NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
31130 |
1duf   |
cing | 2-parsed | STAR | dipolar coupling | 408 |
data_1duf_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1duf
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_1duf 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1duf
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 1duf "Master copy" parsed_1duf
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1duf
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 1duf.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1duf 1
1 1duf.mr . . XPLOR/CNS 2 distance NOE ambi 162 parsed_1duf 1
1 1duf.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 32 parsed_1duf 1
1 1duf.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 156 parsed_1duf 1
1 1duf.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 408 parsed_1duf 1
1 1duf.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1duf 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1duf
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 5
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . 2.01 1.8100 2.2100 . . . 1 . C1' . 1 . H1' parsed_1duf 1
2 . . . . . . . . . . . . . . . . 5.25 5.0500 5.4500 . . . 1 . C2' . 1 . H2' parsed_1duf 1
3 . . . . . . . . . . . . . . . . -5.99 -6.1900 -5.7900 . . . 1 . C3' . 1 . H3' parsed_1duf 1
4 . . . . . . . . . . . . . . . . 3.41 3.2100 3.6100 . . . 1 . C4' . 1 . H4' parsed_1duf 1
5 . . . . . . . . . . . . . . . . 1.71 1.5100 1.9100 . . . 1 . C5' . 1 . H5'' parsed_1duf 1
6 . . . . . . . . . . . . . . . . 10.83 10.6300 11.0300 . . . 2 . C2' . 2 . H2' parsed_1duf 1
7 . . . . . . . . . . . . . . . . 15.03 14.8300 15.2300 . . . 2 . C5' . 2 . H5'' parsed_1duf 1
8 . . . . . . . . . . . . . . . . 0.48 0.2800 0.6800 . . . 3 . C1' . 3 . H1' parsed_1duf 1
9 . . . . . . . . . . . . . . . . 13.61 13.4100 13.8100 . . . 4 . C1' . 4 . H1' parsed_1duf 1
10 . . . . . . . . . . . . . . . . 9.98 9.7800 10.1800 . . . 4 . C2' . 4 . H2' parsed_1duf 1
11 . . . . . . . . . . . . . . . . 18.65 18.4500 18.8500 . . . 4 . C3' . 4 . H3' parsed_1duf 1
12 . . . . . . . . . . . . . . . . -4.77 -4.9700 -4.5700 . . . 4 . C4' . 4 . H4' parsed_1duf 1
13 . . . . . . . . . . . . . . . . 18.06 17.8600 18.2600 . . . 4 . C5' . 4 . H5'' parsed_1duf 1
14 . . . . . . . . . . . . . . . . 18.58 18.3800 18.7800 . . . 5 . C1' . 5 . H1' parsed_1duf 1
15 . . . . . . . . . . . . . . . . 12.07 11.8700 12.2700 . . . 5 . C2' . 5 . H2' parsed_1duf 1
16 . . . . . . . . . . . . . . . . 15.87 15.6700 16.0700 . . . 5 . C3' . 5 . H3' parsed_1duf 1
17 . . . . . . . . . . . . . . . . -4.40 -4.6000 -4.2000 . . . 5 . C4' . 5 . H4' parsed_1duf 1
18 . . . . . . . . . . . . . . . . 9.09 8.8900 9.2900 . . . 5 . C5' . 5 . H5'' parsed_1duf 1
19 . . . . . . . . . . . . . . . . 16.15 15.9500 16.3500 . . . 6 . C1' . 6 . H1' parsed_1duf 1
20 . . . . . . . . . . . . . . . . 16.24 16.0400 16.4400 . . . 6 . C2' . 6 . H2' parsed_1duf 1
21 . . . . . . . . . . . . . . . . 12.84 12.6400 13.0400 . . . 6 . C3' . 6 . H3' parsed_1duf 1
22 . . . . . . . . . . . . . . . . 5.09 4.8900 5.2900 . . . 6 . C4' . 6 . H4' parsed_1duf 1
23 . . . . . . . . . . . . . . . . 10.31 10.1100 10.5100 . . . 6 . C5' . 6 . H5'' parsed_1duf 1
24 . . . . . . . . . . . . . . . . 9.97 9.7700 10.1700 . . . 7 . C1' . 7 . H1' parsed_1duf 1
