NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
405944 |
1xcz   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xcz
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 329
_Distance_constraint_stats_list.Viol_count 622
_Distance_constraint_stats_list.Viol_total 313.055
_Distance_constraint_stats_list.Viol_max 0.849
_Distance_constraint_stats_list.Viol_rms 0.0638
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0117
_Distance_constraint_stats_list.Viol_average_violations_only 0.0559
_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 0.686 0.044 3 0 "[ . ]"
1 2 DG 6.151 0.621 8 9 [*****-*+*]
1 3 DT 7.930 0.621 8 9 [*****-*+*]
1 4 DA 0.370 0.032 5 0 "[ . ]"
1 5 DC 1.196 0.121 9 0 "[ . ]"
1 6 DXD 0.072 0.012 6 0 "[ . ]"
1 7 DC 0.010 0.004 3 0 "[ . ]"
1 8 DA 1.981 0.225 9 0 "[ . ]"
1 9 DT 2.033 0.225 9 0 "[ . ]"
1 10 DG 2.228 0.149 3 0 "[ . ]"
1 11 DC 0.760 0.035 2 0 "[ . ]"
2 1 DG 4.744 0.174 3 0 "[ . ]"
2 2 DC 2.263 0.113 3 0 "[ . ]"
2 3 DA 7.740 0.849 4 9 [-**+*****]
2 4 DT 11.748 0.849 4 9 [-**+*****]
2 5 DG 0.166 0.011 4 0 "[ . ]"
2 6 DA 0.791 0.069 1 0 "[ . ]"
2 7 DG 0.155 0.016 9 0 "[ . ]"
2 8 DT 0.423 0.061 4 0 "[ . ]"
2 9 DA 0.195 0.018 5 0 "[ . ]"
2 10 DC 0.640 0.031 6 0 "[ . ]"
2 11 DG 0.275 0.017 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 H6 3.210 2.610 3.810 3.606 3.600 3.609 . 0 0 "[ . ]" 1
2 1 1 DC H3' 1 1 DC H6 4.090 3.190 4.990 4.016 3.993 4.040 . 0 0 "[ . ]" 1
3 1 1 DC H5' 1 1 DC H6 2.340 . 2.940 2.816 2.801 2.833 . 0 0 "[ . ]" 1
4 1 1 DC H4' 1 1 DC H6 4.110 3.510 4.710 3.613 3.596 3.628 . 0 0 "[ . ]" 1
5 1 1 DC H2' 1 1 DC H6 2.750 2.150 3.350 2.171 2.150 2.207 . 0 0 "[ . ]" 1
6 1 1 DC H1' 1 1 DC H3' 3.120 2.220 4.020 3.792 3.773 3.802 . 0 0 "[ . ]" 1
7 1 1 DC H1' 1 1 DC H4' 3.020 2.120 3.920 3.461 3.453 3.469 . 0 0 "[ . ]" 1
8 1 1 DC H1' 1 1 DC H2'' 1.990 . 2.590 2.475 2.469 2.485 . 0 0 "[ . ]" 1
9 1 1 DC H1' 1 1 DC H2' 3.690 3.090 4.290 3.049 3.046 3.053 0.044 3 0 "[ . ]" 1
10 1 1 DC H3' 1 1 DC H4' 4.110 3.210 5.010 3.227 3.226 3.228 . 0 0 "[ . ]" 1
11 1 1 DC H2'' 1 1 DC H3' 2.800 2.200 3.400 2.489 2.477 2.496 . 0 0 "[ . ]" 1
12 1 1 DC H2' 1 1 DC H3' 3.340 . 4.840 2.305 2.299 2.314 . 0 0 "[ . ]" 1
13 1 1 DC H4' 1 1 DC H5' 2.140 . 3.040 2.264 2.260 2.269 . 0 0 "[ . ]" 1
14 1 1 DC H2' 1 1 DC H4' 3.300 2.400 4.200 3.659 3.644 3.669 . 0 0 "[ . ]" 1
15 1 1 DC H2' 1 1 DC H5 4.010 3.110 4.910 4.169 4.155 4.187 . 0 0 "[ . ]" 1
16 1 1 DC H2'' 1 1 DC H5 4.590 3.690 5.490 5.497 5.496 5.498 0.008 4 0 "[ . ]" 1
17 1 1 DC H4' 1 1 DC H5 4.810 3.310 6.310 5.948 5.947 5.949 . 0 0 "[ . ]" 1
18 1 1 DC H1' 1 2 DG H8 3.460 2.860 4.060 3.193 3.072 3.275 . 0 0 "[ . ]" 1
19 1 2 DG H3' 1 2 DG H8 4.850 4.250 5.450 4.613 4.586 4.630 . 0 0 "[ . ]" 1
20 1 1 DC H3' 1 2 DG H8 4.290 3.690 4.890 4.406 4.368 4.442 . 0 0 "[ . ]" 1
21 1 2 DG H1' 1 2 DG H8 3.250 2.650 3.850 3.854 3.853 3.856 0.006 8 0 "[ . ]" 1
22 1 2 DG H4' 1 2 DG H8 5.700 4.800 6.600 4.793 4.792 4.796 0.008 8 0 "[ . ]" 1
23 1 2 DG H5' 1 2 DG H8 3.180 2.480 3.880 3.895 3.894 3.897 0.017 1 0 "[ . ]" 1
24 1 2 DG H5'' 1 2 DG H8 4.160 3.260 5.060 4.791 4.728 4.827 . 0 0 "[ . ]" 1
25 1 2 DG H2'' 1 2 DG H8 3.300 2.700 3.900 3.803 3.744 3.832 . 0 0 "[ . ]" 1
26 1 2 DG H2' 1 2 DG H8 2.130 . 2.730 2.392 2.329 2.422 . 0 0 "[ . ]" 1
27 1 1 DC H2' 1 2 DG H8 3.840 3.240 4.440 3.318 3.250 3.377 . 0 0 "[ . ]" 1
28 1 2 DG H8 1 3 DT H6 5.640 4.740 6.540 5.121 5.007 5.177 . 0 0 "[ . ]" 1
29 1 2 DG H1' 1 2 DG H4' 3.420 2.820 4.020 3.369 3.349 3.410 . 0 0 "[ . ]" 1
30 1 2 DG H1' 1 2 DG H3' 4.910 4.010 5.810 3.968 3.967 3.970 0.043 8 0 "[ . ]" 1
31 1 2 DG H2'' 1 2 DG H4' 4.140 3.540 4.740 4.128 4.119 4.146 . 0 0 "[ . ]" 1
32 1 2 DG H2' 1 2 DG H4' 4.440 3.840 5.040 3.811 3.810 3.813 0.030 1 0 "[ . ]" 1
