NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
532492 |
2lby   |
17580 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lby
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 340
_Distance_constraint_stats_list.Viol_count 715
_Distance_constraint_stats_list.Viol_total 1603.154
_Distance_constraint_stats_list.Viol_max 1.063
_Distance_constraint_stats_list.Viol_rms 0.1546
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0472
_Distance_constraint_stats_list.Viol_average_violations_only 0.2242
_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 DT 4.993 0.228 10 0 "[ . 1]"
1 2 DA 10.238 1.063 8 4 "[* *.- + 1]"
1 3 DG 9.323 0.939 5 9 "[*** +***-*]"
1 4 DG 11.981 1.018 3 7 "[* +** **-]"
1 5 DG 12.664 0.966 7 8 "[ ***.*+**-]"
1 6 DA 8.971 0.994 1 8 "[+**-. ****]"
1 7 DG 4.576 0.418 8 0 "[ . 1]"
1 8 DG 9.197 0.322 4 0 "[ . 1]"
1 9 DG 10.683 0.927 6 4 "[* * -+ 1]"
1 10 DT 7.158 0.779 6 1 "[ .+ 1]"
1 11 DA 9.805 0.878 3 2 "[ + .- 1]"
1 12 DG 6.087 0.526 7 5 "[** .-+ *]"
1 13 DG 12.151 1.012 5 6 "[ - *+ ***]"
1 14 DG 11.986 0.989 7 10 [****-*+***]
1 15 DA 3.943 0.878 7 1 "[ . + 1]"
1 16 DG 4.047 0.391 8 0 "[ . 1]"
1 17 DG 18.223 0.986 1 7 "[+*-*.* **1]"
1 18 DG 13.342 0.965 6 9 "[**-**+ ***]"
1 19 DT 17.660 0.837 6 9 "[*-* *+****]"
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 DT H1' 1 1 DT H2' 3.100 2.420 3.780 2.956 2.940 2.964 . 0 0 "[ . 1]" 1
2 1 1 DT H1' 1 1 DT H2'' 2.500 . 3.190 2.262 2.247 2.267 . 0 0 "[ . 1]" 1
3 1 1 DT H1' 1 1 DT H4' 3.190 2.510 3.870 3.284 3.197 3.359 . 0 0 "[ . 1]" 1
4 1 1 DT H1' 1 1 DT H6 3.220 2.520 3.920 3.521 3.515 3.531 . 0 0 "[ . 1]" 1
5 1 1 DT H1' 1 1 DT M7 5.500 4.510 6.490 5.015 5.010 5.027 . 0 0 "[ . 1]" 1
6 1 1 DT H1' 1 2 DA H8 4.600 3.710 5.490 5.261 4.869 5.579 0.089 6 0 "[ . 1]" 1
7 1 1 DT H2' 1 1 DT H2'' 2.340 . 2.810 1.814 1.813 1.815 0.057 3 0 "[ . 1]" 1
8 1 1 DT H2' 1 1 DT H3' 2.630 2.050 3.210 2.250 2.243 2.255 . 0 0 "[ . 1]" 1
9 1 1 DT H2' 1 1 DT H6 3.800 3.080 4.520 3.580 3.557 3.636 . 0 0 "[ . 1]" 1
10 1 1 DT H2' 1 2 DA H8 3.080 2.380 3.780 2.525 2.341 2.678 0.039 9 0 "[ . 1]" 1
11 1 1 DT H2'' 1 1 DT H3' 3.200 2.580 3.820 2.828 2.811 2.864 . 0 0 "[ . 1]" 1
12 1 1 DT H2'' 1 1 DT H6 4.100 3.300 4.900 4.618 4.604 4.646 . 0 0 "[ . 1]" 1
13 1 1 DT H2'' 1 2 DA H8 3.600 2.930 4.270 3.590 2.913 4.279 0.017 3 0 "[ . 1]" 1
14 1 1 DT H3' 1 1 DT Q5' 2.650 . 3.300 2.315 2.182 2.480 . 0 0 "[ . 1]" 1
15 1 1 DT H3' 1 1 DT H6 5.500 4.520 6.480 4.402 4.319 4.460 0.201 6 0 "[ . 1]" 1
16 1 1 DT H3' 1 2 DA H8 4.300 3.440 5.160 3.483 3.256 3.794 0.184 5 0 "[ . 1]" 1
17 1 1 DT H5' 1 1 DT H5'' 2.140 . 2.770 1.775 1.774 1.775 . 0 0 "[ . 1]" 1
18 1 1 DT H6 1 1 DT M7 3.200 2.600 3.800 2.373 2.372 2.374 0.228 10 0 "[ . 1]" 1
19 1 1 DT H6 1 2 DA H8 5.000 4.000 6.000 5.440 4.846 6.064 0.064 3 0 "[ . 1]" 1
20 1 2 DA H1' 1 2 DA H2 5.000 4.020 5.980 4.488 4.475 4.518 . 0 0 "[ . 1]" 1
21 1 2 DA H1' 1 2 DA H2' 3.210 2.520 3.900 2.949 2.908 2.969 . 0 0 "[ . 1]" 1
22 1 2 DA H1' 1 2 DA H2'' 2.420 . 3.060 2.259 2.238 2.272 . 0 0 "[ . 1]" 1
23 1 2 DA H1' 1 2 DA H3' 3.990 3.190 4.790 3.955 3.932 3.973 . 0 0 "[ . 1]" 1
24 1 2 DA H1' 1 2 DA H4' 3.250 2.540 3.960 3.120 3.006 3.238 . 0 0 "[ . 1]" 1
25 1 2 DA H1' 1 2 DA Q5' 5.520 4.540 6.500 4.290 4.132 4.355 0.408 6 0 "[ . 1]" 1
26 1 2 DA H1' 1 2 DA H8 3.700 3.000 4.400 3.889 3.881 3.901 . 0 0 "[ . 1]" 1
27 1 2 DA H1' 1 3 DG H8 4.010 3.210 4.810 4.223 3.581 4.742 . 0 0 "[ . 1]" 1
28 1 2 DA H2 1 3 DG H1 6.000 4.500 7.500 5.855 5.121 6.242 . 0 0 "[ . 1]" 1
29 1 2 DA H2 1 16 DG H1 6.000 4.500 7.500 7.543 7.510 7.579 0.079 6 0 "[ . 1]" 1
