 0 "[ . ]" 1
169 2 5 DG H1' 2 5 DG H2' 3.060 2.450 3.670 3.096 3.067 3.108 . 0 0 "[ . ]" 1
170 2 5 DG H1' 2 5 DG H2'' 2.570 2.060 3.080 2.426 2.395 2.446 . 0 0 "[ . ]" 1
171 2 5 DG H1' 2 5 DG H3' 3.180 2.540 3.820 3.691 3.616 3.776 . 0 0 "[ . ]" 1
172 2 5 DG H1' 2 5 DG H8 4.840 3.870 5.810 4.068 4.040 4.100 . 0 0 "[ . ]" 1
173 2 5 DG H2' 2 5 DG H3' 2.560 2.050 3.070 2.345 2.298 2.413 . 0 0 "[ . ]" 1
174 2 5 DG H2' 2 5 DG H4' 3.910 3.130 4.690 3.800 3.618 3.900 . 0 0 "[ . ]" 1
175 2 5 DG H2' 2 5 DG H8 2.710 2.170 3.250 2.575 2.545 2.604 . 0 0 "[ . ]" 1
176 2 5 DG H2' 2 6 DT H6 3.040 2.430 3.650 3.013 2.722 3.212 . 0 0 "[ . ]" 1
177 2 5 DG H2'' 2 5 DG H3' 2.860 2.290 3.430 2.871 2.674 2.962 . 0 0 "[ . ]" 1
178 2 5 DG H2'' 2 5 DG H4' 3.350 2.680 4.020 3.645 3.477 3.954 . 0 0 "[ . ]" 1
179 2 5 DG H2'' 2 5 DG H8 3.220 2.580 3.860 3.939 3.878 3.998 0.138 6 0 "[ . ]" 1
180 2 5 DG H2'' 2 6 DT H6 3.040 2.430 3.650 2.776 2.667 2.890 . 0 0 "[ . ]" 1
181 2 5 DG H3' 2 5 DG H8 4.020 3.220 4.820 4.398 4.220 4.687 . 0 0 "[ . ]" 1
182 2 5 DG H3' 2 6 DT M7 4.310 3.450 5.170 3.908 3.740 4.075 . 0 0 "[ . ]" 1
183 2 6 DT H1' 2 6 DT H2' 3.230 2.580 3.880 3.111 3.005 3.186 . 0 0 "[ . ]" 1
184 2 6 DT H1' 2 6 DT H2'' 2.560 2.050 3.070 2.547 2.520 2.582 . 0 0 "[ . ]" 1
185 2 6 DT H1' 2 6 DT H3' 3.820 3.060 4.580 3.870 3.770 3.985 . 0 0 "[ . ]" 1
186 2 6 DT H1' 2 6 DT H4' 3.030 2.420 3.640 2.903 2.708 3.039 . 0 0 "[ . ]" 1
187 2 6 DT H1' 2 6 DT H6 3.160 2.530 3.790 3.614 3.592 3.632 . 0 0 "[ . ]" 1
188 2 6 DT H2' 2 6 DT H4' 3.380 2.700 4.060 3.670 3.558 3.770 . 0 0 "[ . ]" 1
189 2 6 DT H2' 2 6 DT H6 2.360 . 2.830 1.946 1.922 1.983 . 0 0 "[ . ]" 1
190 2 6 DT H2'' 2 6 DT H3' 2.920 2.340 3.500 2.941 2.778 3.124 . 0 0 "[ . ]" 1
191 2 6 DT H2'' 2 6 DT H4' 3.390 2.710 4.070 3.430 2.953 3.907 . 0 0 "[ . ]" 1
192 2 6 DT H6 2 6 DT M7 2.700 2.160 3.240 2.343 2.233 2.413 . 0 0 "[ . ]" 1
193 2 7 DG H1' 2 7 DG H2'' 2.410 . 2.890 2.318 2.290 2.352 . 0 0 "[ . ]" 1