33 1 2 DG H1' 1 3 DT H6 3.740 3.140 4.340 3.163 3.162 3.164 . 0 0 "[ . ]" 1
34 1 3 DT H1' 1 3 DT H6 3.690 3.090 4.290 3.732 3.725 3.737 . 0 0 "[ . ]" 1
35 1 2 DG H3' 1 3 DT H6 5.610 4.710 6.510 5.236 5.217 5.265 . 0 0 "[ . ]" 1
36 1 3 DT H4' 1 3 DT H6 4.650 3.750 5.550 4.766 4.741 4.806 . 0 0 "[ . ]" 1
37 1 2 DG H2'' 1 3 DT H6 2.910 2.010 3.810 2.499 2.476 2.521 . 0 0 "[ . ]" 1
38 1 3 DT H2'' 1 3 DT H6 2.800 2.200 3.400 3.438 3.433 3.441 0.041 5 0 "[ . ]" 1
39 1 3 DT H2' 1 3 DT H6 3.330 2.730 3.930 2.672 2.670 2.675 0.060 2 0 "[ . ]" 1
40 1 2 DG H2' 1 3 DT H6 3.920 3.320 4.520 3.933 3.900 3.972 . 0 0 "[ . ]" 1
41 1 3 DT H5' 1 3 DT H6 2.740 . 3.640 3.666 3.664 3.670 0.030 6 0 "[ . ]" 1
42 1 3 DT H1' 1 3 DT H2' 2.790 2.190 3.390 3.114 3.108 3.119 . 0 0 "[ . ]" 1
43 1 3 DT H1' 1 3 DT H2'' 2.320 . 2.920 2.416 2.395 2.422 . 0 0 "[ . ]" 1
44 1 3 DT H2' 1 3 DT H3' 3.600 2.100 5.100 2.227 2.219 2.241 . 0 0 "[ . ]" 1
45 1 3 DT H1' 1 4 DA H8 3.070 2.470 3.670 3.672 3.670 3.674 0.004 4 0 "[ . ]" 1
46 1 4 DA H8 1 5 DC H6 5.290 4.390 6.190 4.792 4.472 5.181 . 0 0 "[ . ]" 1
47 1 4 DA H1' 1 4 DA H3' 3.800 3.480 4.400 3.762 3.752 3.775 . 0 0 "[ . ]" 1
48 1 4 DA H2' 1 4 DA H4' 3.470 2.870 4.070 3.624 3.619 3.628 . 0 0 "[ . ]" 1
49 1 4 DA H2'' 1 4 DA H4' 3.200 2.600 3.800 3.831 3.830 3.832 0.032 5 0 "[ . ]" 1
50 1 4 DA H2' 1 4 DA H2'' 1.650 . 2.550 1.832 1.826 1.836 . 0 0 "[ . ]" 1
51 1 4 DA H1' 1 5 DC H6 2.800 . 3.700 3.707 3.705 3.709 0.009 1 0 "[ . ]" 1
52 1 5 DC H1' 1 5 DC H6 3.980 3.080 4.880 3.499 3.465 3.520 . 0 0 "[ . ]" 1
53 1 5 DC H5 1 5 DC H6 2.860 2.260 3.460 2.287 2.260 2.318 . 0 0 "[ . ]" 1
54 1 5 DC H4' 1 5 DC H6 5.130 4.230 6.030 5.327 5.273 5.392 . 0 0 "[ . ]" 1
55 1 5 DC H5' 1 5 DC H6 4.290 3.390 5.190 4.901 4.693 5.037 . 0 0 "[ . ]" 1
56 1 4 DA H2'' 1 5 DC H6 3.130 2.530 3.730 2.663 2.600 2.760 . 0 0 "[ . ]" 1
57 1 4 DA H2' 1 5 DC H6 4.090 3.190 4.990 4.071 3.880 4.334 . 0 0 "[ . ]" 1
58 1 5 DC H2'' 1 5 DC H6 3.050 2.450 3.650 2.896 2.788 3.013 . 0 0 "[ . ]" 1
59 1 5 DC H2' 1 5 DC H6 3.040 2.440 3.640 2.323 2.319 2.329 0.121 9 0 "[ . ]" 1
60 1 4 DA H3' 1 5 DC H6 5.080 4.180 5.980 5.303 5.251 5.342 . 0 0 "[ . ]" 1
61 1 5 DC H1' 1 6 DXD H3' 4.400 3.800 5.000 5.008 5.002 5.012 0.012 6 0 "[ . ]" 1
62 1 5 DC H1' 1 5 DC H5 3.900 2.400 5.400 5.054 5.047 5.059 . 0 0 "[ . ]" 1
63 1 5 DC H1' 1 5 DC H4' 3.890 3.290 4.490 3.483 3.359 3.618 . 0 0 "[ . ]" 1
64 1 5 DC H2' 1 5 DC H5 4.450 3.550 5.350 4.607 4.576 4.646 . 0 0 "[ . ]" 1
65 1 4 DA H2' 1 5 DC H5 3.270 2.370 4.170 4.167 4.136 4.173 0.003 7 0 "[ . ]" 1
66 1 5 DC H2' 1 5 DC H2'' 1.500 . 2.400 1.805 1.804 1.806 . 0 0 "[ . ]" 1
67 1 7 DC H1' 1 7 DC H6 2.900 . 3.800 3.764 3.752 3.786 . 0 0 "[ . ]" 1
68 1 7 DC H5 1 7 DC H6 2.420 . 3.020 2.425 2.411 2.438 . 0 0 "[ . ]" 1
69 1 6 DXD H3' 1 7 DC H6 5.200 4.300 6.100 5.034 4.818 5.198 . 0 0 "[ . ]" 1
70 1 7 DC H4' 1 7 DC H6 5.360 4.460 6.260 4.668 4.530 4.861 . 0 0 "[ . ]" 1
71 1 7 DC H5' 1 7 DC H6 3.710 2.810 4.610 3.843 3.602 4.136 . 0 0 "[ . ]" 1
72 1 7 DC H2'' 1 7 DC H6 3.180 2.280 4.080 3.393 3.173 3.685 . 0 0 "[ . ]" 1
73 1 7 DC H2' 1 7 DC H6 1.990 . 2.590 2.043 1.947 2.281 . 0 0 "[ . ]" 1
74 1 7 DC H3' 1 7 DC H4' 2.390 . 3.290 2.685 2.670 2.694 . 0 0 "[ . ]" 1
75 1 7 DC H2'' 1 7 DC H5 5.360 4.460 6.260 5.341 5.229 5.473 . 0 0 "[ . ]" 1
76 1 7 DC H1' 1 8 DA H8 3.890 3.290 4.490 3.459 3.286 3.621 0.004 3 0 "[ . ]" 1
77 1 8 DA H1' 1 8 DA H8 4.250 3.650 4.850 3.886 3.877 3.894 . 0 0 "[ . ]" 1
78 1 8 DA H3' 1 8 DA H8 4.690 4.090 5.290 4.609 4.566 4.639 . 0 0 "[ . ]" 1
79 1 8 DA H4' 1 8 DA H8 5.850 4.950 6.750 5.218 5.175 5.252 . 0 0 "[ . ]" 1
80 1 8 DA H5' 1 8 DA H8 4.150 3.250 5.050 4.624 4.459 4.729 . 0 0 "[ . ]" 1
81 1 8 DA H2'' 1 8 DA H8 2.910 2.310 3.510 3.411 3.399 3.428 . 0 0 "[ . ]" 1