30 1 2 DA H2' 1 2 DA H8 2.650 . 3.360 2.470 2.207 2.744 . 0 0 "[ . 1]" 1
31 1 2 DA H2' 1 3 DG H8 3.570 2.850 4.290 2.907 2.812 3.220 0.038 1 0 "[ . 1]" 1
32 1 2 DA H2'' 1 2 DA H8 3.510 2.680 4.340 4.039 3.811 4.236 . 0 0 "[ . 1]" 1
33 1 2 DA H2'' 1 3 DG H8 2.550 . 3.310 2.626 2.330 3.009 . 0 0 "[ . 1]" 1
34 1 2 DA H3' 1 2 DA H8 4.010 3.210 4.810 3.601 3.253 3.835 . 0 0 "[ . 1]" 1
35 1 2 DA Q5' 1 2 DA H8 5.520 4.540 6.500 3.945 3.477 4.413 1.063 8 4 "[* *.- + 1]" 1
36 1 2 DA H8 1 3 DG H1 6.000 4.500 7.500 7.361 6.885 7.513 0.013 1 0 "[ . 1]" 1
37 1 2 DA H8 1 16 DG H1 4.000 3.200 4.800 4.811 4.684 4.872 0.072 2 0 "[ . 1]" 1
38 1 3 DG H1 1 4 DG H1 4.110 3.320 4.900 4.023 3.573 4.340 . 0 0 "[ . 1]" 1
39 1 3 DG H1 1 7 DG H8 4.860 3.970 5.750 5.296 5.102 5.492 . 0 0 "[ . 1]" 1
40 1 3 DG H1 1 16 DG H1 4.700 3.820 5.580 4.394 4.276 4.501 . 0 0 "[ . 1]" 1
41 1 3 DG H1' 1 3 DG H2' 3.730 2.940 4.520 2.927 2.899 2.945 0.041 6 0 "[ . 1]" 1
42 1 3 DG H1' 1 3 DG H2'' 2.520 . 3.180 2.251 2.245 2.259 . 0 0 "[ . 1]" 1
43 1 3 DG H1' 1 3 DG H3' 4.050 3.260 4.860 3.996 3.984 4.009 . 0 0 "[ . 1]" 1
44 1 3 DG H1' 1 3 DG H4' 3.260 2.610 3.910 3.328 3.282 3.409 . 0 0 "[ . 1]" 1
45 1 3 DG H1' 1 3 DG Q5' 4.850 3.960 5.740 4.274 4.233 4.360 . 0 0 "[ . 1]" 1
46 1 3 DG H1' 1 3 DG H8 3.700 2.940 4.460 3.858 3.780 3.888 . 0 0 "[ . 1]" 1
47 1 3 DG H1' 1 4 DG H8 4.180 3.340 5.020 4.699 4.321 5.066 0.046 7 0 "[ . 1]" 1
48 1 3 DG H2' 1 3 DG H2'' 2.290 . 2.790 1.811 1.809 1.813 . 0 0 "[ . 1]" 1
49 1 3 DG H2' 1 3 DG H3' 2.530 . 3.220 2.239 2.234 2.245 . 0 0 "[ . 1]" 1
50 1 3 DG H2' 1 3 DG H8 3.290 2.590 3.990 2.954 2.640 3.370 . 0 0 "[ . 1]" 1
51 1 3 DG H2' 1 4 DG H8 3.610 2.870 4.350 3.022 2.837 3.356 0.033 7 0 "[ . 1]" 1
52 1 3 DG H2'' 1 3 DG H8 3.680 2.880 4.480 4.359 4.163 4.600 0.120 7 0 "[ . 1]" 1
53 1 3 DG H2'' 1 4 DG H8 4.030 3.200 4.860 3.152 3.101 3.268 0.099 8 0 "[ . 1]" 1
54 1 3 DG H3' 1 3 DG H8 4.220 3.350 5.090 3.735 3.533 4.097 . 0 0 "[ . 1]" 1
55 1 3 DG H3' 1 4 DG H8 4.300 3.440 5.160 4.751 4.091 5.189 0.029 1 0 "[ . 1]" 1
56 1 3 DG Q5' 1 3 DG H8 4.580 3.710 5.450 2.916 2.771 3.736 0.939 5 9 "[*** +***-*]" 1
57 1 3 DG H8 1 4 DG H8 5.250 4.300 6.200 5.470 4.633 6.007 . 0 0 "[ . 1]" 1
58 1 3 DG H8 1 16 DG H1 5.100 4.210 5.990 4.683 4.378 5.227 . 0 0 "[ . 1]" 1
59 1 3 DG H8 1 17 DG H1 4.770 3.880 5.660 5.663 5.576 5.699 0.039 10 0 "[ . 1]" 1
60 1 4 DG H1 1 5 DG H1 4.050 3.250 4.850 4.312 3.939 4.680 . 0 0 "[ . 1]" 1
61 1 4 DG H1 1 7 DG H8 4.780 3.880 5.680 5.735 5.709 5.791 0.111 5 0 "[ . 1]" 1
62 1 4 DG H1 1 8 DG H1 4.690 3.810 5.570 4.460 4.333 4.518 . 0 0 "[ . 1]" 1
63 1 4 DG H1 1 8 DG H8 5.180 4.190 6.170 4.789 4.542 5.298 . 0 0 "[ . 1]" 1
64 1 4 DG H1' 1 4 DG H3' 4.090 3.280 4.900 3.975 3.958 3.994 . 0 0 "[ . 1]" 1
65 1 4 DG H1' 1 4 DG H4' 3.300 2.680 3.920 3.211 3.190 3.291 . 0 0 "[ . 1]" 1
66 1 4 DG H1' 1 4 DG Q5' 4.800 3.930 5.670 4.292 4.245 4.351 . 0 0 "[ . 1]" 1
67 1 4 DG H1' 1 4 DG H8 3.680 2.980 4.380 3.867 3.813 3.889 . 0 0 "[ . 1]" 1
68 1 4 DG H1' 1 5 DG H8 4.100 3.310 4.890 4.696 4.263 4.959 0.069 10 0 "[ . 1]" 1
69 1 4 DG Q2' 1 5 DG H1' 5.400 4.410 6.390 4.455 3.812 4.935 0.598 8 2 "[ . + -]" 1
70 1 4 DG Q2' 1 5 DG H8 3.590 2.870 4.310 2.653 2.394 2.892 0.476 10 0 "[ . 1]" 1
71 1 4 DG H2' 1 4 DG H8 2.980 2.230 3.730 2.851 2.615 3.274 . 0 0 "[ . 1]" 1
72 1 4 DG H2'' 1 4 DG H3' 3.440 2.850 4.030 2.868 2.826 2.916 0.024 4 0 "[ . 1]" 1
73 1 4 DG H2'' 1 4 DG H8 3.890 3.080 4.700 4.298 4.148 4.559 . 0 0 "[ . 1]" 1
74 1 4 DG H3' 1 4 DG H8 4.070 3.260 4.880 3.717 3.259 4.120 0.001 7 0 "[ . 1]" 1
75 1 4 DG H3' 1 5 DG H8 4.250 3.450 5.050 4.650 3.983 5.075 0.025 9 0 "[ . 1]" 1
