NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
607591 |
2n9f   |
25903 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n9f
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 168
_Distance_constraint_stats_list.Viol_count 1358
_Distance_constraint_stats_list.Viol_total 12692.882
_Distance_constraint_stats_list.Viol_max 2.838
_Distance_constraint_stats_list.Viol_rms 0.6998
_Distance_constraint_stats_list.Viol_average_all_restraints 0.7555
_Distance_constraint_stats_list.Viol_average_violations_only 0.9347
_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 126.235 2.838 2 10 [-+********]
1 2 DT 81.766 1.901 7 10 [*-****+***]
1 3 DA 89.077 2.453 2 10 [*+****-***]
1 4 DG 101.721 2.519 1 10 [+*****-***]
1 5 DC 93.347 2.519 1 10 [+***-*****]
1 6 DG 2.210 0.403 5 0 "[ . 1]"
1 7 DG 37.764 1.476 2 10 [*+*****-**]
1 8 DT 76.311 2.115 2 10 [*+********]
1 9 DC 113.790 2.324 10 10 [*******-*+]
1 10 DA 89.611 1.838 5 10 [**-*+*****]
1 11 DT 105.121 1.838 5 10 [**-*+*****]
1 12 DC 58.769 1.278 8 10 [******-+**]
2 1 DG 59.110 2.331 1 10 [+-********]
2 2 DA 89.169 2.514 10 10 [***-*****+]
2 3 DT 104.709 2.514 10 10 [**-******+]
2 4 DG 72.907 2.401 9 10 [********+-]
2 5 DA 83.025 2.401 9 10 [********+-]
2 6 DC 66.707 2.392 1 10 [+******-**]
2 8 DG 91.486 2.489 2 10 [*+**-*****]
2 9 DC 119.591 2.489 2 10 [*+****-***]
2 10 DT 63.908 1.891 10 10 [******-**+]
2 11 DA 44.403 1.979 4 10 [***+**-***]
2 12 DG 52.765 1.667 2 10 [*+****-***]
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 Q2' . . 1.890 2.160 2.155 2.170 0.280 2 0 "[ . 1]" 1
2 1 1 DC H1' 1 1 DC H6 . . 2.490 3.537 3.533 3.543 1.053 8 10 [****-**+**] 1
3 1 1 DC H1' 1 2 DT H6 . . 2.280 3.321 3.259 3.364 1.084 4 10 [***+*****-] 1
4 1 1 DC Q2' 1 1 DC H5 . . 1.940 3.892 3.867 3.920 1.980 9 10 [******-*+*] 1
5 1 1 DC Q2' 1 1 DC H6 . . 2.200 2.063 2.046 2.072 . 0 0 "[ . 1]" 1
6 1 1 DC Q2' 1 2 DT H6 . . 2.370 2.148 2.134 2.163 . 0 0 "[ . 1]" 1
7 1 1 DC H3' 1 1 DC H6 . . 2.690 3.733 3.710 3.759 1.069 9 10 [-*******+*] 1
8 1 1 DC H3' 1 2 DT H6 . . 3.630 4.663 4.648 4.680 1.050 2 10 [*+****-***] 1
9 1 1 DC H4' 1 1 DC H6 . . 2.580 4.142 4.124 4.162 1.582 10 10 [*-*******+] 1
10 1 1 DC H5 1 1 DC Q5' . . 2.220 4.684 4.126 5.058 2.838 2 10 [*+****-***] 1
11 1 1 DC Q5' 1 1 DC H6 . . 2.100 2.658 2.014 3.090 0.990 2 6 "[-+**** 1]" 1
12 1 1 DC H6 1 2 DT H6 . . 3.550 5.189 5.174 5.199 1.649 4 10 [***+***-**] 1