82 1 8 DA H2' 1 8 DA H8 2.110 . 2.710 2.141 2.121 2.162 . 0 0 "[ . ]" 1
83 1 7 DC H2'' 1 8 DA H8 3.010 2.410 3.610 2.763 2.406 2.958 0.004 7 0 "[ . ]" 1
84 1 7 DC H2' 1 8 DA H8 3.820 3.220 4.420 4.263 4.017 4.414 . 0 0 "[ . ]" 1
85 1 8 DA H8 1 9 DT H6 5.450 4.550 6.350 4.539 4.537 4.542 0.013 3 0 "[ . ]" 1
86 1 7 DC H6 1 8 DA H8 4.620 3.720 5.520 5.017 4.622 5.364 . 0 0 "[ . ]" 1
87 1 8 DA H2'' 1 8 DA H4' 4.130 3.230 5.030 4.122 4.099 4.152 . 0 0 "[ . ]" 1
88 1 8 DA H1' 1 9 DT H6 2.600 . 3.200 2.835 2.833 2.839 . 0 0 "[ . ]" 1
89 1 9 DT H1' 1 9 DT H6 4.000 3.100 4.900 3.714 3.708 3.718 . 0 0 "[ . ]" 1
90 1 8 DA H3' 1 9 DT H6 6.300 5.700 6.900 5.672 5.670 5.674 0.030 8 0 "[ . ]" 1
91 1 9 DT H5' 1 9 DT H6 3.720 2.820 4.620 4.512 4.439 4.585 . 0 0 "[ . ]" 1
92 1 8 DA H2'' 1 9 DT H6 2.880 2.280 3.480 2.966 2.956 2.973 . 0 0 "[ . ]" 1
93 1 8 DA H2' 1 9 DT H6 3.570 2.970 4.170 4.195 4.193 4.197 0.027 3 0 "[ . ]" 1
94 1 9 DT H2'' 1 9 DT H6 3.600 3.000 4.200 3.174 3.114 3.251 . 0 0 "[ . ]" 1
95 1 9 DT H2' 1 9 DT H6 1.440 . 2.040 2.046 2.042 2.050 0.010 8 0 "[ . ]" 1
96 1 9 DT H4' 1 9 DT H6 4.790 3.890 5.690 4.820 4.736 4.877 . 0 0 "[ . ]" 1
97 1 9 DT H1' 1 9 DT H2' 4.240 2.740 5.740 3.184 3.181 3.186 . 0 0 "[ . ]" 1
98 1 9 DT H1' 1 10 DG H8 3.430 2.530 4.330 2.997 2.864 3.078 . 0 0 "[ . ]" 1
99 1 10 DG H1' 1 10 DG H8 4.780 4.180 5.380 4.141 4.139 4.142 0.041 2 0 "[ . ]" 1
100 1 10 DG H3' 1 10 DG H8 5.670 5.070 6.270 5.156 5.133 5.189 . 0 0 "[ . ]" 1
101 1 10 DG H8 1 11 DC H5 4.050 3.450 4.650 4.663 4.661 4.666 0.016 6 0 "[ . ]" 1
102 1 10 DG H4' 1 10 DG H8 5.250 4.350 6.150 5.222 5.146 5.318 . 0 0 "[ . ]" 1
103 1 9 DT H3' 1 10 DG H8 5.420 4.520 6.320 4.997 4.890 5.121 . 0 0 "[ . ]" 1
104 1 9 DT H2' 1 10 DG H8 3.520 2.920 4.120 3.961 3.861 4.072 . 0 0 "[ . ]" 1
105 1 9 DT H2'' 1 10 DG H8 2.040 . 2.640 2.452 2.382 2.574 . 0 0 "[ . ]" 1
106 1 10 DG H2' 1 10 DG H8 3.040 2.440 3.640 2.850 2.810 2.943 . 0 0 "[ . ]" 1
107 1 9 DT H6 1 10 DG H8 3.650 2.750 4.550 4.361 4.111 4.555 0.005 4 0 "[ . ]" 1
108 1 10 DG H8 1 11 DC H6 7.140 6.540 7.740 6.516 6.510 6.517 0.030 5 0 "[ . ]" 1
109 1 10 DG H1' 1 10 DG H2'' 2.100 . 2.700 2.327 2.314 2.343 . 0 0 "[ . ]" 1
110 1 10 DG H1' 1 10 DG H3' 3.010 2.110 3.910 3.747 3.734 3.753 . 0 0 "[ . ]" 1
111 1 10 DG H1' 1 10 DG H2' 2.900 2.300 3.500 2.999 2.989 3.006 . 0 0 "[ . ]" 1
112 1 10 DG H1' 1 10 DG H4' 4.780 3.880 5.680 3.735 3.731 3.737 0.149 3 0 "[ . ]" 1
113 1 10 DG H1' 1 11 DC H6 4.330 3.430 5.230 3.438 3.425 3.466 0.005 6 0 "[ . ]" 1
114 1 11 DC H3' 1 11 DC H6 4.030 3.430 4.630 4.195 4.181 4.218 . 0 0 "[ . ]" 1
115 1 11 DC H4' 1 11 DC H6 4.960 4.060 5.860 4.776 4.740 4.845 . 0 0 "[ . ]" 1
116 1 11 DC H2'' 1 11 DC H6 2.610 2.010 3.210 2.850 2.845 2.853 . 0 0 "[ . ]" 1
117 1 11 DC H2' 1 11 DC H6 2.480 . 3.080 1.868 1.866 1.872 0.014 3 0 "[ . ]" 1
118 1 11 DC H1' 1 11 DC H6 3.190 2.290 4.090 3.537 3.528 3.542 . 0 0 "[ . ]" 1
119 1 11 DC H5 1 11 DC H6 3.080 2.480 3.680 2.651 2.650 2.652 . 0 0 "[ . ]" 1
120 1 11 DC H1' 1 11 DC H2' 2.770 2.170 3.370 3.131 3.117 3.139 . 0 0 "[ . ]" 1
121 1 11 DC H1' 1 11 DC H3' 4.940 4.040 5.840 4.006 4.005 4.009 0.035 2 0 "[ . ]" 1
122 1 11 DC H1' 1 11 DC H5 5.130 4.230 6.030 5.407 5.402 5.409 . 0 0 "[ . ]" 1
123 1 10 DG H1' 1 11 DC H1' 6.250 5.350 7.150 5.635 5.594 5.685 . 0 0 "[ . ]" 1
124 1 11 DC H1' 1 11 DC H4' 4.020 3.420 4.620 3.754 3.747 3.765 . 0 0 "[ . ]" 1
125 1 11 DC H2' 1 11 DC H3' 2.350 . 2.950 2.345 2.337 2.357 . 0 0 "[ . ]" 1
126 1 11 DC H2' 1 11 DC H5 3.680 2.780 4.580 4.511 4.504 4.514 . 0 0 "[ . ]" 1
127 1 11 DC H2'' 1 11 DC H5 5.460 4.560 6.360 5.307 5.287 5.335 . 0 0 "[ . ]" 1
128 2 1 DG H1' 2 1 DG H8 5.410 4.510 6.010 4.442 4.439 4.444 0.071 4 0 "[ . ]" 1