76 1 4 DG H4' 1 4 DG H8 5.190 4.200 6.180 4.696 4.604 4.764 . 0 0 "[ . 1]" 1
77 1 4 DG Q5' 1 4 DG H8 5.000 4.050 5.950 3.359 3.032 4.049 1.018 3 7 "[* +** *-*]" 1
78 1 4 DG H8 1 5 DG H8 5.210 4.220 6.200 5.210 4.398 6.042 . 0 0 "[ . 1]" 1
79 1 4 DG H8 1 17 DG H1 5.160 4.210 6.110 4.910 4.594 5.478 . 0 0 "[ . 1]" 1
80 1 4 DG H8 1 18 DG H1 4.750 3.870 5.630 5.546 5.249 5.660 0.030 10 0 "[ . 1]" 1
81 1 5 DG H1 1 8 DG H8 4.780 3.890 5.670 5.738 5.699 5.775 0.105 4 0 "[ . 1]" 1
82 1 5 DG H1 1 9 DG H1 4.700 3.820 5.580 4.450 4.304 4.514 . 0 0 "[ . 1]" 1
83 1 5 DG H1 1 9 DG H8 5.150 4.160 6.140 5.007 4.680 5.301 . 0 0 "[ . 1]" 1
84 1 5 DG H1 1 18 DG H1 4.680 3.800 5.560 4.467 4.317 4.556 . 0 0 "[ . 1]" 1
85 1 5 DG H1' 1 5 DG Q2' 3.060 2.260 3.860 2.198 2.184 2.208 0.076 5 0 "[ . 1]" 1
86 1 5 DG H1' 1 5 DG H3' 4.050 3.240 4.860 3.965 3.921 3.994 . 0 0 "[ . 1]" 1
87 1 5 DG H1' 1 5 DG H4' 3.300 2.650 3.950 3.249 2.904 3.412 . 0 0 "[ . 1]" 1
88 1 5 DG H1' 1 5 DG Q5' 4.980 4.090 5.870 4.237 4.197 4.357 . 0 0 "[ . 1]" 1
89 1 5 DG H1' 1 5 DG H8 3.680 2.920 4.440 3.846 3.760 3.888 . 0 0 "[ . 1]" 1
90 1 5 DG H2' 1 5 DG H8 2.950 2.200 3.730 2.937 2.283 3.445 . 0 0 "[ . 1]" 1
91 1 5 DG H2'' 1 5 DG H8 3.790 2.990 4.590 4.345 3.901 4.648 0.058 10 0 "[ . 1]" 1
92 1 5 DG H3' 1 5 DG H8 4.350 3.510 5.190 4.042 3.484 4.333 0.026 1 0 "[ . 1]" 1
93 1 5 DG Q5' 1 5 DG H8 4.780 3.900 5.660 3.218 2.934 4.681 0.966 7 8 "[ **-.*+***]" 1
94 1 5 DG H8 1 18 DG H1 4.900 4.020 5.780 4.798 4.588 5.135 . 0 0 "[ . 1]" 1
95 1 6 DA H1' 1 6 DA H2 4.580 3.700 5.460 4.582 4.480 4.715 . 0 0 "[ . 1]" 1
96 1 6 DA H1' 1 6 DA H2' 3.500 2.800 4.200 2.937 2.918 2.954 . 0 0 "[ . 1]" 1
97 1 6 DA H1' 1 6 DA H2'' 2.620 . 3.260 2.256 2.251 2.263 . 0 0 "[ . 1]" 1
98 1 6 DA H1' 1 6 DA H3' 4.020 3.210 4.830 3.986 3.973 4.009 . 0 0 "[ . 1]" 1
99 1 6 DA H1' 1 6 DA H4' 3.280 2.650 3.910 3.275 3.199 3.415 . 0 0 "[ . 1]" 1
100 1 6 DA H1' 1 6 DA H5' 5.000 4.050 5.950 4.968 4.742 5.110 . 0 0 "[ . 1]" 1
101 1 6 DA H1' 1 6 DA H8 3.650 2.970 4.330 3.832 3.749 3.892 . 0 0 "[ . 1]" 1
102 1 6 DA Q2' 1 6 DA H8 3.680 2.950 4.410 2.896 2.278 3.440 0.672 9 3 "[ * -. +1]" 1
103 1 6 DA H2'' 1 6 DA H3' 3.270 2.720 3.820 2.855 2.823 2.881 . 0 0 "[ . 1]" 1
104 1 6 DA H3' 1 6 DA H5' 3.100 2.320 3.880 2.926 2.404 3.571 . 0 0 "[ . 1]" 1
105 1 6 DA H3' 1 6 DA H8 4.180 3.350 5.010 3.863 3.402 4.439 . 0 0 "[ . 1]" 1
106 1 6 DA H4' 1 6 DA H8 4.650 3.770 5.530 4.677 4.530 4.915 . 0 0 "[ . 1]" 1
107 1 6 DA Q5' 1 6 DA H8 5.000 4.000 6.000 3.403 3.006 4.283 0.994 1 6 "[+ -*. ** *]" 1
108 1 7 DG H1 1 8 DG H1 4.070 3.270 4.870 4.342 4.161 4.519 . 0 0 "[ . 1]" 1
109 1 7 DG H1 1 12 DG H1 4.690 3.810 5.570 4.370 4.251 4.497 . 0 0 "[ . 1]" 1
110 1 7 DG H1 1 12 DG H8 5.180 4.230 6.130 4.871 4.472 5.333 . 0 0 "[ . 1]" 1
111 1 7 DG H1' 1 7 DG H2' 3.650 2.930 4.370 2.956 2.947 2.970 . 0 0 "[ . 1]" 1
112 1 7 DG H1' 1 7 DG H2'' 2.700 2.080 3.320 2.265 2.258 2.273 . 0 0 "[ . 1]" 1
113 1 7 DG H1' 1 7 DG H3' 4.020 3.210 4.830 3.966 3.938 3.989 . 0 0 "[ . 1]" 1
114 1 7 DG H1' 1 7 DG H4' 3.320 2.670 3.970 3.220 3.112 3.354 . 0 0 "[ . 1]" 1
115 1 7 DG H1' 1 7 DG Q5' 5.100 4.160 6.040 4.310 4.276 4.362 . 0 0 "[ . 1]" 1
116 1 7 DG H1' 1 7 DG H8 3.780 3.120 4.440 3.839 3.797 3.863 . 0 0 "[ . 1]" 1
117 1 7 DG H1' 1 8 DG H8 4.120 3.300 4.940 4.417 3.960 4.779 . 0 0 "[ . 1]" 1
118 1 7 DG H2' 1 7 DG H2'' 2.290 . 2.790 1.813 1.812 1.813 . 0 0 "[ . 1]" 1
119 1 7 DG H2' 1 7 DG H3' 2.670 2.080 3.260 2.239 2.236 2.245 . 0 0 "[ . 1]" 1
120 1 7 DG H2' 1 7 DG H8 3.580 2.990 4.170 3.092 2.968 3.296 0.022 1 0 "[ . 1]" 1
