NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
370793 |
1bzu   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bzu
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 77
_Distance_constraint_stats_list.Viol_total 6.057
_Distance_constraint_stats_list.Viol_max 2.466
_Distance_constraint_stats_list.Viol_rms 0.1611
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0249
_Distance_constraint_stats_list.Viol_average_violations_only 0.0787
_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 U 0.285 0.068 1 0 "[ ]"
1 2 C 0.178 0.042 1 0 "[ ]"
1 3 A 0.465 0.180 1 0 "[ ]"
1 4 G 0.098 0.032 1 0 "[ ]"
1 5 A 0.348 0.117 1 0 "[ ]"
1 6 C 0.243 0.057 1 0 "[ ]"
1 7 U 2.765 2.466 1 1 [+]
1 8 U 0.196 0.090 1 0 "[ ]"
1 9 U 0.505 0.242 1 0 "[ ]"
1 10 U 0.440 0.242 1 0 "[ ]"
1 11 A 0.666 0.199 1 0 "[ ]"
1 12 A 3.098 2.466 1 1 [+]
1 13 PSU 0.053 0.035 1 0 "[ ]"
1 14 C 0.056 0.036 1 0 "[ ]"
1 15 U 0.220 0.050 1 0 "[ ]"
1 16 G 0.138 0.047 1 0 "[ ]"
1 17 A 0.514 0.189 1 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 U H1' 1 1 U H4' . 3.200 3.600 3.171 3.171 3.171 0.029 1 0 "[ ]" 1
2 1 1 U H1' 1 1 U H6 . 3.200 3.600 3.668 3.668 3.668 0.068 1 0 "[ ]" 1
3 1 1 U H1' 1 2 C H6 . 4.500 19.000 5.110 5.110 5.110 . 0 0 "[ ]" 1
4 1 1 U H1' 1 17 A H2 . 3.800 4.200 4.268 4.268 4.268 0.068 1 0 "[ ]" 1
5 1 1 U H3 1 17 A N1 . . 2.000 2.037 2.037 2.037 0.037 1 0 "[ ]" 1
6 1 1 U H3' 1 2 C H6 . 2.500 3.700 3.732 3.732 3.732 0.032 1 0 "[ ]" 1
7 1 1 U O2 1 17 A H2 . 2.600 3.000 2.579 2.579 2.579 0.021 1 0 "[ ]" 1
8 1 1 U O4 1 17 A H61 . . 2.000 2.029 2.029 2.029 0.029 1 0 "[ ]" 1
9 1 2 C H1' 1 2 C H2' . 2.600 3.000 2.788 2.788 2.788 . 0 0 "[ ]" 1
10 1 2 C H1' 1 2 C H4' . 2.800 3.200 3.110 3.110 3.110 . 0 0 "[ ]" 1
11 1 2 C H1' 1 2 C H6 . 3.200 3.600 3.641 3.641 3.641 0.041 1 0 "[ ]" 1
12 1 2 C H1' 1 3 A H8 . 4.500 19.000 4.980 4.980 4.980 . 0 0 "[ ]" 1
13 1 2 C H1' 1 17 A H2 . 3.000 3.400 3.016 3.016 3.016 . 0 0 "[ ]" 1
14 1 2 C H2' 1 3 A H1' . 4.500 5.000 4.471 4.471 4.471 0.029 1 0 "[ ]" 1
15 1 2 C H2' 1 3 A H8 . 2.400 2.800 2.459 2.459 2.459 . 0 0 "[ ]" 1
16 1 2 C H3' 1 2 C H6 . 2.800 3.200 2.788 2.788 2.788 0.012 1 0 "[ ]" 1
17 1 2 C H3' 1 3 A H8 . 2.500 3.700 3.742 3.742 3.742 0.042 1 0 "[ ]" 1
18 1 2 C H41 1 16 G O6 . . 2.000 2.007 2.007 2.007 0.007 1 0 "[ ]" 1