129 2 1 DG H8 2 2 DC H5 5.950 5.050 6.850 4.939 4.937 4.943 0.113 3 0 "[ . ]" 1
130 2 1 DG H4' 2 1 DG H8 7.740 6.240 9.240 6.069 6.066 6.071 0.174 3 0 "[ . ]" 1
131 2 1 DG H5'' 2 1 DG H8 5.160 4.260 6.060 5.389 5.367 5.412 . 0 0 "[ . ]" 1
132 2 1 DG H5' 2 1 DG H8 3.540 2.940 4.140 4.150 4.149 4.151 0.011 9 0 "[ . ]" 1
133 2 1 DG H2'' 2 1 DG H8 3.590 2.690 4.490 4.374 4.358 4.391 . 0 0 "[ . ]" 1
134 2 1 DG H2' 2 1 DG H8 2.680 2.080 3.280 3.286 3.284 3.288 0.008 5 0 "[ . ]" 1
135 2 1 DG H8 2 2 DC H6 5.620 4.720 6.520 6.458 6.450 6.468 . 0 0 "[ . ]" 1
136 2 1 DG H1' 2 2 DC H5 2.650 . 3.550 3.658 3.655 3.662 0.112 1 0 "[ . ]" 1
137 2 1 DG H2'' 2 1 DG H5' 5.130 4.230 6.030 4.208 4.207 4.210 0.023 9 0 "[ . ]" 1
138 2 1 DG H2' 2 1 DG H5'' 4.780 3.880 5.680 4.022 4.006 4.036 . 0 0 "[ . ]" 1
139 2 2 DC H1' 2 2 DC H6 3.410 2.510 4.310 3.814 3.806 3.822 . 0 0 "[ . ]" 1
140 2 1 DG H1' 2 2 DC H6 4.120 3.220 5.020 3.208 3.205 3.214 0.015 1 0 "[ . ]" 1
141 2 2 DC H2'' 2 2 DC H6 3.150 2.550 3.750 3.542 3.502 3.572 . 0 0 "[ . ]" 1
142 2 1 DG H2'' 2 2 DC H6 2.690 2.090 3.290 2.546 2.543 2.548 . 0 0 "[ . ]" 1
143 2 1 DG H2' 2 2 DC H6 3.420 2.520 4.320 4.340 4.337 4.341 0.021 3 0 "[ . ]" 1
144 2 2 DC H5' 2 2 DC H6 4.310 3.410 5.210 3.750 3.684 3.824 . 0 0 "[ . ]" 1
145 2 2 DC H1' 2 2 DC H2' 2.320 . 3.220 3.027 3.025 3.028 . 0 0 "[ . ]" 1
146 2 3 DA H2'' 2 3 DA H8 3.590 2.990 4.190 3.547 3.519 3.618 . 0 0 "[ . ]" 1
147 2 3 DA H2' 2 3 DA H8 2.180 . 2.780 2.183 2.154 2.205 . 0 0 "[ . ]" 1
148 2 2 DC H2'' 2 3 DA H8 3.010 2.410 3.610 2.552 2.407 2.727 0.003 3 0 "[ . ]" 1
149 2 2 DC H2' 2 3 DA H8 3.510 2.910 4.110 3.946 3.690 4.115 0.005 6 0 "[ . ]" 1
150 2 2 DC H1' 2 3 DA H8 3.200 2.600 3.800 3.372 3.269 3.561 . 0 0 "[ . ]" 1
151 2 3 DA H1' 2 3 DA H8 4.040 3.440 4.640 3.924 3.915 3.932 . 0 0 "[ . ]" 1
152 2 3 DA H3' 2 3 DA H8 4.650 4.050 5.250 4.456 4.404 4.495 . 0 0 "[ . ]" 1
153 2 3 DA H4' 2 3 DA H8 5.570 4.670 6.470 5.006 4.933 5.069 . 0 0 "[ . ]" 1
154 2 3 DA H5' 2 3 DA H8 4.520 3.620 5.420 4.606 4.415 4.865 . 0 0 "[ . ]" 1
155 2 3 DA H5'' 2 3 DA H8 5.180 4.280 6.080 5.207 5.024 5.450 . 0 0 "[ . ]" 1
156 2 3 DA H8 2 4 DT H6 6.290 5.390 7.190 5.402 5.383 5.525 0.007 7 0 "[ . ]" 1
157 2 2 DC H6 2 3 DA H8 4.680 3.780 5.580 4.802 4.546 5.015 . 0 0 "[ . ]" 1
158 2 3 DA H1' 2 3 DA H3' 4.520 3.920 5.120 3.902 3.901 3.905 0.019 8 0 "[ . ]" 1
159 2 3 DA H1' 2 3 DA H4' 2.600 . 3.200 3.118 2.951 3.203 0.003 8 0 "[ . ]" 1
160 2 3 DA H1' 2 3 DA H5'' 4.320 3.420 5.220 5.001 4.943 5.023 . 0 0 "[ . ]" 1
161 2 3 DA H1' 2 3 DA H2'' 2.450 . 3.050 2.474 2.460 2.493 . 0 0 "[ . ]" 1
162 2 3 DA H1' 2 3 DA H2' 3.130 2.530 3.730 3.047 3.041 3.060 . 0 0 "[ . ]" 1
163 2 3 DA H1' 2 4 DT H1' 4.840 3.940 5.740 5.236 5.079 5.312 . 0 0 "[ . ]" 1
164 2 3 DA H2'' 2 3 DA H4' 4.090 3.190 4.990 4.008 3.933 4.051 . 0 0 "[ . ]" 1
165 2 4 DT H2'' 2 4 DT H6 2.890 2.290 3.490 3.282 3.208 3.377 . 0 0 "[ . ]" 1
166 2 3 DA H1' 2 4 DT H6 2.730 2.130 3.330 3.329 3.311 3.334 0.004 7 0 "[ . ]" 1
167 2 4 DT H1' 2 4 DT H6 4.610 3.710 5.510 3.758 3.750 3.770 . 0 0 "[ . ]" 1
168 2 3 DA H3' 2 4 DT H6 6.630 5.130 8.130 5.508 5.506 5.509 . 0 0 "[ . ]" 1
169 2 3 DA H5'' 2 4 DT H6 7.480 6.580 8.380 7.514 7.492 7.529 . 0 0 "[ . ]" 1
170 2 4 DT H5' 2 4 DT H6 3.890 2.990 4.790 3.939 3.892 3.984 . 0 0 "[ . ]" 1
171 2 3 DA H4' 2 4 DT H6 5.740 4.840 6.640 6.000 5.819 6.101 . 0 0 "[ . ]" 1
172 2 4 DT H2' 2 4 DT H6 2.200 . 2.800 1.989 1.954 2.040 . 0 0 "[ . ]" 1
173 2 3 DA H2' 2 4 DT H6 3.830 3.230 4.430 4.435 4.431 4.437 0.007 7 0 "[ . ]" 1
174 2 3 DA H2'' 2 4 DT H6 2.210 . 2.810 2.822 2.819 2.823 0.013 8 0 "[ . ]" 1
175 2 4 DT H1' 2 4 DT H4' 3.230 2.330 4.130 3.270 3.220 3.310 . 0 0 "[ . ]" 1
176 2 4 DT H1' 2 4 DT H2' 3.710 3.110 4.310 3.105 3.103 3.106 0.007 4 0 "[ . ]" 1