121 1 7 DG H2' 1 8 DG H8 3.680 2.920 4.440 2.836 2.779 2.880 0.141 9 0 "[ . 1]" 1
122 1 7 DG H2'' 1 7 DG H3' 3.290 2.730 3.850 2.831 2.800 2.856 . 0 0 "[ . 1]" 1
123 1 7 DG H2'' 1 7 DG H8 4.020 3.210 4.830 4.453 4.379 4.569 . 0 0 "[ . 1]" 1
124 1 7 DG H2'' 1 8 DG H8 3.390 2.780 4.000 2.792 2.579 3.012 0.201 9 0 "[ . 1]" 1
125 1 7 DG H3' 1 7 DG H5' 4.010 3.170 4.850 3.541 3.533 3.550 . 0 0 "[ . 1]" 1
126 1 7 DG H3' 1 7 DG H5'' 3.010 2.370 3.650 2.566 2.410 2.633 . 0 0 "[ . 1]" 1
127 1 7 DG H3' 1 7 DG H8 4.170 3.360 4.980 4.069 3.883 4.336 . 0 0 "[ . 1]" 1
128 1 7 DG H3' 1 8 DG H8 4.390 3.590 5.190 4.592 4.426 4.731 . 0 0 "[ . 1]" 1
129 1 7 DG H4' 1 7 DG H8 5.550 4.560 6.540 4.645 4.559 4.717 0.001 8 0 "[ . 1]" 1
130 1 7 DG Q5' 1 7 DG H8 4.900 4.010 5.790 3.743 3.592 3.886 0.418 8 0 "[ . 1]" 1
131 1 7 DG H5' 1 7 DG H8 4.510 3.670 5.350 3.927 3.765 4.088 . 0 0 "[ . 1]" 1
132 1 7 DG H5'' 1 7 DG H8 4.530 3.650 5.410 4.723 4.424 4.980 . 0 0 "[ . 1]" 1
133 1 7 DG H8 1 8 DG H8 5.300 4.310 6.290 5.380 5.052 5.578 . 0 0 "[ . 1]" 1
134 1 8 DG H1 1 9 DG H1 4.190 3.370 5.010 4.125 3.781 4.354 . 0 0 "[ . 1]" 1
135 1 8 DG H1 1 12 DG H8 4.830 3.930 5.730 5.739 5.662 5.773 0.043 7 0 "[ . 1]" 1
136 1 8 DG H1 1 13 DG H1 4.680 3.800 5.560 4.417 4.215 4.508 . 0 0 "[ . 1]" 1
137 1 8 DG H1 1 13 DG H8 5.150 4.160 6.140 5.087 4.598 5.519 . 0 0 "[ . 1]" 1
138 1 8 DG H1' 1 8 DG Q2' 3.010 2.280 3.740 2.184 2.181 2.188 0.099 2 0 "[ . 1]" 1
139 1 8 DG H1' 1 8 DG H3' 4.090 3.290 4.890 3.954 3.922 3.979 . 0 0 "[ . 1]" 1
140 1 8 DG H1' 1 8 DG H4' 3.300 2.720 3.880 3.072 2.887 3.194 . 0 0 "[ . 1]" 1
141 1 8 DG H1' 1 8 DG Q5' 5.180 4.330 6.030 4.268 4.202 4.319 0.128 9 0 "[ . 1]" 1
142 1 8 DG H1' 1 8 DG H8 3.680 3.040 4.320 3.889 3.879 3.905 . 0 0 "[ . 1]" 1
143 1 8 DG H1' 1 9 DG H8 4.100 3.300 4.900 4.330 4.077 4.656 . 0 0 "[ . 1]" 1
144 1 8 DG H2' 1 8 DG H2'' 2.080 . 2.760 1.811 1.809 1.812 . 0 0 "[ . 1]" 1
145 1 8 DG Q2' 1 9 DG H8 3.540 2.820 4.260 2.581 2.498 2.696 0.322 4 0 "[ . 1]" 1
146 1 8 DG H2' 1 8 DG H3' 2.600 2.060 3.140 2.238 2.232 2.245 . 0 0 "[ . 1]" 1
147 1 8 DG H2' 1 8 DG H8 3.490 2.810 4.170 2.721 2.578 2.851 0.232 1 0 "[ . 1]" 1
148 1 8 DG H2'' 1 8 DG H8 4.020 3.230 4.810 4.219 4.125 4.304 . 0 0 "[ . 1]" 1
149 1 8 DG H3' 1 8 DG H4' 3.780 3.020 4.540 2.967 2.947 2.992 0.073 6 0 "[ . 1]" 1
150 1 8 DG H3' 1 8 DG H5' 4.030 3.240 4.820 3.551 3.526 3.582 . 0 0 "[ . 1]" 1
151 1 8 DG H3' 1 8 DG H5'' 3.370 2.640 4.100 2.758 2.644 2.876 . 0 0 "[ . 1]" 1
152 1 8 DG H3' 1 8 DG H8 4.280 3.430 5.130 3.541 3.407 3.653 0.023 2 0 "[ . 1]" 1
153 1 8 DG H3' 1 9 DG H8 4.380 3.500 5.260 4.862 4.670 5.215 . 0 0 "[ . 1]" 1
154 1 8 DG H4' 1 8 DG H5' 3.300 2.640 3.960 2.482 2.454 2.511 0.186 3 0 "[ . 1]" 1
155 1 8 DG H4' 1 8 DG H5'' 2.810 2.130 3.490 2.429 2.400 2.460 . 0 0 "[ . 1]" 1
156 1 8 DG H5' 1 8 DG H5'' 2.270 . 2.780 1.784 1.782 1.785 . 0 0 "[ . 1]" 1
157 1 8 DG H5' 1 8 DG H8 5.050 4.100 6.000 4.415 4.209 4.848 . 0 0 "[ . 1]" 1
158 1 8 DG H5'' 1 8 DG H8 5.290 4.310 6.270 5.017 4.738 5.390 . 0 0 "[ . 1]" 1
159 1 8 DG H8 1 9 DG H8 5.280 4.290 6.270 5.115 4.959 5.274 . 0 0 "[ . 1]" 1
160 1 9 DG H1 1 13 DG H8 4.800 3.920 5.680 5.680 5.366 5.751 0.071 7 0 "[ . 1]" 1
161 1 9 DG H1 1 14 DG H1 4.690 3.810 5.570 4.443 4.298 4.519 . 0 0 "[ . 1]" 1
162 1 9 DG H1 1 14 DG H8 5.080 4.090 6.070 4.788 4.495 5.033 . 0 0 "[ . 1]" 1
163 1 9 DG H1' 1 9 DG Q2' 3.230 2.400 4.060 2.190 2.185 2.197 0.215 5 0 "[ . 1]" 1
164 1 9 DG H1' 1 9 DG H3' 4.070 3.250 4.890 3.965 3.950 3.979 . 0 0 "[ . 1]" 1
165 1 9 DG H1' 1 9 DG H4' 3.300 2.640 3.960 3.153 3.088 3.231 . 0 0 "[ . 1]" 1
166 1 9 DG H1' 1 9 DG Q5' 5.180 4.230 6.130 4.288 4.259 4.310 . 0 0 "[ . 1]" 1