19 1 2 C N3 1 16 G H1 . . 2.000 2.016 2.016 2.016 0.016 1 0 "[ ]" 1
20 1 2 C O2 1 16 G H21 . . 2.000 1.891 1.891 1.891 . 0 0 "[ ]" 1
21 1 3 A H1' 1 3 A H2 . 3.600 4.000 4.180 4.180 4.180 0.180 1 0 "[ ]" 1
22 1 3 A H1' 1 3 A H4' . 2.700 3.100 3.123 3.123 3.123 0.023 1 0 "[ ]" 1
23 1 3 A H1' 1 3 A H8 . 3.200 3.600 3.718 3.718 3.718 0.118 1 0 "[ ]" 1
24 1 3 A H1' 1 4 G H8 . 4.500 19.000 5.029 5.029 5.029 . 0 0 "[ ]" 1
25 1 3 A H2 1 4 G H1' . 2.800 3.200 3.210 3.210 3.210 0.010 1 0 "[ ]" 1
26 1 3 A H2 1 15 U O2 . 2.600 3.000 3.007 3.007 3.007 0.007 1 0 "[ ]" 1
27 1 3 A H2 1 16 G H1' . 2.900 3.300 3.305 3.305 3.305 0.005 1 0 "[ ]" 1
28 1 3 A H3' 1 4 G H8 . 2.500 3.700 3.732 3.732 3.732 0.032 1 0 "[ ]" 1
29 1 3 A H61 1 15 U O4 . . 2.000 1.941 1.941 1.941 . 0 0 "[ ]" 1
30 1 3 A N1 1 15 U H3 . . 2.000 2.021 2.021 2.021 0.021 1 0 "[ ]" 1
31 1 4 G H1 1 14 C N3 . . 2.000 1.853 1.853 1.853 . 0 0 "[ ]" 1
32 1 4 G H1' 1 4 G H2' . 2.500 2.900 2.738 2.738 2.738 . 0 0 "[ ]" 1
33 1 4 G H1' 1 4 G H4' . 2.900 3.300 3.278 3.278 3.278 . 0 0 "[ ]" 1
34 1 4 G H1' 1 4 G H8 . 3.400 3.800 3.807 3.807 3.807 0.007 1 0 "[ ]" 1
35 1 4 G H1' 1 5 A H8 . 4.500 19.000 4.891 4.891 4.891 . 0 0 "[ ]" 1
36 1 4 G H2' 1 5 A H8 . 2.300 2.700 2.523 2.523 2.523 . 0 0 "[ ]" 1
37 1 4 G H21 1 14 C O2 . . 2.000 1.928 1.928 1.928 . 0 0 "[ ]" 1
38 1 4 G H3' 1 4 G H8 . 3.000 3.400 2.983 2.983 2.983 0.017 1 0 "[ ]" 1
39 1 4 G H3' 1 5 A H8 . 3.100 3.500 3.532 3.532 3.532 0.032 1 0 "[ ]" 1
40 1 4 G O6 1 14 C H41 . . 2.000 1.881 1.881 1.881 . 0 0 "[ ]" 1
41 1 5 A H1' 1 5 A H2' . 2.600 3.000 2.791 2.791 2.791 . 0 0 "[ ]" 1
42 1 5 A H1' 1 5 A H8 . 3.100 3.500 3.617 3.617 3.617 0.117 1 0 "[ ]" 1
43 1 5 A H1' 1 6 C H6 . 4.500 19.000 5.185 5.185 5.185 . 0 0 "[ ]" 1
44 1 5 A H2 1 6 C H1' . 2.600 3.000 3.044 3.044 3.044 0.044 1 0 "[ ]" 1
45 1 5 A H2 1 14 C H1' . 2.600 3.000 3.020 3.020 3.020 0.020 1 0 "[ ]" 1
46 1 5 A H2' 1 5 A H8 . 2.900 3.300 3.399 3.399 3.399 0.099 1 0 "[ ]" 1
47 1 5 A H2' 1 6 C H6 . 2.400 2.800 2.463 2.463 2.463 . 0 0 "[ ]" 1
48 1 5 A H3' 1 6 C H5 . 3.000 3.400 3.437 3.437 3.437 0.037 1 0 "[ ]" 1
49 1 5 A H3' 1 6 C H6 . 2.500 3.700 3.153 3.153 3.153 . 0 0 "[ ]" 1
50 1 5 A H8 1 6 C H5 . 3.100 3.500 3.366 3.366 3.366 . 0 0 "[ ]" 1
51 1 6 C H1' 1 7 U H6 . 4.500 19.000 6.171 6.171 6.171 . 0 0 "[ ]" 1
52 1 6 C H1' 1 12 A H2 . 4.500 19.000 7.308 7.308 7.308 . 0 0 "[ ]" 1