177 2 4 DT H1' 2 4 DT H2'' 3.270 2.670 3.870 2.652 2.651 2.653 0.019 8 0 "[ . ]" 1
178 2 4 DT H2'' 2 4 DT H3' 2.110 . 2.710 2.676 2.674 2.680 . 0 0 "[ . ]" 1
179 2 4 DT H2' 2 4 DT H3' 2.160 . 2.760 2.376 2.360 2.403 . 0 0 "[ . ]" 1
180 2 4 DT H2' 2 4 DT H4' 3.610 2.710 4.510 3.603 3.590 3.620 . 0 0 "[ . ]" 1
181 2 4 DT H2' 2 4 DT H2'' 1.330 . 1.930 1.776 1.774 1.779 . 0 0 "[ . ]" 1
182 2 4 DT H1' 2 5 DG H8 5.310 4.410 6.210 4.407 4.404 4.409 0.006 4 0 "[ . ]" 1
183 2 5 DG H4' 2 5 DG H8 4.410 3.510 5.310 5.314 5.312 5.317 0.007 8 0 "[ . ]" 1
184 2 5 DG H2'' 2 5 DG H8 3.310 2.710 3.910 3.136 2.983 3.209 . 0 0 "[ . ]" 1
185 2 4 DT H2' 2 5 DG H8 4.480 3.880 5.080 3.877 3.875 3.878 0.005 3 0 "[ . ]" 1
186 2 4 DT H6 2 5 DG H8 4.740 3.840 5.640 4.004 3.838 4.439 0.002 2 0 "[ . ]" 1
187 2 5 DG H1' 2 5 DG H8 3.310 2.710 3.910 3.868 3.820 3.890 . 0 0 "[ . ]" 1
188 2 5 DG H1' 2 5 DG H4' 3.020 2.120 3.920 2.766 2.731 2.891 . 0 0 "[ . ]" 1
189 2 5 DG H1' 2 5 DG H5' 3.590 2.690 4.490 4.497 4.496 4.501 0.011 4 0 "[ . ]" 1
190 2 5 DG H1' 2 5 DG H2'' 3.120 2.520 3.720 2.521 2.519 2.526 0.001 1 0 "[ . ]" 1
191 2 5 DG H1' 2 6 DA H8 4.800 3.900 5.700 4.698 4.587 4.864 . 0 0 "[ . ]" 1
192 2 6 DA H1' 2 6 DA H8 4.430 3.830 5.030 4.154 4.151 4.157 . 0 0 "[ . ]" 1
193 2 6 DA H4' 2 6 DA H8 7.360 5.860 8.860 6.107 6.102 6.110 . 0 0 "[ . ]" 1
194 2 6 DA H2'' 2 6 DA H8 2.830 2.230 3.430 3.356 3.332 3.387 . 0 0 "[ . ]" 1
195 2 6 DA H2' 2 6 DA H8 1.890 . 2.490 2.510 2.507 2.513 0.023 2 0 "[ . ]" 1
196 2 6 DA H5' 2 6 DA H8 5.280 4.380 6.180 5.943 5.860 6.001 . 0 0 "[ . ]" 1
197 2 5 DG H8 2 6 DA H8 4.840 3.940 5.740 4.312 4.123 4.514 . 0 0 "[ . ]" 1
198 2 6 DA H1' 2 6 DA H4' 3.980 3.080 4.880 3.174 3.144 3.219 . 0 0 "[ . ]" 1
199 2 6 DA H1' 2 6 DA H2' 3.200 2.600 3.800 3.010 3.005 3.014 . 0 0 "[ . ]" 1
200 2 6 DA H1' 2 6 DA H2'' 2.630 2.030 3.230 2.452 2.438 2.461 . 0 0 "[ . ]" 1
201 2 6 DA H2' 2 6 DA H4' 5.740 4.240 7.240 4.174 4.171 4.175 0.069 1 0 "[ . ]" 1
202 2 6 DA H2'' 2 6 DA H4' 5.530 4.030 7.030 4.396 4.394 4.399 . 0 0 "[ . ]" 1
203 2 6 DA H1' 2 7 DG H8 3.410 2.510 4.310 2.711 2.613 2.777 . 0 0 "[ . ]" 1
204 2 7 DG H1' 2 7 DG H8 3.760 3.160 4.360 3.869 3.859 3.882 . 0 0 "[ . ]" 1
205 2 7 DG H3' 2 7 DG H8 4.030 3.130 4.930 4.307 4.279 4.348 . 0 0 "[ . ]" 1
206 2 7 DG H4' 2 7 DG H8 4.470 3.570 5.370 4.556 4.536 4.594 . 0 0 "[ . ]" 1
207 2 7 DG H5' 2 7 DG H8 2.930 . 4.430 3.436 3.434 3.438 . 0 0 "[ . ]" 1
208 2 7 DG H2'' 2 7 DG H8 3.120 2.520 3.560 3.573 3.571 3.576 0.016 9 0 "[ . ]" 1
209 2 6 DA H2' 2 7 DG H8 3.340 2.740 3.940 3.923 3.862 3.945 0.005 9 0 "[ . ]" 1
210 2 7 DG H8 2 8 DT H6 5.430 4.530 6.330 5.012 4.896 5.226 . 0 0 "[ . ]" 1
211 2 7 DG H1' 2 7 DG H2' 2.560 . 3.160 3.039 3.035 3.042 . 0 0 "[ . ]" 1
212 2 7 DG H1' 2 7 DG H2'' 2.110 . 2.710 2.444 2.438 2.448 . 0 0 "[ . ]" 1
213 2 7 DG H1' 2 7 DG H3' 3.390 2.490 4.290 3.821 3.800 3.835 . 0 0 "[ . ]" 1
214 2 7 DG H1' 2 7 DG H4' 3.380 2.780 3.980 3.551 3.523 3.575 . 0 0 "[ . ]" 1
215 2 7 DG H1' 2 8 DT H6 3.220 2.620 3.820 3.413 3.330 3.442 . 0 0 "[ . ]" 1
216 2 8 DT H1' 2 8 DT H6 4.340 3.440 5.240 3.726 3.715 3.731 . 0 0 "[ . ]" 1
217 2 7 DG H3' 2 8 DT H6 4.250 3.350 5.150 5.015 4.988 5.068 . 0 0 "[ . ]" 1
218 2 7 DG H2'' 2 8 DT H6 2.770 2.170 3.370 2.358 2.312 2.443 . 0 0 "[ . ]" 1
219 2 7 DG H2' 2 8 DT H6 4.340 3.740 4.940 3.866 3.771 4.033 . 0 0 "[ . ]" 1
220 2 8 DT H2'' 2 8 DT H6 2.850 2.250 3.450 3.134 3.132 3.138 . 0 0 "[ . ]" 1
221 2 8 DT H2' 2 8 DT H6 2.160 . 2.760 1.926 1.923 1.932 . 0 0 "[ . ]" 1
222 2 8 DT H4' 2 8 DT H6 5.570 4.070 6.170 4.847 4.796 4.878 . 0 0 "[ . ]" 1
223 2 7 DG H4' 2 8 DT H6 5.970 5.070 6.870 6.308 6.285 6.338 . 0 0 "[ . ]" 1