167 1 9 DG H1' 1 9 DG H8 3.680 2.930 4.430 3.879 3.806 3.895 . 0 0 "[ . 1]" 1
168 1 9 DG H1' 1 11 DA H2 6.500 5.000 8.000 7.869 6.742 8.065 0.065 3 0 "[ . 1]" 1
169 1 9 DG H2' 1 9 DG H8 3.550 2.840 4.260 2.827 2.721 3.287 0.119 7 0 "[ . 1]" 1
170 1 9 DG H2'' 1 9 DG H8 4.090 3.270 4.910 4.289 4.221 4.569 . 0 0 "[ . 1]" 1
171 1 9 DG H3' 1 9 DG Q5' 3.380 2.530 4.230 2.396 2.187 2.556 0.343 3 0 "[ . 1]" 1
172 1 9 DG H3' 1 9 DG H8 4.180 3.360 5.000 3.771 3.623 4.205 . 0 0 "[ . 1]" 1
173 1 9 DG Q5' 1 9 DG H8 4.880 4.000 5.760 3.691 3.073 4.158 0.927 6 4 "[* * -+ 1]" 1
174 1 10 DT H1' 1 10 DT H2' 3.350 2.820 3.880 2.913 2.872 2.977 . 0 0 "[ . 1]" 1
175 1 10 DT H1' 1 10 DT H2'' 2.360 . 3.010 2.254 2.249 2.279 . 0 0 "[ . 1]" 1
176 1 10 DT H1' 1 10 DT H3' 4.050 3.240 4.860 3.977 3.925 4.021 . 0 0 "[ . 1]" 1
177 1 10 DT H1' 1 10 DT H4' 3.250 2.660 3.840 3.232 2.990 3.486 . 0 0 "[ . 1]" 1
178 1 10 DT H1' 1 10 DT Q5' 4.650 3.750 5.550 4.226 4.121 4.293 . 0 0 "[ . 1]" 1
179 1 10 DT H1' 1 10 DT H6 3.680 2.990 4.370 3.537 3.514 3.623 . 0 0 "[ . 1]" 1
180 1 10 DT H1' 1 10 DT M7 6.080 5.080 7.080 5.028 5.012 5.092 0.068 9 0 "[ . 1]" 1
181 1 10 DT H1' 1 11 DA H8 6.500 5.300 7.700 5.408 5.240 6.244 0.060 5 0 "[ . 1]" 1
182 1 10 DT H2' 1 10 DT H6 3.700 2.920 4.480 3.585 3.197 3.680 . 0 0 "[ . 1]" 1
183 1 10 DT H2'' 1 10 DT H6 4.000 3.200 4.800 4.590 4.423 4.619 . 0 0 "[ . 1]" 1
184 1 10 DT H3' 1 10 DT H4' 3.300 2.620 3.980 2.944 2.912 2.967 . 0 0 "[ . 1]" 1
185 1 10 DT H3' 1 10 DT H6 4.600 3.790 5.410 3.965 3.786 4.155 0.004 2 0 "[ . 1]" 1
186 1 10 DT H3' 1 11 DA H1' 6.200 5.000 7.400 6.938 6.349 7.530 0.130 2 0 "[ . 1]" 1
187 1 10 DT H3' 1 11 DA H8 5.300 4.300 6.300 5.484 4.848 6.359 0.059 3 0 "[ . 1]" 1
188 1 10 DT H4' 1 10 DT H6 4.400 3.560 5.240 4.207 4.032 4.359 . 0 0 "[ . 1]" 1
189 1 10 DT H4' 1 11 DA H1' 6.200 5.000 7.400 4.844 4.730 4.909 0.270 3 0 "[ . 1]" 1
190 1 10 DT H4' 1 11 DA H8 5.500 4.500 6.500 4.588 4.416 5.062 0.084 10 0 "[ . 1]" 1
191 1 10 DT Q5' 1 10 DT H6 4.050 3.250 4.850 2.843 2.471 3.102 0.779 6 1 "[ .+ 1]" 1
192 1 10 DT Q5' 1 11 DA H1' 5.800 4.800 6.800 5.905 5.133 6.102 . 0 0 "[ . 1]" 1
193 1 10 DT Q5' 1 11 DA H8 5.500 4.400 6.600 5.912 5.579 6.044 . 0 0 "[ . 1]" 1
194 1 11 DA H1' 1 11 DA H2 5.000 3.800 6.200 4.483 4.459 4.506 . 0 0 "[ . 1]" 1
195 1 11 DA H1' 1 11 DA Q2' 3.100 2.340 3.860 2.190 2.180 2.203 0.160 4 0 "[ . 1]" 1
196 1 11 DA H1' 1 11 DA H3' 3.880 3.230 4.530 3.986 3.916 4.022 . 0 0 "[ . 1]" 1
197 1 11 DA H1' 1 11 DA H4' 3.270 2.640 3.900 3.317 2.900 3.493 . 0 0 "[ . 1]" 1
198 1 11 DA H1' 1 11 DA Q5' 4.680 3.790 5.570 4.334 4.211 4.394 . 0 0 "[ . 1]" 1
199 1 11 DA H1' 1 11 DA H8 3.300 2.770 3.930 3.893 3.887 3.898 . 0 0 "[ . 1]" 1
200 1 11 DA H1' 1 12 DG H2' 5.600 4.600 6.600 6.167 5.803 6.620 0.020 5 0 "[ . 1]" 1
201 1 11 DA H1' 1 12 DG H3' 5.400 4.400 6.400 4.747 4.464 4.937 . 0 0 "[ . 1]" 1
202 1 11 DA Q2' 1 11 DA H8 3.500 2.770 4.230 2.352 2.263 2.444 0.507 6 1 "[ .+ 1]" 1
203 1 11 DA H3' 1 11 DA H8 4.500 3.610 5.390 3.617 3.417 3.882 0.193 10 0 "[ . 1]" 1
204 1 11 DA Q5' 1 11 DA H8 4.580 3.700 5.460 3.902 2.822 4.645 0.878 3 1 "[ + . 1]" 1
205 1 12 DG H1 1 13 DG H1 4.070 3.270 4.870 4.371 4.190 4.526 . 0 0 "[ . 1]" 1
206 1 12 DG H1 1 16 DG H1 4.750 3.860 5.640 4.405 4.259 4.528 . 0 0 "[ . 1]" 1
207 1 12 DG H1 1 16 DG H8 4.990 4.010 5.970 5.430 4.953 5.659 . 0 0 "[ . 1]" 1
208 1 12 DG H1' 1 12 DG Q2' 2.700 . 3.570 2.189 2.177 2.218 . 0 0 "[ . 1]" 1
209 1 12 DG H1' 1 12 DG H3' 4.050 3.240 4.860 3.962 3.911 3.981 . 0 0 "[ . 1]" 1
210 1 12 DG H1' 1 12 DG H4' 3.320 2.730 3.910 3.163 3.097 3.231 . 0 0 "[ . 1]" 1