13 1 2 DT H1' 1 2 DT Q2' . . 2.140 2.253 2.241 2.264 0.124 3 0 "[ . 1]" 1
14 1 2 DT H1' 1 2 DT H6 . . 1.800 3.693 3.683 3.701 1.901 7 10 [******+-**] 1
15 1 2 DT H1' 1 3 DA H8 . . 2.650 3.298 3.287 3.323 0.673 4 10 [*-*+******] 1
16 1 2 DT Q2' 1 2 DT H6 . . 1.880 2.074 2.060 2.092 0.212 2 0 "[ . 1]" 1
17 1 2 DT Q2' 1 3 DA H8 . . 2.480 2.390 2.362 2.432 . 0 0 "[ . 1]" 1
18 1 2 DT H5' 1 2 DT H6 . . 3.550 3.709 3.656 3.760 0.210 3 0 "[ . 1]" 1
19 1 2 DT H6 1 3 DA H8 . . 2.810 4.268 4.190 4.329 1.519 1 10 [+*******-*] 1
20 1 3 DA H1' 1 3 DA H2 . . 2.870 4.516 4.490 4.541 1.671 4 10 [**-+******] 1
21 1 3 DA H1' 1 3 DA H8 . . 3.620 3.859 3.848 3.868 0.248 6 0 "[ . 1]" 1
22 1 3 DA H4' 1 3 DA H8 . . 4.260 4.787 4.768 4.811 0.551 6 10 [*****+-***] 1
23 1 3 DA Q5' 1 3 DA H8 . . 2.010 4.409 4.323 4.463 2.453 2 10 [*+*-******] 1
24 1 3 DA H8 1 4 DG H8 . . 2.560 4.552 4.480 4.595 2.035 10 10 [*****-***+] 1
25 1 4 DG H1 2 8 DG H1 . . 1.800 3.307 3.211 3.417 1.617 4 10 [-**+******] 1
26 1 4 DG H1 2 9 DC Q4 . . 1.800 2.263 2.208 2.321 0.521 7 1 "[ . + 1]" 1
27 1 4 DG H1' 1 4 DG Q2' . . 2.480 2.265 2.238 2.278 . 0 0 "[ . 1]" 1
28 1 4 DG H1' 1 4 DG H8 . . 3.130 3.901 3.890 3.909 0.779 10 10 [***-*****+] 1
29 1 4 DG H1' 1 5 DC H5 . . 3.550 4.824 4.638 4.951 1.401 7 10 [***-**+***] 1
30 1 4 DG H1' 1 5 DC H6 . . 3.810 4.043 3.867 4.241 0.431 7 0 "[ . 1]" 1
31 1 4 DG Q2' 1 4 DG H8 . . 1.820 2.593 2.499 2.742 0.922 2 10 [*+*-******] 1
32 1 4 DG Q2' 1 5 DC H5 . . 2.810 3.113 2.936 3.341 0.531 6 1 "[ .+ 1]" 1
33 1 4 DG Q2' 1 5 DC H6 . . 3.250 2.312 2.203 2.435 . 0 0 "[ . 1]" 1
34 1 4 DG H8 1 5 DC H5 . . 3.780 4.352 4.154 4.660 0.880 2 7 "[*+* * -**]" 1
35 1 4 DG H8 1 5 DC H6 . . 3.120 5.405 5.103 5.639 2.519 1 10 [+****-****] 1
36 1 5 DC H1' 1 5 DC Q2' . . 2.320 2.245 2.216 2.280 . 0 0 "[ . 1]" 1
37 1 5 DC H1' 1 5 DC H6 . . 2.800 3.578 3.560 3.593 0.793 10 10 [*-*******+] 1
38 1 5 DC Q2' 1 5 DC H5 . . 2.960 4.044 4.014 4.087 1.127 4 10 [***+***-**] 1
39 1 5 DC Q2' 1 5 DC H6 . . 2.320 2.196 2.152 2.251 . 0 0 "[ . 1]" 1
40 1 5 DC Q2' 1 6 DG H8 . . 2.870 2.960 2.624 3.273 0.403 5 0 "[ . 1]" 1
41 1 5 DC H3' 1 5 DC H6 . . 2.610 3.486 3.149 3.835 1.225 5 10 [-***+*****] 1
42 1 5 DC H4' 1 5 DC H6 . . 3.160 4.395 4.275 4.500 1.340 10 10 [-********+] 1
43 1 5 DC Q4 2 8 DG H1 . . 1.800 2.338 2.213 2.418 0.618 9 8 "[ * *-***+*]" 1
44 1 6 DG H1' 1 6 DG Q2' . . 2.660 2.217 2.158 2.302 . 0 0 "[ . 1]" 1