224 2 8 DT H1' 2 8 DT H2' 2.980 2.380 3.580 3.039 3.036 3.043 . 0 0 "[ . ]" 1
225 2 8 DT H1' 2 9 DA H8 2.930 2.330 3.530 3.214 3.087 3.312 . 0 0 "[ . ]" 1
226 2 9 DA H8 2 10 DC H6 5.130 4.230 6.030 5.184 4.988 5.272 . 0 0 "[ . ]" 1
227 2 8 DT H6 2 9 DA H8 5.260 4.360 6.160 4.528 4.423 4.727 . 0 0 "[ . ]" 1
228 2 9 DA H2'' 2 9 DA H3' 2.300 . 2.900 2.759 2.745 2.772 . 0 0 "[ . ]" 1
229 2 9 DA H2' 2 9 DA H3' 3.190 2.590 3.790 2.573 2.572 2.574 0.018 5 0 "[ . ]" 1
230 2 9 DA H1' 2 10 DC H6 2.380 . 3.280 3.070 2.976 3.218 . 0 0 "[ . ]" 1
231 2 10 DC H1' 2 10 DC H6 3.180 2.280 4.080 3.689 3.678 3.698 . 0 0 "[ . ]" 1
232 2 10 DC H5 2 10 DC H6 2.930 2.330 3.530 2.602 2.595 2.608 . 0 0 "[ . ]" 1
233 2 9 DA H3' 2 10 DC H6 4.960 4.060 5.860 5.043 5.003 5.197 . 0 0 "[ . ]" 1
234 2 10 DC H4' 2 10 DC H6 3.880 2.980 4.780 4.507 4.488 4.544 . 0 0 "[ . ]" 1
235 2 9 DA H2'' 2 10 DC H6 2.910 2.310 3.510 2.523 2.502 2.582 . 0 0 "[ . ]" 1
236 2 9 DA H2' 2 10 DC H6 3.520 2.920 4.120 4.123 4.122 4.125 0.005 9 0 "[ . ]" 1
237 2 10 DC H2'' 2 10 DC H6 2.850 2.250 3.450 3.455 3.450 3.459 0.009 4 0 "[ . ]" 1
238 2 10 DC H2' 2 10 DC H6 2.040 . 2.640 2.070 2.060 2.082 . 0 0 "[ . ]" 1
239 2 10 DC H3' 2 10 DC H6 2.880 2.280 3.880 3.909 3.906 3.911 0.031 6 0 "[ . ]" 1
240 2 10 DC H1' 2 10 DC H4' 3.400 2.500 4.300 3.228 3.066 3.284 . 0 0 "[ . ]" 1
241 2 10 DC H1' 2 10 DC H3' . 3.060 3.900 3.754 3.739 3.761 . 0 0 "[ . ]" 1
242 2 10 DC H3' 2 10 DC H5' 3.840 2.940 4.740 3.570 3.564 3.574 . 0 0 "[ . ]" 1
243 2 10 DC H2'' 2 10 DC H3' 2.130 . 2.730 2.663 2.653 2.677 . 0 0 "[ . ]" 1
244 2 10 DC H2' 2 10 DC H3' 2.390 . 2.990 2.119 2.107 2.124 . 0 0 "[ . ]" 1
245 2 10 DC H2' 2 10 DC H5 5.420 4.520 6.320 4.493 4.492 4.495 0.028 4 0 "[ . ]" 1
246 2 10 DC H2' 2 10 DC H2'' 1.490 . 2.090 1.790 1.783 1.798 . 0 0 "[ . ]" 1
247 2 10 DC H1' 2 11 DG H8 3.250 2.650 3.850 2.870 2.759 3.059 . 0 0 "[ . ]" 1
248 2 11 DG H1' 2 11 DG H8 4.300 3.700 4.900 3.931 3.920 3.940 . 0 0 "[ . ]" 1
249 2 11 DG H3' 2 11 DG H8 4.510 3.910 5.110 4.903 4.859 4.941 . 0 0 "[ . ]" 1
250 2 11 DG H4' 2 11 DG H8 5.720 4.820 6.620 4.975 4.931 5.065 . 0 0 "[ . ]" 1
251 2 10 DC H4' 2 11 DG H8 5.360 4.460 6.260 5.601 5.453 5.777 . 0 0 "[ . ]" 1
252 2 10 DC H5 2 11 DG H8 6.250 5.350 7.150 6.012 5.848 6.157 . 0 0 "[ . ]" 1
253 2 10 DC H2' 2 11 DG H8 3.040 2.440 3.640 3.645 3.641 3.650 0.010 1 0 "[ . ]" 1
254 2 11 DG H2' 2 11 DG H8 2.720 2.120 3.320 2.501 2.409 2.576 . 0 0 "[ . ]" 1
255 2 11 DG H1' 2 11 DG H2'' 2.300 . 2.900 2.409 2.407 2.413 . 0 0 "[ . ]" 1
256 2 11 DG H1' 2 11 DG H2' 2.800 2.200 3.400 3.050 3.047 3.051 . 0 0 "[ . ]" 1
257 2 11 DG H1' 2 11 DG H3' 4.720 3.820 5.620 3.804 3.803 3.805 0.017 3 0 "[ . ]" 1
258 2 11 DG H1' 2 11 DG H4' 4.230 3.330 5.130 3.329 3.326 3.336 0.004 6 0 "[ . ]" 1
259 2 11 DG H2' 2 11 DG H3' 2.420 . 3.020 2.594 2.591 2.596 . 0 0 "[ . ]" 1
260 2 11 DG H2'' 2 11 DG H3' 4.210 2.710 5.710 2.970 2.969 2.971 . 0 0 "[ . ]" 1
261 2 11 DG H3' 2 11 DG H4' 3.570 2.670 4.470 2.661 2.661 2.662 0.009 2 0 "[ . ]" 1
262 1 1 DC H5 1 1 DC H6 3.080 2.480 3.680 2.452 2.451 2.454 0.029 3 0 "[ . ]" 1
263 1 4 DA H8 1 5 DC H5 4.500 3.000 6.000 3.894 3.631 4.189 . 0 0 "[ . ]" 1
264 2 9 DA H8 2 10 DC H5 4.500 3.000 6.000 3.795 3.719 3.891 . 0 0 "[ . ]" 1
265 1 4 DA H3' 1 4 DA H8 4.610 3.110 6.110 4.534 4.483 4.569 . 0 0 "[ . ]" 1
266 2 9 DA H3' 2 9 DA H8 4.610 3.110 6.110 4.635 4.592 4.661 . 0 0 "[ . ]" 1
267 1 4 DA H5' 1 4 DA H8 4.330 3.430 5.230 4.720 4.650 4.781 . 0 0 "[ . ]" 1
268 2 9 DA H5' 2 9 DA H8 4.330 3.430 5.230 4.381 4.214 4.535 . 0 0 "[ . ]" 1
269 1 4 DA H2'' 1 4 DA H8 3.850 2.350 5.350 3.559 3.530 3.595 . 0 0 "[ . ]" 1
270 2 9 DA H2'' 2 9 DA H8 3.850 2.350 5.350 3.580 3.527 3.631 . 0 0 "[ . ]" 1
271 1 4 DA H2' 1 4 DA H8 2.600 . 4.100 2.225 2.193 2.254 . 0 0 "[ . ]" 1