211 1 12 DG H1' 1 12 DG Q5' 5.080 4.100 6.060 4.109 4.069 4.120 0.031 5 0 "[ . 1]" 1
212 1 12 DG H1' 1 12 DG H8 3.740 3.080 4.400 3.831 3.782 3.881 . 0 0 "[ . 1]" 1
213 1 12 DG H1' 1 13 DG H8 4.150 3.520 4.960 4.516 4.140 5.001 0.041 10 0 "[ . 1]" 1
214 1 12 DG H2' 1 12 DG H2'' 2.020 . 2.500 1.812 1.811 1.813 . 0 0 "[ . 1]" 1
215 1 12 DG H2' 1 12 DG H8 2.980 2.330 3.630 3.165 2.793 3.391 . 0 0 "[ . 1]" 1
216 1 12 DG H2' 1 13 DG H8 3.680 2.930 4.430 2.881 2.812 2.906 0.118 6 0 "[ . 1]" 1
217 1 12 DG H2'' 1 12 DG H3' 3.090 2.210 3.970 2.870 2.788 2.897 . 0 0 "[ . 1]" 1
218 1 12 DG H2'' 1 12 DG H8 3.890 3.090 4.690 4.492 4.265 4.627 . 0 0 "[ . 1]" 1
219 1 12 DG H2'' 1 13 DG H8 3.230 2.520 3.940 2.650 2.457 3.105 0.063 4 0 "[ . 1]" 1
220 1 12 DG H3' 1 12 DG Q5' 3.450 2.800 4.100 2.311 2.274 2.375 0.526 7 5 "[** .-+ *]" 1
221 1 12 DG H3' 1 12 DG H8 4.100 3.290 4.910 3.926 3.463 4.578 . 0 0 "[ . 1]" 1
222 1 12 DG H3' 1 13 DG H8 4.400 3.520 5.280 4.387 4.100 4.642 . 0 0 "[ . 1]" 1
223 1 12 DG H4' 1 12 DG H8 5.190 4.200 6.180 4.656 4.605 4.707 . 0 0 "[ . 1]" 1
224 1 12 DG H5'' 1 12 DG H8 4.980 4.080 5.880 4.067 4.025 4.152 0.055 8 0 "[ . 1]" 1
225 1 12 DG H8 1 13 DG H8 5.200 4.210 6.190 5.805 5.433 6.203 0.013 4 0 "[ . 1]" 1
226 1 13 DG H1 1 14 DG H1 4.100 3.300 4.900 4.323 4.163 4.576 . 0 0 "[ . 1]" 1
227 1 13 DG H1 1 16 DG H8 4.900 4.010 5.790 5.583 5.075 5.828 0.038 6 0 "[ . 1]" 1
228 1 13 DG H1 1 17 DG H8 5.190 4.220 6.160 4.838 4.599 5.374 . 0 0 "[ . 1]" 1
229 1 13 DG H1' 1 13 DG H2' 3.700 2.930 4.470 2.951 2.927 2.980 0.003 5 0 "[ . 1]" 1
230 1 13 DG H1' 1 13 DG H2'' 3.150 2.460 3.840 2.273 2.264 2.285 0.196 2 0 "[ . 1]" 1
231 1 13 DG H1' 1 13 DG H3' 4.100 3.280 4.920 3.986 3.952 4.018 . 0 0 "[ . 1]" 1
232 1 13 DG H1' 1 13 DG H4' 3.300 2.620 3.980 3.277 3.112 3.432 . 0 0 "[ . 1]" 1
233 1 13 DG H1' 1 13 DG Q5' 5.150 4.160 6.140 4.290 4.064 4.356 0.096 5 0 "[ . 1]" 1
234 1 13 DG H1' 1 13 DG H8 3.690 2.990 4.390 3.884 3.880 3.890 . 0 0 "[ . 1]" 1
235 1 13 DG H1' 1 14 DG H8 4.150 3.350 4.950 3.991 3.299 4.563 0.051 5 0 "[ . 1]" 1
236 1 13 DG Q2' 1 13 DG H8 3.700 2.950 4.450 2.493 2.175 2.760 0.775 5 4 "[ - *+ *]" 1
237 1 13 DG H2' 1 14 DG H8 3.830 3.050 4.610 3.096 3.008 3.293 0.042 7 0 "[ . 1]" 1
238 1 13 DG H2'' 1 14 DG H8 3.350 2.640 4.060 2.862 2.473 3.213 0.167 6 0 "[ . 1]" 1
239 1 13 DG H3' 1 13 DG H8 4.050 3.240 4.860 3.636 3.394 3.948 . 0 0 "[ . 1]" 1
240 1 13 DG H3' 1 14 DG H8 4.350 3.500 5.200 5.018 4.521 5.240 0.040 5 0 "[ . 1]" 1
241 1 13 DG Q5' 1 13 DG H8 4.950 4.060 5.840 3.696 3.048 4.313 1.012 5 3 "[ + -*1]" 1
242 1 13 DG H8 1 14 DG H8 5.150 4.160 6.140 4.802 4.385 5.275 . 0 0 "[ . 1]" 1
243 1 14 DG H1 1 17 DG H8 4.840 3.990 5.690 5.694 5.441 5.736 0.046 2 0 "[ . 1]" 1
244 1 14 DG H1 1 18 DG H1 4.680 3.800 5.560 4.421 4.288 4.507 . 0 0 "[ . 1]" 1
245 1 14 DG H1 1 18 DG H8 5.090 4.140 6.040 4.962 4.641 5.387 . 0 0 "[ . 1]" 1
246 1 14 DG H1 1 19 DT M7 4.600 3.680 5.520 3.820 3.119 4.468 0.561 5 1 "[ + 1]" 1
247 1 14 DG H1' 1 14 DG H2' 3.490 2.840 4.140 2.976 2.959 2.991 . 0 0 "[ . 1]" 1
248 1 14 DG H1' 1 14 DG H2'' 2.570 . 3.280 2.276 2.268 2.287 . 0 0 "[ . 1]" 1
249 1 14 DG H1' 1 14 DG H3' 4.080 3.270 4.890 3.936 3.914 3.958 . 0 0 "[ . 1]" 1
250 1 14 DG H1' 1 14 DG H4' 3.280 2.580 3.980 3.140 3.028 3.247 . 0 0 "[ . 1]" 1
251 1 14 DG H1' 1 14 DG Q5' 5.000 4.010 5.990 4.237 4.206 4.274 . 0 0 "[ . 1]" 1
252 1 14 DG H1' 1 14 DG H8 3.700 2.920 4.480 3.824 3.738 3.894 . 0 0 "[ . 1]" 1
253 1 14 DG H2' 1 14 DG H8 3.490 2.710 4.270 3.144 2.698 3.516 0.012 1 0 "[ . 1]" 1