53 1 6 C H2' 1 6 C H6 . 3.000 3.400 3.419 3.419 3.419 0.019 1 0 "[ ]" 1
54 1 6 C H2' 1 7 U H1' . 4.000 5.000 4.699 4.699 4.699 . 0 0 "[ ]" 1
55 1 6 C H2' 1 7 U H5 . 4.500 19.000 4.482 4.482 4.482 0.018 1 0 "[ ]" 1
56 1 6 C H2' 1 7 U H6 . 2.900 3.300 3.332 3.332 3.332 0.032 1 0 "[ ]" 1
57 1 6 C H2' 1 12 A H2 . 4.500 19.000 8.212 8.212 8.212 . 0 0 "[ ]" 1
58 1 6 C H3' 1 7 U H1' . 4.500 19.000 6.278 6.278 6.278 . 0 0 "[ ]" 1
59 1 6 C H3' 1 7 U H5 . 3.500 3.900 3.957 3.957 3.957 0.057 1 0 "[ ]" 1
60 1 6 C H3' 1 7 U H6 . 2.900 3.700 3.416 3.416 3.416 . 0 0 "[ ]" 1
61 1 6 C H4' 1 7 U H5 . 4.500 19.000 6.981 6.981 6.981 . 0 0 "[ ]" 1
62 1 6 C H5 1 7 U H6 . 4.500 19.000 6.064 6.064 6.064 . 0 0 "[ ]" 1
63 1 6 C H5' 1 7 U H5 . 4.500 19.000 7.209 7.209 7.209 . 0 0 "[ ]" 1
64 1 6 C H5'' 1 7 U H5 . 4.500 19.000 6.208 6.208 6.208 . 0 0 "[ ]" 1
65 1 6 C H6 1 7 U H5 . 4.500 19.000 4.465 4.465 4.465 0.035 1 0 "[ ]" 1
66 1 6 C H6 1 7 U H6 . 4.500 19.000 5.046 5.046 5.046 . 0 0 "[ ]" 1
67 1 7 U H1' 1 8 U H2' . 4.500 19.000 5.091 5.091 5.091 . 0 0 "[ ]" 1
68 1 7 U H1' 1 8 U H6 . 4.000 19.000 3.985 3.985 3.985 0.015 1 0 "[ ]" 1
69 1 7 U H1' 1 9 U H5 . 4.500 19.000 11.983 11.983 11.983 . 0 0 "[ ]" 1
70 1 7 U H1' 1 9 U H5' . 4.500 19.000 8.705 8.705 8.705 . 0 0 "[ ]" 1
71 1 7 U H1' 1 9 U H5'' . 4.500 19.000 9.318 9.318 9.318 . 0 0 "[ ]" 1
72 1 7 U H1' 1 11 A H2 . 4.500 19.000 7.325 7.325 7.325 . 0 0 "[ ]" 1
73 1 7 U H1' 1 12 A H2 . 4.500 6.500 8.966 8.966 8.966 2.466 1 1 [+] 1
74 1 7 U H2' 1 7 U H6 . 2.700 3.100 3.124 3.124 3.124 0.024 1 0 "[ ]" 1
75 1 7 U H2' 1 8 U H1' . 4.500 19.000 7.128 7.128 7.128 . 0 0 "[ ]" 1
76 1 7 U H2' 1 8 U H6 . 3.300 4.300 4.390 4.390 4.390 0.090 1 0 "[ ]" 1
77 1 7 U H2' 1 9 U H5 . 4.500 19.000 11.500 11.500 11.500 . 0 0 "[ ]" 1
78 1 7 U H2' 1 9 U H5' . 4.500 19.000 7.579 7.579 7.579 . 0 0 "[ ]" 1
79 1 7 U H2' 1 9 U H5'' . 4.500 19.000 7.819 7.819 7.819 . 0 0 "[ ]" 1
80 1 7 U H2' 1 9 U H6 . 3.500 19.000 9.429 9.429 9.429 . 0 0 "[ ]" 1
81 1 7 U H2' 1 10 U H6 . 4.500 19.000 9.740 9.740 9.740 . 0 0 "[ ]" 1
82 1 7 U H2' 1 11 A H2 . 4.500 19.000 9.991 9.991 9.991 . 0 0 "[ ]" 1
83 1 7 U H2' 1 11 A H8 . 4.500 19.000 8.171 8.171 8.171 . 0 0 "[ ]" 1
84 1 7 U H2' 1 12 A H2 . 4.500 19.000 11.527 11.527 11.527 . 0 0 "[ ]" 1