45 1 6 DG Q2' 1 6 DG H8 . . 2.620 2.565 2.376 2.879 0.259 7 0 "[ . 1]" 1
46 1 6 DG Q2' 1 7 DG H8 . . 3.580 2.923 2.411 3.428 . 0 0 "[ . 1]" 1
47 1 7 DG H1 2 6 DC Q4 . . 1.800 2.380 2.323 2.435 0.635 2 10 [*+*****-**] 1
48 1 7 DG H1' 1 7 DG Q2' . . 2.110 2.226 2.175 2.258 0.148 2 0 "[ . 1]" 1
49 1 7 DG H1' 1 7 DG H8 . . 2.330 3.770 3.733 3.806 1.476 2 10 [*+*****-**] 1
50 1 7 DG H1' 1 8 DT H6 . . 2.840 3.137 2.950 3.268 0.428 4 0 "[ . 1]" 1
51 1 7 DG Q2' 1 7 DG H8 . . 2.330 2.209 2.182 2.250 . 0 0 "[ . 1]" 1
52 1 7 DG Q2' 1 8 DT H6 . . 3.170 3.039 2.985 3.111 . 0 0 "[ . 1]" 1
53 1 7 DG H8 1 8 DT H6 . . 3.290 4.634 4.475 4.715 1.425 4 10 [***+**-***] 1
54 1 8 DT H1' 1 8 DT Q2' . . 1.810 2.296 2.283 2.316 0.506 3 2 "[ -+ . 1]" 1
55 1 8 DT H1' 1 8 DT H6 . . 2.600 3.623 3.611 3.630 1.030 5 10 [**-*+*****] 1
56 1 8 DT H1' 1 9 DC H5 . . 2.880 4.864 4.764 4.995 2.115 2 10 [-+********] 1
57 1 8 DT H1' 1 9 DC H6 . . 3.160 3.840 3.693 3.963 0.803 10 10 [**-******+] 1
58 1 8 DT Q2' 1 8 DT H6 . . 2.200 2.099 2.084 2.126 . 0 0 "[ . 1]" 1
59 1 8 DT Q2' 1 9 DC H6 . . 2.510 2.392 2.356 2.447 . 0 0 "[ . 1]" 1
60 1 8 DT H6 1 9 DC H5 . . 2.950 3.838 3.747 4.097 1.147 2 10 [*+****-***] 1
61 1 8 DT H6 1 9 DC H6 . . 3.740 4.669 4.543 4.761 1.021 2 10 [*+****-***] 1
62 1 9 DC H1' 1 9 DC Q2' . . 2.120 2.317 2.307 2.329 0.209 2 0 "[ . 1]" 1
63 1 9 DC H1' 1 9 DC H6 . . 3.070 3.722 3.715 3.730 0.660 2 10 [*+*******-] 1
64 1 9 DC H1' 1 10 DA H8 . . 3.060 3.914 3.866 3.959 0.899 9 10 [****-***+*] 1
65 1 9 DC Q2' 1 9 DC H5 . . 1.800 4.108 4.085 4.124 2.324 10 10 [****-****+] 1
66 1 9 DC Q2' 1 9 DC H6 . . 2.070 2.030 2.012 2.061 . 0 0 "[ . 1]" 1
67 1 9 DC Q2' 1 10 DA H8 . . 2.570 2.450 2.424 2.466 . 0 0 "[ . 1]" 1
68 1 9 DC H4' 1 9 DC H6 . . 3.340 4.844 4.771 4.889 1.549 10 10 [**-******+] 1
69 1 9 DC Q4 2 4 DG H1 . . 1.800 2.370 2.314 2.413 0.613 7 10 [******+-**] 1
70 1 9 DC H6 1 10 DA H8 . . 4.130 4.943 4.828 5.036 0.906 2 10 [*+******-*] 1
71 1 10 DA H1' 1 10 DA Q2' . . 2.100 2.231 2.224 2.237 0.137 6 0 "[ . 1]" 1
72 1 10 DA H1' 1 10 DA H8 . . 2.450 3.730 3.721 3.739 1.289 2 10 [*+*****-**] 1
73 1 10 DA H1' 1 11 DT Q2' . . 2.280 3.949 3.911 3.991 1.711 8 10 [****-**+**] 1
74 1 10 DA H1' 1 11 DT H6 . . 2.310 2.675 2.652 2.694 0.384 8 0 "[ . 1]" 1
75 1 10 DA H2 1 11 DT H1' . . 3.420 4.000 3.868 4.162 0.742 8 8 "[**-*. *+**]" 1