254 1 14 DG H2'' 1 14 DG H8 4.010 3.200 4.820 4.471 4.185 4.688 . 0 0 "[ . 1]" 1
255 1 14 DG H3' 1 14 DG H8 4.170 3.360 4.980 4.299 4.069 4.611 . 0 0 "[ . 1]" 1
256 1 14 DG H4' 1 14 DG H8 5.140 4.150 6.130 4.713 4.575 4.856 . 0 0 "[ . 1]" 1
257 1 14 DG Q5' 1 14 DG H8 5.250 4.260 6.240 3.326 3.271 3.408 0.989 7 10 [******+**-] 1
258 1 15 DA H1' 1 15 DA H2 4.580 3.690 5.470 4.514 4.479 4.705 . 0 0 "[ . 1]" 1
259 1 15 DA H1' 1 15 DA H2' 3.570 2.880 4.260 2.935 2.886 2.960 . 0 0 "[ . 1]" 1
260 1 15 DA H1' 1 15 DA H2'' 3.080 2.340 3.820 2.261 2.250 2.267 0.090 8 0 "[ . 1]" 1
261 1 15 DA H1' 1 15 DA H3' 4.080 3.250 4.910 3.999 3.957 4.032 . 0 0 "[ . 1]" 1
262 1 15 DA H1' 1 15 DA H4' 3.300 2.690 3.910 3.316 3.069 3.521 . 0 0 "[ . 1]" 1
263 1 15 DA H1' 1 15 DA Q5' 4.850 3.960 5.740 4.350 4.230 4.398 . 0 0 "[ . 1]" 1
264 1 15 DA H1' 1 15 DA H8 3.680 3.000 4.360 3.871 3.759 3.894 . 0 0 "[ . 1]" 1
265 1 15 DA H2' 1 15 DA H3' 3.120 2.340 3.900 2.249 2.247 2.253 0.093 7 0 "[ . 1]" 1
266 1 15 DA H2' 1 15 DA H8 3.490 2.690 4.290 2.812 2.626 3.505 0.064 10 0 "[ . 1]" 1
267 1 15 DA H2'' 1 15 DA H8 4.090 3.270 4.910 4.271 4.156 4.687 . 0 0 "[ . 1]" 1
268 1 15 DA H3' 1 15 DA H5' 3.000 2.320 3.680 3.454 2.459 3.591 . 0 0 "[ . 1]" 1
269 1 15 DA H3' 1 15 DA H8 4.020 3.210 4.830 3.708 3.513 4.259 . 0 0 "[ . 1]" 1
270 1 15 DA H4' 1 15 DA H8 5.190 4.200 6.180 4.644 4.425 4.835 . 0 0 "[ . 1]" 1
271 1 15 DA Q5' 1 15 DA H8 4.590 3.790 5.470 3.700 2.912 4.237 0.878 7 1 "[ . + 1]" 1
272 1 16 DG H1 1 17 DG H1 4.180 3.380 4.980 4.246 3.601 4.577 . 0 0 "[ . 1]" 1
273 1 16 DG H1' 1 16 DG H2' 3.650 2.900 4.400 2.942 2.916 2.971 . 0 0 "[ . 1]" 1
274 1 16 DG H1' 1 16 DG H2'' 3.010 2.190 3.830 2.259 2.252 2.273 . 0 0 "[ . 1]" 1
275 1 16 DG H1' 1 16 DG H3' 4.050 3.220 4.880 3.970 3.951 3.990 . 0 0 "[ . 1]" 1
276 1 16 DG H1' 1 16 DG H4' 3.470 2.820 4.120 3.188 3.070 3.282 . 0 0 "[ . 1]" 1
277 1 16 DG H1' 1 16 DG Q5' 5.150 4.160 6.140 4.224 4.087 4.332 0.073 8 0 "[ . 1]" 1
278 1 16 DG H1' 1 16 DG H8 3.680 3.050 4.310 3.837 3.788 3.870 . 0 0 "[ . 1]" 1
279 1 16 DG H1' 1 17 DG H8 4.190 3.360 5.020 4.765 4.093 5.013 . 0 0 "[ . 1]" 1
280 1 16 DG H2' 1 16 DG H2'' 2.090 . 2.570 1.812 1.811 1.813 . 0 0 "[ . 1]" 1
281 1 16 DG Q2' 1 17 DG H8 3.400 2.700 4.100 2.475 2.309 2.761 0.391 8 0 "[ . 1]" 1
282 1 16 DG H2' 1 16 DG H3' 2.730 . 3.500 2.237 2.233 2.248 . 0 0 "[ . 1]" 1
283 1 16 DG H2' 1 16 DG H8 3.480 2.800 4.160 3.126 2.868 3.394 . 0 0 "[ . 1]" 1
284 1 16 DG H2'' 1 16 DG H8 4.160 3.370 4.950 4.470 4.310 4.623 . 0 0 "[ . 1]" 1
285 1 16 DG H3' 1 16 DG H5' 3.050 2.410 3.690 3.059 2.275 3.537 0.135 8 0 "[ . 1]" 1
286 1 16 DG H3' 1 16 DG H8 4.090 3.290 4.890 3.924 3.795 4.076 . 0 0 "[ . 1]" 1
287 1 16 DG H3' 1 17 DG H8 4.390 3.530 5.250 4.246 3.764 4.647 . 0 0 "[ . 1]" 1
288 1 16 DG H4' 1 16 DG H8 4.990 4.110 5.870 4.647 4.531 4.730 . 0 0 "[ . 1]" 1
289 1 16 DG H5' 1 16 DG H8 4.080 3.280 4.880 3.588 3.080 4.175 0.200 10 0 "[ . 1]" 1
290 1 16 DG H5'' 1 16 DG H8 4.350 3.520 5.180 4.473 3.786 4.979 . 0 0 "[ . 1]" 1
291 1 16 DG H8 1 17 DG H8 5.300 4.310 6.290 5.465 5.297 5.586 . 0 0 "[ . 1]" 1
292 1 17 DG H1 1 18 DG H1 4.090 3.290 4.890 4.428 4.206 4.784 . 0 0 "[ . 1]" 1
293 1 17 DG H1' 1 17 DG Q2' 3.080 2.270 3.890 2.196 2.178 2.222 0.092 10 0 "[ . 1]" 1
294 1 17 DG H1' 1 17 DG H3' 4.020 3.220 4.820 3.949 3.917 3.977 . 0 0 "[ . 1]" 1
295 1 17 DG H1' 1 17 DG H4' 3.370 2.620 4.120 3.135 3.016 3.228 . 0 0 "[ . 1]" 1
296 1 17 DG H1' 1 17 DG Q5' 5.180 4.190 6.170 4.269 4.211 4.321 . 0 0 "[ . 1]" 1
297 1 17 DG H1' 1 17 DG H8 3.750 3.010 4.490 3.891 3.884 3.896 . 0 0 "[ . 1]" 1
298 1 17 DG H1' 1 18 DG H8 4.200 3.410 4.990 3.984 3.501 4.457 . 0 0 "[ . 1]" 1