85 1 7 U H3' 1 8 U H1' . 4.500 19.000 8.471 8.471 8.471 . 0 0 "[ ]" 1
86 1 7 U H3' 1 8 U H6 . 4.500 19.000 5.529 5.529 5.529 . 0 0 "[ ]" 1
87 1 7 U H3' 1 9 U H5 . 4.500 19.000 13.423 13.423 13.423 . 0 0 "[ ]" 1
88 1 7 U H3' 1 9 U H6 . 3.500 19.000 11.506 11.506 11.506 . 0 0 "[ ]" 1
89 1 7 U H4' 1 8 U H5 . 4.000 19.000 4.090 4.090 4.090 . 0 0 "[ ]" 1
90 1 7 U H4' 1 8 U H6 . 3.200 4.200 4.227 4.227 4.227 0.027 1 0 "[ ]" 1
91 1 7 U H4' 1 9 U H5 . 4.500 19.000 13.147 13.147 13.147 . 0 0 "[ ]" 1
92 1 7 U H4' 1 12 A H2 . 4.500 19.000 8.318 8.318 8.318 . 0 0 "[ ]" 1
93 1 7 U H5 1 8 U H6 . 4.500 19.000 8.719 8.719 8.719 . 0 0 "[ ]" 1
94 1 7 U H5 1 9 U H5' . 4.500 19.000 11.208 11.208 11.208 . 0 0 "[ ]" 1
95 1 7 U H5 1 9 U H5'' . 4.500 19.000 10.937 10.937 10.937 . 0 0 "[ ]" 1
96 1 7 U H5 1 11 A H2 . 4.500 19.000 12.296 12.296 12.296 . 0 0 "[ ]" 1
97 1 7 U H5 1 12 A H2 . 4.500 19.000 12.434 12.434 12.434 . 0 0 "[ ]" 1
98 1 7 U H5' 1 8 U H5 . 4.500 19.000 6.291 6.291 6.291 . 0 0 "[ ]" 1
99 1 7 U H5' 1 8 U H6 . 4.500 19.000 6.716 6.716 6.716 . 0 0 "[ ]" 1
100 1 7 U H5' 1 11 A H8 . 4.500 19.000 9.931 9.931 9.931 . 0 0 "[ ]" 1
101 1 7 U H5' 1 12 A H2 . 4.500 19.000 7.773 7.773 7.773 . 0 0 "[ ]" 1
102 1 7 U H5'' 1 8 U H5 . 4.500 19.000 6.553 6.553 6.553 . 0 0 "[ ]" 1
103 1 7 U H5'' 1 8 U H6 . 4.500 19.000 6.413 6.413 6.413 . 0 0 "[ ]" 1
104 1 7 U H5'' 1 11 A H8 . 4.500 19.000 10.794 10.794 10.794 . 0 0 "[ ]" 1
105 1 7 U H5'' 1 12 A H2 . 4.500 19.000 9.276 9.276 9.276 . 0 0 "[ ]" 1
106 1 7 U H6 1 8 U H5 . 4.500 19.000 7.377 7.377 7.377 . 0 0 "[ ]" 1
107 1 7 U H6 1 11 A H2 . 4.500 19.000 10.503 10.503 10.503 . 0 0 "[ ]" 1
108 1 8 U H1' 1 9 U H2' . 4.500 19.000 5.650 5.650 5.650 . 0 0 "[ ]" 1
109 1 8 U H1' 1 9 U H3' . 4.500 19.000 4.852 4.852 4.852 . 0 0 "[ ]" 1
110 1 8 U H1' 1 9 U H5 . 4.500 19.000 5.935 5.935 5.935 . 0 0 "[ ]" 1
111 1 8 U H1' 1 9 U H5' . 4.500 19.000 4.737 4.737 4.737 . 0 0 "[ ]" 1
112 1 8 U H1' 1 9 U H5'' . 4.500 19.000 6.316 6.316 6.316 . 0 0 "[ ]" 1
113 1 8 U H1' 1 11 A H2 . 4.500 19.000 10.045 10.045 10.045 . 0 0 "[ ]" 1
114 1 8 U H2' 1 8 U H6 . 2.400 2.800 2.505 2.505 2.505 . 0 0 "[ ]" 1
115 1 8 U H2' 1 9 U H1' . 4.500 19.000 6.886 6.886 6.886 . 0 0 "[ ]" 1
116 1 8 U H2' 1 9 U H6 . 4.500 19.000 5.141 5.141 5.141 . 0 0 "[ ]" 1
117 1 8 U H2' 1 10 U H6 . 4.500 19.000 6.238 6.238 6.238 . 0 0 "[ ]" 1