194 2 7 DG H1' 2 7 DG H8 4.690 3.750 5.630 4.135 4.109 4.159 . 0 0 "[ . ]" 1
195 2 7 DG H1' 2 8 DA H8 3.640 2.910 4.370 3.624 3.532 3.702 . 0 0 "[ . ]" 1
196 2 7 DG H2' 2 7 DG H4' 3.150 2.520 3.780 3.470 3.443 3.515 . 0 0 "[ . ]" 1
197 2 7 DG H2'' 2 7 DG H3' 2.510 2.010 3.010 2.586 2.554 2.619 . 0 0 "[ . ]" 1
198 2 7 DG H2'' 2 7 DG H4' 3.370 2.700 4.040 3.922 3.878 3.980 . 0 0 "[ . ]" 1
199 2 7 DG H3' 2 7 DG H4' 2.550 2.040 3.060 2.490 2.452 2.524 . 0 0 "[ . ]" 1
200 2 8 DA H1' 2 8 DA H2' 2.780 2.220 3.340 3.062 3.025 3.082 . 0 0 "[ . ]" 1
201 2 8 DA H1' 2 8 DA H2'' 2.420 . 2.900 2.323 2.287 2.349 . 0 0 "[ . ]" 1
202 2 8 DA H1' 2 8 DA H3' 3.350 2.680 4.020 3.490 3.449 3.511 . 0 0 "[ . ]" 1
203 2 8 DA H1' 2 8 DA H4' 3.040 2.430 3.650 2.972 2.909 3.049 . 0 0 "[ . ]" 1
204 2 8 DA H1' 2 8 DA H8 3.850 3.080 4.620 3.848 3.814 3.871 . 0 0 "[ . ]" 1
205 2 8 DA H2' 2 8 DA H3' 2.260 . 2.710 2.125 2.109 2.136 . 0 0 "[ . ]" 1
206 2 8 DA H2'' 2 8 DA H3' 2.420 . 2.900 2.543 2.512 2.588 . 0 0 "[ . ]" 1
207 2 8 DA H2'' 2 8 DA H4' 3.480 2.780 4.180 4.005 3.988 4.034 . 0 0 "[ . ]" 1
208 2 8 DA H2'' 2 8 DA H8 2.760 2.210 3.310 3.170 3.049 3.257 . 0 0 "[ . ]" 1
209 2 8 DA H2'' 2 9 DG H8 3.230 2.580 3.880 3.222 3.193 3.251 . 0 0 "[ . ]" 1
210 2 8 DA H3' 2 8 DA H8 3.630 2.900 4.360 4.512 4.490 4.530 0.170 6 0 "[ . ]" 1
211 2 8 DA H3' 2 9 DG H8 4.880 3.900 5.860 5.474 5.367 5.668 . 0 0 "[ . ]" 1
212 2 8 DA H4' 2 8 DA H8 4.870 3.900 5.840 5.240 5.186 5.303 . 0 0 "[ . ]" 1
213 2 9 DG H1' 2 9 DG H2' 2.880 2.300 3.460 3.044 3.019 3.057 . 0 0 "[ . ]" 1
214 2 9 DG H1' 2 9 DG H2'' 2.430 . 2.920 2.310 2.297 2.328 . 0 0 "[ . ]" 1
215 2 9 DG H1' 2 9 DG H3' 3.170 2.540 3.800 3.472 3.436 3.540 . 0 0 "[ . ]" 1
216 2 9 DG H1' 2 9 DG H4' 2.980 2.380 3.580 3.006 2.986 3.031 . 0 0 "[ . ]" 1
217 2 9 DG H1' 2 9 DG H8 3.940 3.150 4.730 4.005 3.950 4.048 . 0 0 "[ . ]" 1
218 2 9 DG H1' 2 10 DA H8 3.230 2.580 3.880 3.445 3.361 3.535 . 0 0 "[ . ]" 1
219 2 9 DG H2' 2 9 DG H3' 2.390 . 2.870 2.273 2.231 2.303 . 0 0 "[ . ]" 1