299 1 17 DG Q2' 1 17 DG H3' 2.680 . 3.440 2.163 2.158 2.169 . 0 0 "[ . 1]" 1
300 1 17 DG Q2' 1 17 DG H8 3.750 3.000 4.500 2.467 2.254 2.609 0.746 3 4 "[ -+*. * 1]" 1
301 1 17 DG Q2' 1 18 DG H8 3.590 2.810 4.370 2.434 2.257 2.655 0.553 2 4 "[ +-*. * 1]" 1
302 1 17 DG H3' 1 17 DG H8 4.190 3.380 5.000 3.690 3.393 3.985 . 0 0 "[ . 1]" 1
303 1 17 DG H3' 1 18 DG H8 4.350 3.660 5.040 4.920 4.726 5.078 0.038 6 0 "[ . 1]" 1
304 1 17 DG Q5' 1 17 DG H8 5.270 4.280 5.970 3.772 3.294 4.543 0.986 1 5 "[+* -.* *1]" 1
305 1 17 DG H8 1 18 DG H8 5.250 4.260 6.240 5.129 4.766 5.429 . 0 0 "[ . 1]" 1
306 1 18 DG H1' 1 18 DG H2' 3.480 2.760 4.200 2.914 2.874 2.926 . 0 0 "[ . 1]" 1
307 1 18 DG H1' 1 18 DG H2'' 2.650 . 3.510 2.247 2.239 2.254 . 0 0 "[ . 1]" 1
308 1 18 DG H1' 1 18 DG H3' 4.050 3.260 4.840 3.989 3.972 4.026 . 0 0 "[ . 1]" 1
309 1 18 DG H1' 1 18 DG H4' 3.300 2.620 3.980 3.258 3.149 3.499 . 0 0 "[ . 1]" 1
310 1 18 DG H1' 1 18 DG Q5' 4.950 4.060 5.840 4.271 4.040 4.339 0.020 6 0 "[ . 1]" 1
311 1 18 DG H1' 1 18 DG H8 3.750 3.100 4.400 3.870 3.857 3.894 . 0 0 "[ . 1]" 1
312 1 18 DG H1' 1 19 DT H6 4.500 3.600 5.400 4.834 4.374 5.376 . 0 0 "[ . 1]" 1
313 1 18 DG H1' 1 19 DT M7 5.500 4.510 6.490 5.106 4.563 5.285 . 0 0 "[ . 1]" 1
314 1 18 DG H2' 1 18 DG H2'' 2.100 . 2.740 1.811 1.809 1.813 . 0 0 "[ . 1]" 1
315 1 18 DG H2' 1 18 DG H3' 2.640 2.110 3.170 2.241 2.238 2.249 . 0 0 "[ . 1]" 1
316 1 18 DG H2' 1 18 DG H8 2.980 2.510 3.450 2.860 2.351 3.014 0.159 6 0 "[ . 1]" 1
317 1 18 DG H2' 1 19 DT H6 3.200 2.440 3.910 2.763 2.387 3.237 0.053 4 0 "[ . 1]" 1
318 1 18 DG H2'' 1 18 DG H3' 3.500 2.920 4.080 2.894 2.873 2.921 0.047 10 0 "[ . 1]" 1
319 1 18 DG H2'' 1 18 DG H8 4.050 3.240 4.860 4.303 3.969 4.402 . 0 0 "[ . 1]" 1
320 1 18 DG H2'' 1 19 DT H6 3.100 2.390 3.800 3.477 2.805 3.840 0.040 7 0 "[ . 1]" 1
321 1 18 DG H3' 1 18 DG H8 4.170 3.330 5.010 3.521 3.116 3.681 0.214 6 0 "[ . 1]" 1
322 1 18 DG H3' 1 19 DT H6 4.900 3.900 5.900 4.540 3.853 5.103 0.047 4 0 "[ . 1]" 1
323 1 18 DG H4' 1 18 DG H8 4.700 3.830 5.570 4.657 4.595 4.766 . 0 0 "[ . 1]" 1
324 1 18 DG Q5' 1 18 DG H8 4.650 3.800 5.500 3.216 2.835 3.975 0.965 6 7 "[** -*+ **]" 1
325 1 18 DG H8 1 19 DT H6 4.500 3.660 5.340 4.744 4.425 5.342 0.002 1 0 "[ . 1]" 1
326 1 18 DG H8 1 19 DT M7 4.500 3.600 5.400 3.384 3.268 3.852 0.332 5 0 "[ . 1]" 1
327 1 19 DT H1' 1 19 DT Q2' 3.100 2.400 3.800 2.201 2.197 2.207 0.203 8 0 "[ . 1]" 1
328 1 19 DT H1' 1 19 DT H3' 4.000 3.200 4.800 3.940 3.924 3.947 . 0 0 "[ . 1]" 1
329 1 19 DT H1' 1 19 DT H4' 3.000 2.320 3.680 3.038 2.994 3.098 . 0 0 "[ . 1]" 1
330 1 19 DT H1' 1 19 DT Q5' 4.550 3.660 5.440 4.271 4.254 4.302 . 0 0 "[ . 1]" 1
331 1 19 DT H1' 1 19 DT H6 3.700 3.010 4.390 3.626 3.544 3.763 . 0 0 "[ . 1]" 1
332 1 19 DT Q2' 1 19 DT H3' 2.700 2.060 3.340 2.168 2.166 2.171 . 0 0 "[ . 1]" 1
333 1 19 DT Q2' 1 19 DT H4' 4.650 3.800 5.500 3.295 3.266 3.348 0.534 7 6 "[ -* * +**1]" 1
334 1 19 DT Q2' 1 19 DT H6 3.800 3.070 4.530 3.028 2.233 3.424 0.837 6 3 "[- .+ *]" 1
335 1 19 DT H3' 1 19 DT H6 4.450 3.570 5.330 3.961 3.445 4.281 0.125 6 0 "[ . 1]" 1
336 1 19 DT H4' 1 19 DT H6 4.080 3.280 4.880 4.444 4.346 4.686 . 0 0 "[ . 1]" 1
337 1 19 DT H5' 1 19 DT H5'' 2.090 . 2.650 1.773 1.772 1.775 . 0 0 "[ . 1]" 1
338 1 19 DT H5' 1 19 DT H6 4.550 3.580 5.520 4.736 4.276 4.881 . 0 0 "[ . 1]" 1
339 1 19 DT H5'' 1 19 DT H6 4.380 3.510 5.250 3.608 3.292 4.826 0.218 7 0 "[ . 1]" 1
340 1 19 DT H6 1 19 DT M7 3.180 2.580 3.780 2.372 2.369 2.375 0.211 4 0 "[ . 1]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, May 20, 2024 1:06:43 PM GMT (wattos1)