118 1 8 U H2' 1 11 A H2 . 4.500 19.000 9.099 9.099 9.099 . 0 0 "[ ]" 1
119 1 8 U H3' 1 8 U H6 . 2.600 3.000 3.064 3.064 3.064 0.064 1 0 "[ ]" 1
120 1 8 U H3' 1 9 U H5 . 4.500 19.000 8.109 8.109 8.109 . 0 0 "[ ]" 1
121 1 8 U H3' 1 9 U H6 . 4.500 19.000 6.276 6.276 6.276 . 0 0 "[ ]" 1
122 1 8 U H3' 1 11 A H2 . 4.500 19.000 10.389 10.389 10.389 . 0 0 "[ ]" 1
123 1 8 U H4' 1 9 U H5 . 4.500 19.000 7.579 7.579 7.579 . 0 0 "[ ]" 1
124 1 8 U H4' 1 9 U H6 . 4.500 19.000 6.565 6.565 6.565 . 0 0 "[ ]" 1
125 1 8 U H4' 1 11 A H2 . 4.500 19.000 11.588 11.588 11.588 . 0 0 "[ ]" 1
126 1 8 U H5 1 9 U H6 . 4.500 19.000 9.019 9.019 9.019 . 0 0 "[ ]" 1
127 1 8 U H5 1 10 U H6 . 4.500 19.000 8.058 8.058 8.058 . 0 0 "[ ]" 1
128 1 8 U H5 1 11 A H2 . 4.500 19.000 5.125 5.125 5.125 . 0 0 "[ ]" 1
129 1 8 U H5 1 12 A H1' . 4.500 19.000 8.245 8.245 8.245 . 0 0 "[ ]" 1
130 1 8 U H5 1 12 A H2 . 4.500 19.000 8.337 8.337 8.337 . 0 0 "[ ]" 1
131 1 8 U H5' 1 9 U H5 . 4.500 19.000 9.971 9.971 9.971 . 0 0 "[ ]" 1
132 1 8 U H5' 1 9 U H6 . 4.500 19.000 8.753 8.753 8.753 . 0 0 "[ ]" 1
133 1 8 U H5' 1 11 A H2 . 4.500 19.000 10.110 10.110 10.110 . 0 0 "[ ]" 1
134 1 8 U H5'' 1 9 U H5 . 4.500 19.000 9.789 9.789 9.789 . 0 0 "[ ]" 1
135 1 8 U H5'' 1 9 U H6 . 4.500 19.000 8.618 8.618 8.618 . 0 0 "[ ]" 1
136 1 8 U H5'' 1 11 A H2 . 4.500 19.000 11.806 11.806 11.806 . 0 0 "[ ]" 1
137 1 8 U H6 1 9 U H5 . 4.500 19.000 9.008 9.008 9.008 . 0 0 "[ ]" 1
138 1 8 U H6 1 10 U H5 . 4.500 19.000 7.740 7.740 7.740 . 0 0 "[ ]" 1
139 1 8 U H6 1 11 A H2 . 4.500 19.000 7.524 7.524 7.524 . 0 0 "[ ]" 1
140 1 8 U H6 1 12 A H2 . 4.000 19.000 10.526 10.526 10.526 . 0 0 "[ ]" 1
141 1 9 U H1' 1 10 U H1' . 4.000 19.000 5.582 5.582 5.582 . 0 0 "[ ]" 1
142 1 9 U H1' 1 10 U H5 . 4.000 19.000 4.989 4.989 4.989 . 0 0 "[ ]" 1
143 1 9 U H1' 1 10 U H5' . 4.500 19.000 4.258 4.258 4.258 0.242 1 0 "[ ]" 1
144 1 9 U H1' 1 10 U H6 . 3.100 4.500 4.560 4.560 4.560 0.060 1 0 "[ ]" 1
145 1 9 U H1' 1 11 A H8 . 4.500 19.000 8.613 8.613 8.613 . 0 0 "[ ]" 1
146 1 9 U H2' 1 9 U H5 . 4.500 19.000 4.471 4.471 4.471 0.029 1 0 "[ ]" 1
147 1 9 U H2' 1 9 U H6 . 2.300 2.700 2.471 2.471 2.471 . 0 0 "[ ]" 1
148 1 9 U H2' 1 10 U H6 . 3.200 3.600 3.170 3.170 3.170 0.030 1 0 "[ ]" 1
149 1 9 U H2' 1 11 A H2 . 4.500 19.000 11.217 11.217 11.217 . 0 0 "[ ]" 1