76 1 10 DA H2 2 3 DT H3 . . 1.800 2.735 2.667 2.772 0.972 10 10 [*****-***+] 1
77 1 10 DA Q2' 1 10 DA H8 . . 2.130 2.070 2.060 2.083 . 0 0 "[ . 1]" 1
78 1 10 DA Q2' 1 11 DT H6 . . 2.400 2.433 2.388 2.486 0.086 3 0 "[ . 1]" 1
79 1 10 DA Q6 2 3 DT H3 . . 1.800 2.318 2.265 2.343 0.543 6 8 "[ -**+****]" 1
80 1 10 DA H8 1 11 DT H6 . . 2.690 4.471 4.399 4.528 1.838 5 10 [****+****-] 1
81 1 11 DT H1' 1 11 DT Q2' . . 1.840 2.299 2.281 2.305 0.465 5 0 "[ . 1]" 1
82 1 11 DT H1' 1 11 DT H6 . . 2.600 3.547 3.544 3.550 0.950 5 10 [**-*+*****] 1
83 1 11 DT H1' 1 12 DC H6 . . 2.840 3.718 3.567 3.857 1.017 7 10 [-*****+***] 1
84 1 11 DT Q2' 1 11 DT H6 . . 2.140 2.114 2.102 2.125 . 0 0 "[ . 1]" 1
85 1 11 DT Q2' 1 12 DC H6 . . 2.470 2.349 2.330 2.382 . 0 0 "[ . 1]" 1
86 1 11 DT H3 2 2 DA H2 . . 1.800 2.753 2.690 2.798 0.998 8 10 [-******+**] 1
87 1 11 DT H4' 1 11 DT H6 . . 2.720 4.419 4.408 4.431 1.711 2 10 [*+-*******] 1
88 1 11 DT H6 1 12 DC H6 . . 4.060 5.205 5.038 5.338 1.278 8 10 [******-+**] 1
89 1 12 DC H1' 1 12 DC Q2' . . 2.620 2.271 2.258 2.278 . 0 0 "[ . 1]" 1
90 1 12 DC H1' 1 12 DC H6 . . 2.490 3.628 3.624 3.632 1.142 6 10 [*****+-***] 1
91 1 12 DC Q2' 1 12 DC H6 . . 1.780 2.266 2.222 2.290 0.510 2 3 "[ + . - *1]" 1
92 1 12 DC H3' 1 12 DC H6 . . 2.600 3.598 3.511 3.663 1.063 2 10 [*+******-*] 1
93 1 12 DC H4' 1 12 DC H6 . . 3.460 4.349 4.331 4.369 0.909 2 10 [-+********] 1
94 1 12 DC H5' 1 12 DC H6 . . 3.600 3.943 3.841 4.122 0.522 7 1 "[ . + 1]" 1
95 2 1 DG H1' 2 1 DG Q2' . . 2.110 2.199 2.191 2.210 0.100 2 0 "[ . 1]" 1
96 2 1 DG H1' 2 1 DG H8 . . 2.680 3.730 3.722 3.733 1.053 1 10 [+-********] 1
97 2 1 DG H1' 2 2 DA H8 . . 2.840 3.020 2.950 3.076 0.236 5 0 "[ . 1]" 1
98 2 1 DG Q2' 2 1 DG H8 . . 1.900 2.084 2.055 2.115 0.215 2 0 "[ . 1]" 1
99 2 1 DG Q2' 2 2 DA H8 . . 1.950 2.091 2.046 2.112 0.162 5 0 "[ . 1]" 1
100 2 1 DG H4' 2 1 DG H8 . . 2.230 4.552 4.538 4.561 2.331 1 10 [+*******-*] 1
101 2 1 DG H5' 2 1 DG H8 . . 3.270 2.281 2.066 3.648 0.378 2 0 "[ . 1]" 1
102 2 1 DG H8 2 2 DA H8 . . 2.710 4.617 4.589 4.654 1.944 2 10 [*+-*******] 1
103 2 2 DA H1' 2 2 DA Q2' . . 2.070 2.295 2.282 2.308 0.238 4 0 "[ . 1]" 1
104 2 2 DA H1' 2 2 DA H8 . . 2.800 3.742 3.727 3.747 0.947 9 10 [**-*****+*] 1
105 2 2 DA H1' 2 3 DT H6 . . 2.410 3.142 3.050 3.221 0.811 9 10 [*****-**+*] 1
106 2 2 DA Q2' 2 2 DA H8 . . 2.140 2.105 2.092 2.137 . 0 0 "[ . 1]" 1
107 2 2 DA Q2' 2 3 DT H6 . . 2.160 2.260 2.208 2.309 0.149 5 0 "[ . 1]" 1