220 2 9 DG H2' 2 10 DA H8 3.110 2.490 3.730 3.845 3.720 3.917 0.187 1 0 "[ . ]" 1
221 2 9 DG H2'' 2 9 DG H3' 2.440 . 2.930 2.462 2.449 2.471 . 0 0 "[ . ]" 1
222 2 9 DG H3' 2 9 DG H8 4.030 3.220 4.840 4.811 4.761 4.843 0.003 2 0 "[ . ]" 1
223 2 9 DG H3' 2 10 DA H8 4.110 3.290 4.930 4.976 4.930 5.013 0.083 6 0 "[ . ]" 1
224 2 10 DA H1' 2 10 DA H2 4.500 3.600 5.400 4.313 4.238 4.389 . 0 0 "[ . ]" 1
225 2 10 DA H1' 2 10 DA H2'' 2.380 . 2.860 2.319 2.304 2.333 . 0 0 "[ . ]" 1
226 2 10 DA H1' 2 10 DA H3' 3.790 3.030 4.550 3.668 3.634 3.694 . 0 0 "[ . ]" 1
227 2 10 DA H1' 2 10 DA H4' 3.090 2.470 3.710 3.089 3.046 3.143 . 0 0 "[ . ]" 1
228 2 10 DA H1' 2 10 DA H8 3.990 3.190 4.790 3.914 3.881 3.961 . 0 0 "[ . ]" 1
229 2 10 DA H2' 2 10 DA H3' 2.360 . 2.830 2.217 2.198 2.248 . 0 0 "[ . ]" 1
230 2 10 DA H2' 2 10 DA H4' 3.660 2.930 4.390 3.638 3.591 3.669 . 0 0 "[ . ]" 1
231 2 10 DA H2'' 2 10 DA H3' 2.570 2.060 3.080 2.683 2.666 2.706 . 0 0 "[ . ]" 1
232 2 10 DA H2'' 2 10 DA H8 2.980 2.380 3.580 3.473 3.386 3.516 . 0 0 "[ . ]" 1
233 2 10 DA H2'' 2 11 DG H8 2.970 2.380 3.560 2.839 2.777 2.895 . 0 0 "[ . ]" 1
234 2 10 DA H3' 2 10 DA H8 3.700 2.960 4.440 4.523 4.488 4.551 0.111 4 0 "[ . ]" 1
235 2 10 DA H3' 2 11 DG H8 4.610 3.690 5.530 5.271 5.231 5.325 . 0 0 "[ . ]" 1
236 2 10 DA H4' 2 10 DA H8 4.640 3.710 5.570 5.047 5.011 5.093 . 0 0 "[ . ]" 1
237 2 11 DG H1' 2 11 DG H2' 2.570 2.060 3.080 2.963 2.949 2.976 . 0 0 "[ . ]" 1
238 2 11 DG H1' 2 11 DG H2'' 2.340 . 2.810 2.136 2.122 2.153 . 0 0 "[ . ]" 1
239 2 11 DG H1' 2 11 DG H3' 3.160 2.530 3.790 3.555 3.509 3.611 . 0 0 "[ . ]" 1
240 2 11 DG H1' 2 11 DG H8 3.700 2.960 4.440 3.930 3.887 3.976 . 0 0 "[ . ]" 1
241 2 11 DG H2' 2 11 DG H3' 2.530 2.020 3.040 2.391 2.376 2.405 . 0 0 "[ . ]" 1
242 2 11 DG H2'' 2 11 DG H3' 2.760 2.210 3.310 2.689 2.636 2.777 . 0 0 "[ . ]" 1
243 2 11 DG H3' 2 11 DG H8 3.870 3.100 4.640 4.676 4.566 4.720 0.080 3 0 "[ . ]" 1
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