150 1 9 U H2' 1 11 A H8 . 4.500 19.000 6.925 6.925 6.925 . 0 0 "[ ]" 1
151 1 9 U H3' 1 9 U H6 . 2.600 3.000 3.101 3.101 3.101 0.101 1 0 "[ ]" 1
152 1 9 U H3' 1 10 U H6 . 3.100 4.500 4.540 4.540 4.540 0.040 1 0 "[ ]" 1
153 1 9 U H3' 1 11 A H2 . 4.500 19.000 10.991 10.991 10.991 . 0 0 "[ ]" 1
154 1 9 U H4' 1 10 U H6 . 4.000 19.000 6.123 6.123 6.123 . 0 0 "[ ]" 1
155 1 9 U H4' 1 11 A H2 . 4.000 19.000 13.566 13.566 13.566 . 0 0 "[ ]" 1
156 1 9 U H5 1 10 U H5 . 4.000 19.000 5.384 5.384 5.384 . 0 0 "[ ]" 1
157 1 9 U H5 1 11 A H2 . 4.500 19.000 14.086 14.086 14.086 . 0 0 "[ ]" 1
158 1 9 U H5 1 12 A H1' . 4.500 19.000 16.795 16.795 16.795 . 0 0 "[ ]" 1
159 1 9 U H5' 1 10 U H6 . 4.500 19.000 6.719 6.719 6.719 . 0 0 "[ ]" 1
160 1 9 U H5' 1 11 A H8 . 4.500 19.000 9.390 9.390 9.390 . 0 0 "[ ]" 1
161 1 9 U H5'' 1 10 U H6 . 4.500 19.000 7.691 7.691 7.691 . 0 0 "[ ]" 1
162 1 9 U H5'' 1 11 A H8 . 4.500 19.000 10.290 10.290 10.290 . 0 0 "[ ]" 1
163 1 9 U H6 1 10 U H5 . 4.500 19.000 4.498 4.498 4.498 0.002 1 0 "[ ]" 1
164 1 9 U H6 1 10 U H6 . 4.500 19.000 5.567 5.567 5.567 . 0 0 "[ ]" 1
165 1 9 U H6 1 12 A H1' . 4.500 19.000 15.559 15.559 15.559 . 0 0 "[ ]" 1
166 1 10 U H1' 1 11 A H1' . 4.500 19.000 8.498 8.498 8.498 . 0 0 "[ ]" 1
167 1 10 U H1' 1 11 A H3' . 4.500 19.000 8.230 8.230 8.230 . 0 0 "[ ]" 1
168 1 10 U H1' 1 11 A H8 . 4.500 19.000 6.770 6.770 6.770 . 0 0 "[ ]" 1
169 1 10 U H2' 1 10 U H6 . 2.500 2.900 2.530 2.530 2.530 . 0 0 "[ ]" 1
170 1 10 U H2' 1 11 A H8 . 3.500 4.500 4.266 4.266 4.266 . 0 0 "[ ]" 1
171 1 10 U H3' 1 10 U H6 . 2.600 3.000 3.062 3.062 3.062 0.062 1 0 "[ ]" 1
172 1 10 U H3' 1 11 A H8 . 3.000 4.000 2.998 2.998 2.998 0.002 1 0 "[ ]" 1
173 1 10 U H4' 1 11 A H3' . 4.500 19.000 7.488 7.488 7.488 . 0 0 "[ ]" 1
174 1 10 U H4' 1 11 A H8 . 4.500 19.000 5.851 5.851 5.851 . 0 0 "[ ]" 1
175 1 10 U H5 1 11 A H1' . 4.500 19.000 7.257 7.257 7.257 . 0 0 "[ ]" 1
176 1 10 U H5 1 11 A H2 . 4.500 19.000 10.206 10.206 10.206 . 0 0 "[ ]" 1
177 1 10 U H5 1 11 A H8 . 4.500 19.000 6.440 6.440 6.440 . 0 0 "[ ]" 1
178 1 10 U H5' 1 11 A H1' . 4.000 19.000 9.099 9.099 9.099 . 0 0 "[ ]" 1
179 1 10 U H5' 1 11 A H8 . 3.500 19.000 5.883 5.883 5.883 . 0 0 "[ ]" 1
180 1 10 U H5'' 1 11 A H1' . 4.000 19.000 8.011 8.011 8.011 . 0 0 "[ ]" 1
181 1 10 U H5'' 1 11 A H8 . 3.500 19.000 4.578 4.578 4.578 . 0 0 "[ ]" 1