108 2 2 DA H4' 2 2 DA H8 . . 3.870 4.686 4.675 4.696 0.826 9 10 [**-*****+*] 1
109 2 2 DA H5' 2 2 DA H8 . . 3.610 4.047 3.980 4.112 0.502 4 1 "[ +. 1]" 1
110 2 2 DA H8 2 3 DT H6 . . 2.220 4.704 4.650 4.734 2.514 10 10 [-********+] 1
111 2 3 DT H1' 2 3 DT Q2' . . 2.180 2.274 2.233 2.295 0.115 5 0 "[ . 1]" 1
112 2 3 DT H1' 2 3 DT H6 . . 2.550 3.679 3.671 3.687 1.137 2 10 [*+**-*****] 1
113 2 3 DT H1' 2 4 DG H8 . . 3.240 4.305 4.197 4.425 1.185 9 10 [******-*+*] 1
114 2 3 DT Q2' 2 3 DT H6 . . 2.160 2.299 2.253 2.332 0.172 9 0 "[ . 1]" 1
115 2 3 DT Q2' 2 4 DG H8 . . 2.350 2.316 2.263 2.362 0.012 3 0 "[ . 1]" 1
116 2 3 DT H4' 2 3 DT H6 . . 3.290 4.539 4.512 4.579 1.289 2 10 [*+*****-**] 1
117 2 3 DT H6 2 4 DG H8 . . 2.500 4.525 4.346 4.821 2.321 1 10 [+*-*******] 1
118 2 4 DG H1' 2 4 DG Q2' . . 2.640 2.400 2.385 2.404 . 0 0 "[ . 1]" 1
119 2 4 DG H1' 2 4 DG H8 . . 3.120 3.892 3.881 3.897 0.777 10 10 [-********+] 1
120 2 4 DG H1' 2 5 DA H8 . . 2.890 3.331 3.239 3.432 0.542 2 3 "[ + . * -]" 1
121 2 4 DG Q2' 2 4 DG H8 . . 2.450 2.337 2.287 2.356 . 0 0 "[ . 1]" 1
122 2 4 DG Q2' 2 5 DA H8 . . 2.180 2.405 2.327 2.581 0.401 2 0 "[ . 1]" 1
123 2 4 DG H8 2 5 DA H8 . . 2.620 4.812 4.593 5.021 2.401 9 10 [-*******+*] 1
124 2 5 DA H1' 2 5 DA H2 . . 3.460 4.471 4.422 4.512 1.052 2 10 [-+********] 1
125 2 5 DA H1' 2 5 DA Q2' . . 2.450 2.317 2.311 2.330 . 0 0 "[ . 1]" 1
126 2 5 DA H1' 2 5 DA H8 . . 2.790 3.818 3.814 3.822 1.032 1 10 [+*-*******] 1
127 2 5 DA H1' 2 6 DC H6 . . 3.070 3.405 3.340 3.477 0.407 10 0 "[ . 1]" 1
128 2 5 DA Q2' 2 5 DA H8 . . 2.000 2.265 2.210 2.301 0.301 6 0 "[ . 1]" 1
129 2 5 DA Q2' 2 6 DC H5 . . 3.830 3.626 3.505 3.726 . 0 0 "[ . 1]" 1
130 2 5 DA Q2' 2 6 DC H6 . . 2.050 2.371 2.278 2.449 0.399 6 0 "[ . 1]" 1
131 2 5 DA H8 2 6 DC H5 . . 3.650 3.875 3.775 4.008 0.358 6 0 "[ . 1]" 1
132 2 5 DA H8 2 6 DC H6 . . 2.170 4.430 4.306 4.562 2.392 1 10 [+********-] 1
133 2 6 DC H1' 2 6 DC Q2' . . 1.970 2.322 2.290 2.335 0.365 10 0 "[ . 1]" 1
134 2 6 DC H1' 2 6 DC H6 . . 2.820 3.600 3.589 3.612 0.792 5 10 [****+*-***] 1
135 2 6 DC Q2' 2 6 DC H5 . . 2.750 4.273 4.229 4.315 1.565 9 10 [****-***+*] 1
136 2 6 DC Q2' 2 6 DC H6 . . 2.070 2.367 2.244 2.440 0.370 9 0 "[ . 1]" 1
137 2 8 DG H1' 2 8 DG H8 . . 3.630 3.869 3.849 3.881 0.251 4 0 "[ . 1]" 1
138 2 8 DG Q2' 2 8 DG H8 . . 2.100 2.208 2.146 2.279 0.179 2 0 "[ . 1]" 1