272 2 9 DA H2' 2 9 DA H8 2.600 . 4.100 2.206 2.176 2.224 . 0 0 "[ . ]" 1
273 1 3 DT H2'' 1 4 DA H8 3.930 2.430 5.430 3.224 3.054 3.372 . 0 0 "[ . ]" 1
274 2 8 DT H2'' 2 9 DA H8 3.930 2.430 5.430 2.725 2.660 2.843 . 0 0 "[ . ]" 1
275 1 3 DT H2' 1 4 DA H8 3.640 2.140 5.140 4.812 4.629 4.928 . 0 0 "[ . ]" 1
276 2 8 DT H2' 2 9 DA H8 3.640 2.140 5.140 4.192 4.121 4.280 . 0 0 "[ . ]" 1
277 1 7 DC H2' 1 7 DC H3' 3.670 2.170 5.170 2.404 2.386 2.432 . 0 0 "[ . ]" 1
278 2 2 DC H2' 2 2 DC H3' 3.670 2.170 5.170 2.416 2.409 2.425 . 0 0 "[ . ]" 1
279 1 4 DA H1' 1 4 DA H2' 3.690 2.190 5.190 3.024 3.020 3.029 . 0 0 "[ . ]" 1
280 2 9 DA H1' 2 9 DA H2' 3.690 2.190 5.190 3.017 3.013 3.020 . 0 0 "[ . ]" 1
281 1 2 DG H1' 1 2 DG H2' 2.470 . 3.970 3.107 3.105 3.108 . 0 0 "[ . ]" 1
282 2 1 DG H1' 2 1 DG H2' 2.470 . 3.970 2.969 2.961 2.975 . 0 0 "[ . ]" 1
283 1 4 DA H1' 1 4 DA H2'' 3.060 . 4.560 2.386 2.370 2.409 . 0 0 "[ . ]" 1
284 2 9 DA H1' 2 9 DA H2'' 3.060 . 4.560 2.459 2.456 2.462 . 0 0 "[ . ]" 1
285 1 4 DA H2'' 1 5 DC H5 3.790 2.890 4.690 3.695 3.421 3.882 . 0 0 "[ . ]" 1
286 2 9 DA H2'' 2 10 DC H5 3.790 2.890 4.690 2.954 2.884 3.297 0.006 5 0 "[ . ]" 1
287 1 3 DT H6 1 3 DT M7 3.000 . 4.500 2.375 2.362 2.385 . 0 0 "[ . ]" 1
288 1 8 DA H8 1 9 DT M7 2.800 . 4.300 2.520 2.503 2.544 . 0 0 "[ . ]" 1
289 1 9 DT H6 1 9 DT M7 3.000 . 4.500 2.383 2.368 2.394 . 0 0 "[ . ]" 1
290 2 4 DT H6 2 4 DT M7 2.940 . 4.440 2.330 2.306 2.340 . 0 0 "[ . ]" 1
291 1 2 DG H8 1 3 DT M7 3.100 . 4.600 3.009 2.936 3.049 . 0 0 "[ . ]" 1
292 2 6 DA H2'' 2 7 DG H8 2.060 . 3.560 2.386 2.311 2.501 . 0 0 "[ . ]" 1
293 2 7 DG H8 2 8 DT M7 3.100 2.520 4.600 2.757 2.704 2.825 . 0 0 "[ . ]" 1
294 2 8 DT H6 2 8 DT M7 3.400 2.200 4.900 2.330 2.325 2.337 . 0 0 "[ . ]" 1
295 1 10 DG H2'' 1 10 DG H8 3.700 2.200 5.200 4.145 4.079 4.251 . 0 0 "[ . ]" 1
296 2 11 DG H2'' 2 11 DG H8 3.700 2.200 5.200 3.686 3.547 3.774 . 0 0 "[ . ]" 1
297 2 8 DT H2' 2 8 DT M7 4.700 3.200 6.200 3.816 3.807 3.823 . 0 0 "[ . ]" 1
298 1 3 DT H2'' 1 3 DT M7 6.550 5.050 8.050 4.880 4.868 4.891 0.182 7 0 "[ . ]" 1
299 1 2 DG H1' 1 2 DG H5' 5.290 3.790 6.790 4.643 4.625 4.667 . 0 0 "[ . ]" 1
300 2 1 DG H1' 2 1 DG H4' 4.690 3.190 6.190 3.463 3.462 3.464 . 0 0 "[ . ]" 1
301 1 2 DG H1' 1 2 DG H2'' 2.510 . 4.010 2.546 2.538 2.550 . 0 0 "[ . ]" 1
302 2 1 DG H1' 2 1 DG H2'' 2.510 . 4.010 2.344 2.336 2.349 . 0 0 "[ . ]" 1
303 1 3 DT H2'' 1 3 DT H3' 3.740 2.240 5.240 2.820 2.806 2.826 . 0 0 "[ . ]" 1
304 2 5 DG H2'' 2 5 DG H3' 3.740 2.240 5.240 2.722 2.718 2.725 . 0 0 "[ . ]" 1
305 1 8 DA H1' 1 8 DA H3' 4.560 3.060 6.060 3.874 3.860 3.886 . 0 0 "[ . ]" 1
306 2 9 DA H1' 2 10 DC H1' 4.980 4.080 5.880 5.213 5.112 5.306 . 0 0 "[ . ]" 1
307 1 5 DC H1' 1 5 DC H2'' 2.170 . 3.670 2.369 2.353 2.379 . 0 0 "[ . ]" 1
308 1 5 DC H1' 1 5 DC H2' 2.170 . 3.670 3.021 3.010 3.032 . 0 0 "[ . ]" 1
309 2 4 DT H2' 2 4 DT M7 4.400 2.900 5.900 3.902 3.884 3.927 . 0 0 "[ . ]" 1
310 2 4 DT H1' 2 4 DT M7 6.540 5.640 7.440 5.205 5.194 5.219 0.446 3 0 "[ . ]" 1
311 2 4 DT H3' 2 4 DT M7 6.970 5.470 8.470 5.817 5.774 5.877 . 0 0 "[ . ]" 1
312 2 8 DT H1' 2 8 DT M7 6.380 4.880 7.880 5.154 5.151 5.159 . 0 0 "[ . ]" 1
313 2 8 DT H3' 2 8 DT M7 6.280 4.780 7.780 5.699 5.695 5.708 . 0 0 "[ . ]" 1
314 2 7 DG H2'' 2 8 DT M7 3.550 2.050 5.050 2.291 2.173 2.395 . 0 0 "[ . ]" 1
315 2 7 DG H2' 2 8 DT M7 3.640 2.140 5.140 2.369 2.323 2.402 . 0 0 "[ . ]" 1
316 2 8 DT H2'' 2 8 DT M7 6.140 4.640 7.640 4.593 4.579 4.603 0.061 4 0 "[ . ]" 1
317 2 4 DT H4' 2 4 DT M7 7.050 5.550 8.550 6.118 6.094 6.134 . 0 0 "[ . ]" 1
318 2 4 DT H5' 2 4 DT M7 5.260 3.760 6.760 4.969 4.932 5.009 . 0 0 "[ . ]" 1
319 2 4 DT H2'' 2 4 DT M7 5.610 4.110 7.110 4.813 4.774 4.863 . 0 0 "[ . ]" 1