182 1 10 U H6 1 11 A H1' . 4.500 19.000 6.577 6.577 6.577 . 0 0 "[ ]" 1
183 1 10 U H6 1 11 A H2 . 4.500 19.000 9.926 9.926 9.926 . 0 0 "[ ]" 1
184 1 10 U H6 1 11 A H8 . 4.500 19.000 4.845 4.845 4.845 . 0 0 "[ ]" 1
185 1 11 A H1' 1 11 A H2 . 4.100 4.500 4.554 4.554 4.554 0.054 1 0 "[ ]" 1
186 1 11 A H1' 1 11 A H2' . 2.800 3.200 2.750 2.750 2.750 0.050 1 0 "[ ]" 1
187 1 11 A H1' 1 11 A H8 . 3.200 3.600 3.686 3.686 3.686 0.086 1 0 "[ ]" 1
188 1 11 A H1' 1 12 A H1' . 4.500 19.000 5.471 5.471 5.471 . 0 0 "[ ]" 1
189 1 11 A H1' 1 12 A H8 . 3.700 4.700 4.799 4.799 4.799 0.099 1 0 "[ ]" 1
190 1 11 A H2 1 12 A H1' . 2.800 3.200 3.212 3.212 3.212 0.012 1 0 "[ ]" 1
191 1 11 A H2 1 12 A H2 . 4.000 5.000 5.012 5.012 5.012 0.012 1 0 "[ ]" 1
192 1 11 A H2 1 12 A H2' . 4.500 19.000 5.612 5.612 5.612 . 0 0 "[ ]" 1
193 1 11 A H2 1 12 A H3' . 4.500 19.000 6.431 6.431 6.431 . 0 0 "[ ]" 1
194 1 11 A H2 1 12 A H4' . 4.500 19.000 6.097 6.097 6.097 . 0 0 "[ ]" 1
195 1 11 A H2 1 12 A H5' . 4.500 19.000 6.610 6.610 6.610 . 0 0 "[ ]" 1
196 1 11 A H2 1 12 A H5'' . 4.500 19.000 7.672 7.672 7.672 . 0 0 "[ ]" 1
197 1 11 A H2 1 12 A H8 . 4.000 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
198 1 11 A H2 1 13 PSU H1' . 4.500 19.000 7.112 7.112 7.112 . 0 0 "[ ]" 1
199 1 11 A H2 1 13 PSU H6 . 4.500 19.000 7.141 7.141 7.141 . 0 0 "[ ]" 1
200 1 11 A H2' 1 11 A H8 . 3.000 3.400 3.405 3.405 3.405 0.005 1 0 "[ ]" 1
201 1 11 A H2' 1 12 A H8 . 2.700 3.100 2.501 2.501 2.501 0.199 1 0 "[ ]" 1
202 1 11 A H3' 1 11 A H8 . 3.200 3.600 3.623 3.623 3.623 0.023 1 0 "[ ]" 1
203 1 11 A H3' 1 12 A H8 . 3.000 3.400 3.523 3.523 3.523 0.123 1 0 "[ ]" 1
204 1 12 A H1' 1 12 A H2 . 3.600 4.600 4.633 4.633 4.633 0.033 1 0 "[ ]" 1
205 1 12 A H1' 1 12 A H2' . 2.900 3.300 2.825 2.825 2.825 0.075 1 0 "[ ]" 1
206 1 12 A H1' 1 12 A H8 . 3.400 3.800 3.801 3.801 3.801 0.001 1 0 "[ ]" 1
207 1 12 A H1' 1 13 PSU H6 . 4.500 19.000 4.999 4.999 4.999 . 0 0 "[ ]" 1
208 1 12 A H2 1 13 PSU H1' . 2.500 2.900 2.935 2.935 2.935 0.035 1 0 "[ ]" 1
209 1 12 A H2' 1 12 A H8 . 3.300 3.700 3.741 3.741 3.741 0.041 1 0 "[ ]" 1
210 1 12 A H2' 1 13 PSU H6 . 2.500 2.900 2.540 2.540 2.540 . 0 0 "[ ]" 1
211 1 12 A H3' 1 13 PSU H6 . 2.500 3.700 2.804 2.804 2.804 . 0 0 "[ ]" 1
212 1 13 PSU H1' 1 13 PSU H6 . 3.600 4.000 3.608 3.608 3.608 . 0 0 "[ ]" 1