139 2 8 DG Q2' 2 9 DC H5 . . 3.220 4.601 4.524 4.697 1.477 10 10 [**-******+] 1
140 2 8 DG Q2' 2 9 DC H6 . . 3.820 3.506 3.447 3.549 . 0 0 "[ . 1]" 1
141 2 8 DG H4' 2 8 DG H8 . . 4.400 5.019 4.997 5.058 0.658 10 10 [***-*****+] 1
142 2 8 DG Q5' 2 8 DG H8 . . 2.850 4.193 4.133 4.248 1.398 5 10 [*-**+*****] 1
143 2 8 DG H8 2 9 DC H5 . . 3.210 4.209 4.158 4.244 1.034 2 10 [*+*-******] 1
144 2 8 DG H8 2 9 DC H6 . . 2.070 4.484 4.383 4.559 2.489 2 10 [*+*******-] 1
145 2 9 DC H1' 2 9 DC Q2' . . 2.480 2.329 2.284 2.347 . 0 0 "[ . 1]" 1
146 2 9 DC H1' 2 9 DC H5 . . 3.130 5.193 5.142 5.252 2.122 1 10 [+*****-***] 1
147 2 9 DC H1' 2 9 DC H6 . . 2.410 3.502 3.442 3.582 1.172 1 10 [+*****-***] 1
148 2 9 DC H1' 2 10 DT H6 . . 2.640 3.131 2.631 3.646 1.006 1 5 "[+*- ** 1]" 1
149 2 9 DC Q2' 2 9 DC H5 . . 2.960 4.193 4.134 4.246 1.286 5 10 [****+****-] 1
150 2 9 DC Q2' 2 9 DC H6 . . 2.180 2.094 2.071 2.120 . 0 0 "[ . 1]" 1
151 2 9 DC Q2' 2 10 DT H6 . . 2.280 2.315 2.293 2.406 0.126 2 0 "[ . 1]" 1
152 2 9 DC H3' 2 9 DC H6 . . 2.610 4.397 4.222 4.486 1.876 4 10 [-**+******] 1
153 2 10 DT H1' 2 10 DT Q2' . . 2.030 2.320 2.302 2.339 0.309 8 0 "[ . 1]" 1
154 2 10 DT H1' 2 10 DT H6 . . 2.300 3.660 3.653 3.670 1.370 2 10 [-+********] 1
155 2 10 DT H1' 2 11 DA H8 . . 3.010 4.464 3.778 4.901 1.891 10 10 [***-*****+] 1
156 2 10 DT Q2' 2 10 DT H6 . . 2.150 2.086 2.052 2.123 . 0 0 "[ . 1]" 1
157 2 10 DT Q2' 2 11 DA H8 . . 2.520 2.753 2.474 2.961 0.441 10 0 "[ . 1]" 1
158 2 10 DT H4' 2 10 DT H6 . . 3.200 4.812 4.736 4.884 1.684 2 10 [*+-*******] 1
159 2 10 DT Q5' 2 10 DT H6 . . 3.730 4.213 4.053 4.323 0.593 9 5 "[ *. **+-]" 1
160 2 10 DT H6 2 11 DA H8 . . 3.750 4.177 3.888 4.804 1.054 4 3 "[ *+. - 1]" 1
161 2 11 DA H1' 2 11 DA H8 . . 1.860 3.774 3.728 3.839 1.979 4 10 [***+****-*] 1
162 2 11 DA H1' 2 12 DG H8 . . 2.450 2.856 2.690 3.099 0.649 3 3 "[ +*. - 1]" 1
163 2 12 DG H1' 2 12 DG Q2' . . 1.760 2.227 2.218 2.236 0.476 4 0 "[ . 1]" 1
164 2 12 DG H1' 2 12 DG H8 . . 2.530 3.769 3.763 3.775 1.245 8 10 [***-***+**] 1
165 2 12 DG Q2' 2 12 DG H8 . . 1.870 2.061 2.046 2.087 0.217 3 0 "[ . 1]" 1
166 2 12 DG H3' 2 12 DG H8 . . 2.570 3.899 3.848 3.932 1.362 2 10 [*+-*******] 1
167 2 12 DG H4' 2 12 DG H8 . . 3.000 4.643 4.620 4.667 1.667 2 10 [*+*****-**] 1
168 2 12 DG H5' 2 12 DG H8 . . 4.080 3.608 3.385 3.850 . 0 0 "[ . 1]" 1
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