320 1 2 DG H1' 1 3 DT M7 4.510 3.010 6.010 3.642 3.602 3.695 . 0 0 "[ . ]" 1
321 1 8 DA H2 1 9 DT M7 7.080 5.580 8.580 5.425 5.355 5.498 0.225 9 0 "[ . ]" 1
322 1 2 DG H3' 1 3 DT M7 6.830 5.330 8.330 4.743 4.709 4.810 0.621 8 9 [*****-*+*] 1
323 2 3 DA H2 2 4 DT M7 7.380 5.880 8.880 5.060 5.031 5.081 0.849 4 9 [-**+*****] 1
324 1 10 DG H2' 1 10 DG H4' 5.330 3.830 6.830 3.806 3.805 3.806 0.025 2 0 "[ . ]" 1
325 2 7 DG H2' 2 7 DG H4' 5.330 3.630 7.030 3.627 3.624 3.628 0.006 9 0 "[ . ]" 1
326 1 10 DG H2'' 1 10 DG H4' 3.860 2.360 5.360 4.299 4.289 4.305 . 0 0 "[ . ]" 1
327 2 7 DG H2'' 2 7 DG H4' 3.860 2.360 5.360 4.205 4.200 4.212 . 0 0 "[ . ]" 1
328 1 4 DA H1' 1 4 DA H8 4.120 2.620 5.620 3.917 3.913 3.923 . 0 0 "[ . ]" 1
329 2 9 DA H1' 2 9 DA H8 4.120 2.620 5.620 3.925 3.921 3.928 . 0 0 "[ . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 26
_Distance_constraint_stats_list.Viol_count 41
_Distance_constraint_stats_list.Viol_total 0.620
_Distance_constraint_stats_list.Viol_max 0.007
_Distance_constraint_stats_list.Viol_rms 0.0010
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0017
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 DG 0.000 0.000 . 0 "[ . ]"
1 3 DT 0.052 0.007 8 0 "[ . ]"
1 4 DA 0.001 0.001 5 0 "[ . ]"
1 5 DC 0.000 0.000 . 0 "[ . ]"
1 7 DC 0.004 0.002 3 0 "[ . ]"
1 8 DA 0.007 0.001 9 0 "[ . ]"
1 9 DT 0.002 0.001 5 0 "[ . ]"
1 10 DG 0.002 0.001 1 0 "[ . ]"
1 11 DC 0.001 0.000 1 0 "[ . ]"
2 1 DG 0.001 0.000 1 0 "[ . ]"
2 2 DC 0.002 0.001 1 0 "[ . ]"
2 3 DA 0.002 0.001 5 0 "[ . ]"
2 4 DT 0.007 0.001 9 0 "[ . ]"
2 5 DG 0.004 0.002 3 0 "[ . ]"
2 7 DG 0.000 0.000 . 0 "[ . ]"
2 8 DT 0.001 0.001 5 0 "[ . ]"
2 9 DA 0.052 0.007 8 0 "[ . ]"
2 10 DC 0.000 0.000 . 0 "[ . ]"
2 11 DG 0.000 0.000 . 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 N3 2 11 DG H1 1.940 . 2.040 1.966 1.961 1.969 . 0 0 "[ . ]" 2
2 1 1 DC H41 2 11 DG O6 1.900 . 2.000 1.889 1.868 1.910 . 0 0 "[ . ]" 2
3 1 1 DC O2 2 11 DG H21 1.840 . 1.940 1.801 1.778 1.830 . 0 0 "[ . ]" 2
4 1 2 DG H1 2 10 DC N3 1.940 . 2.240 1.938 1.911 1.966 . 0 0 "[ . ]" 2
5 1 2 DG O6 2 10 DC H41 1.900 . 2.300 1.915 1.860 1.990 . 0 0 "[ . ]" 2
6 1 2 DG H21 2 10 DC O2 1.840 . 2.140 1.750 1.741 1.778 . 0 0 "[ . ]" 2
7 1 3 DT H3 2 9 DA N1 1.810 . 1.910 1.915 1.913 1.917 0.007 8 0 "[ . ]" 2
8 1 3 DT O4 2 9 DA H61 1.840 . 1.940 1.739 1.738 1.740 0.002 9 0 "[ . ]" 2
9 1 4 DA N1 2 8 DT H3 1.810 . 1.910 1.890 1.846 1.911 0.001 5 0 "[ . ]" 2
10 1 4 DA H61 2 8 DT O4 1.840 . 1.940 1.841 1.793 1.877 . 0 0 "[ . ]" 2
11 1 5 DC N3 2 7 DG H1 1.940 . 2.040 1.974 1.956 1.991 . 0 0 "[ . ]" 2
12 1 5 DC O2 2 7 DG H21 1.840 . 1.940 1.797 1.780 1.818 . 0 0 "[ . ]" 2
13 1 5 DC H41 2 7 DG O6 1.900 . 2.000 1.946 1.893 1.970 . 0 0 "[ . ]" 2
14 1 7 DC N3 2 5 DG H1 1.940 . 2.040 1.931 1.893 1.949 . 0 0 "[ . ]" 2
15 1 7 DC H41 2 5 DG O6 1.900 . 2.000 1.981 1.899 2.002 0.002 3 0 "[ . ]" 2
16 1 7 DC O2 2 5 DG H21 1.840 . 1.940 1.831 1.793 1.876 . 0 0 "[ . ]" 2
17 1 8 DA N1 2 4 DT H3 1.810 . 1.910 1.905 1.884 1.911 0.001 9 0 "[ . ]" 2
18 1 8 DA H61 2 4 DT O4 1.840 . 1.940 1.791 1.742 1.858 . 0 0 "[ . ]" 2
19 1 9 DT H3 2 3 DA N1 1.810 . 1.910 1.898 1.860 1.911 0.001 5 0 "[ . ]" 2
20 1 9 DT O4 2 3 DA H61 1.840 . 1.940 1.764 1.742 1.782 . 0 0 "[ . ]" 2
21 1 10 DG H1 2 2 DC N3 1.940 . 2.240 1.936 1.921 1.952 . 0 0 "[ . ]" 2
22 1 10 DG O6 2 2 DC H41 1.900 . 2.300 1.915 1.883 1.968 . 0 0 "[ . ]" 2
23 1 10 DG H21 2 2 DC O2 1.840 . 2.140 1.751 1.739 1.773 0.001 1 0 "[ . ]" 2
24 1 11 DC N3 2 1 DG H1 1.940 . 2.040 2.019 2.005 2.031 . 0 0 "[ . ]" 2
25 1 11 DC H41 2 1 DG O6 1.900 . 2.000 1.878 1.860 1.897 . 0 0 "[ . ]" 2
26 1 11 DC O2 2 1 DG H21 1.840 . 1.940 1.918 1.872 1.940 0.000 1 0 "[ . ]" 2
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