213 1 13 PSU H1' 1 14 C H6 . 4.500 19.000 5.077 5.077 5.077 . 0 0 "[ ]" 1
214 1 13 PSU H2' 1 13 PSU H6 . 3.600 4.000 4.016 4.016 4.016 0.016 1 0 "[ ]" 1
215 1 13 PSU H3' 1 13 PSU H6 . 2.900 3.300 2.976 2.976 2.976 . 0 0 "[ ]" 1
216 1 13 PSU H3' 1 14 C H6 . 3.000 3.400 3.401 3.401 3.401 0.001 1 0 "[ ]" 1
217 1 13 PSU H6 1 14 C H5 . 4.000 5.000 4.867 4.867 4.867 . 0 0 "[ ]" 1
218 1 14 C H1' 1 14 C H2' . 2.600 3.000 2.779 2.779 2.779 . 0 0 "[ ]" 1
219 1 14 C H1' 1 14 C H4' . 2.900 3.300 3.196 3.196 3.196 . 0 0 "[ ]" 1
220 1 14 C H1' 1 15 U H6 . 4.500 19.000 5.114 5.114 5.114 . 0 0 "[ ]" 1
221 1 14 C H2' 1 15 U H6 . 2.300 2.700 2.519 2.519 2.519 . 0 0 "[ ]" 1
222 1 14 C H3' 1 14 C H6 . 2.700 3.100 2.855 2.855 2.855 . 0 0 "[ ]" 1
223 1 14 C H3' 1 15 U H6 . 2.900 3.300 3.336 3.336 3.336 0.036 1 0 "[ ]" 1
224 1 14 C H5 1 15 U H6 . 4.500 19.000 5.432 5.432 5.432 . 0 0 "[ ]" 1
225 1 15 U H1' 1 15 U H2' . 2.600 3.000 2.790 2.790 2.790 . 0 0 "[ ]" 1
226 1 15 U H1' 1 15 U H4' . 2.900 3.300 3.023 3.023 3.023 . 0 0 "[ ]" 1
227 1 15 U H1' 1 15 U H6 . 3.200 3.600 3.648 3.648 3.648 0.048 1 0 "[ ]" 1
228 1 15 U H1' 1 16 G H8 . 4.500 19.000 5.171 5.171 5.171 . 0 0 "[ ]" 1
229 1 15 U H2' 1 15 U H6 . 2.900 3.300 3.350 3.350 3.350 0.050 1 0 "[ ]" 1
230 1 15 U H2' 1 16 G H8 . 2.400 2.800 2.462 2.462 2.462 . 0 0 "[ ]" 1
231 1 15 U H3' 1 15 U H6 . 2.600 3.000 2.587 2.587 2.587 0.013 1 0 "[ ]" 1
232 1 15 U H3' 1 16 G H8 . 2.500 3.700 3.747 3.747 3.747 0.047 1 0 "[ ]" 1
233 1 15 U H5 1 16 G H8 . 4.500 19.000 5.827 5.827 5.827 . 0 0 "[ ]" 1
234 1 16 G H1' 1 16 G H2' . 2.400 2.800 2.760 2.760 2.760 . 0 0 "[ ]" 1
235 1 16 G H1' 1 16 G H8 . 3.300 3.700 3.723 3.723 3.723 0.023 1 0 "[ ]" 1
236 1 16 G H1' 1 17 A H8 . 4.500 19.000 5.200 5.200 5.200 . 0 0 "[ ]" 1
237 1 16 G H2' 1 17 A H8 . 2.500 2.900 2.715 2.715 2.715 . 0 0 "[ ]" 1
238 1 16 G H3' 1 17 A H8 . 3.000 3.400 3.441 3.441 3.441 0.041 1 0 "[ ]" 1
239 1 16 G O6 1 17 A N6 . . 5.000 2.763 2.763 2.763 . 0 0 "[ ]" 1
240 1 17 A H1' 1 17 A H2 . 3.600 4.000 4.189 4.189 4.189 0.189 1 0 "[ ]" 1
241 1 17 A H1' 1 17 A H2' . 2.700 3.100 2.788 2.788 2.788 . 0 0 "[ ]" 1
242 1 17 A H1' 1 17 A H8 . 3.300 3.700 3.780 3.780 3.780 0.080 1 0 "[ ]" 1
243 1 17 A H2' 1 17 A H8 . 2.900 3.300 3.349 3.349 3.349 0.049 1 0 "[ ]" 1
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