25 . . . . . . . . . . . . . . . . 5.24 5.0400 5.4400 . . . 7 . C2' . 7 . H2' parsed_1duf 1
26 . . . . . . . . . . . . . . . . 7.63 7.4300 7.8300 . . . 7 . C3' . 7 . H3' parsed_1duf 1
27 . . . . . . . . . . . . . . . . 7.02 6.8200 7.2200 . . . 7 . C4' . 7 . H4' parsed_1duf 1
28 . . . . . . . . . . . . . . . . 17.22 17.0200 17.4200 . . . 7 . C5' . 7 . H5'' parsed_1duf 1
29 . . . . . . . . . . . . . . . . 10.31 10.1100 10.5100 . . . 8 . C1' . 8 . H1' parsed_1duf 1
30 . . . . . . . . . . . . . . . . 8.65 8.4500 8.8500 . . . 8 . C2' . 8 . H2' parsed_1duf 1
31 . . . . . . . . . . . . . . . . 15.48 15.2800 15.6800 . . . 8 . C3' . 8 . H3' parsed_1duf 1
32 . . . . . . . . . . . . . . . . 7.05 6.8500 7.2500 . . . 8 . C4' . 8 . H4' parsed_1duf 1
33 . . . . . . . . . . . . . . . . 8.16 7.9600 8.3600 . . . 9 . C1' . 9 . H1' parsed_1duf 1
34 . . . . . . . . . . . . . . . . 3.38 3.1800 3.5800 . . . 9 . C2' . 9 . H2' parsed_1duf 1
35 . . . . . . . . . . . . . . . . 17.76 17.5600 17.9600 . . . 9 . C3' . 9 . H3' parsed_1duf 1
36 . . . . . . . . . . . . . . . . 7.63 7.4300 7.8300 . . . 9 . C4' . 9 . H4' parsed_1duf 1
37 . . . . . . . . . . . . . . . . 15.59 15.3900 15.7900 . . . 9 . C5' . 9 . H5'' parsed_1duf 1
38 . . . . . . . . . . . . . . . . 15.35 15.1500 15.5500 . . . 10 . C1' . 10 . H1' parsed_1duf 1
39 . . . . . . . . . . . . . . . . 15.15 14.9500 15.3500 . . . 10 . C2' . 10 . H2' parsed_1duf 1
40 . . . . . . . . . . . . . . . . 9.92 9.7200 10.1200 . . . 10 . C5' . 10 . H5'' parsed_1duf 1
41 . . . . . . . . . . . . . . . . 14.19 13.9900 14.3900 . . . 11 . C1' . 11 . H1' parsed_1duf 1
42 . . . . . . . . . . . . . . . . 12.74 12.5400 12.9400 . . . 11 . C2' . 11 . H2' parsed_1duf 1
43 . . . . . . . . . . . . . . . . 11.02 10.8200 11.2200 . . . 12 . C1' . 12 . H1' parsed_1duf 1
44 . . . . . . . . . . . . . . . . 11.72 11.5200 11.9200 . . . 12 . C2' . 12 . H2' parsed_1duf 1
45 . . . . . . . . . . . . . . . . 3.39 3.1900 3.5900 . . . 12 . C3' . 12 . H3' parsed_1duf 1
46 . . . . . . . . . . . . . . . . 13.79 13.5900 13.9900 . . . 12 . C4' . 12 . H4' parsed_1duf 1
47 . . . . . . . . . . . . . . . . 7.71 7.5100 7.9100 . . . 12 . C5' . 12 . H5'' parsed_1duf 1
48 . . . . . . . . . . . . . . . . 2.01 1.8100 2.2100 . . . 13 . C1' . 13 . H1' parsed_1duf 1
49 . . . . . . . . . . . . . . . . 5.25 5.0500 5.4500 . . . 13 . C2' . 13 . H2' parsed_1duf 1
50 . . . . . . . . . . . . . . . . -5.99 -6.1900 -5.7900 . . . 13 . C3' . 13 . H3' parsed_1duf 1
51 . . . . . . . . . . . . . . . . 3.41 3.2100 3.6100 . . . 13 . C4' . 13 . H4' parsed_1duf 1
52 . . . . . . . . . . . . . . . . 1.71 1.5100 1.9100 . . . 13 . C5' . 13 . H5'' parsed_1duf 1
53 . . . . . . . . . . . . . . . . 10.83 10.6300 11.0300 . . . 14 . C2' . 14 . H2' parsed_1duf 1
54 . . . . . . . . . . . . . . . . 15.03 14.8300 15.2300 . . . 14 . C5' . 14 . H5'' parsed_1duf 1
55 . . . . . . . . . . . . . . . . 0.48 0.2800 0.6800 . . . 15 . C1' . 15 . H1' parsed_1duf 1
56 . . . . . . . . . . . . . . . . 13.61 13.4100 13.8100 . . . 16 . C1' . 16 . H1' parsed_1duf 1
57 . . . . . . . . . . . . . . . . 9.98 9.7800 10.1800 . . . 16 . C2' . 16 . H2' parsed_1duf 1
58 . . . . . . . . . . . . . . . . 18.65 18.4500 18.8500 . . . 16 . C3' . 16 . H3' parsed_1duf 1
59 . . . . . . . . . . . . . . . . -4.77 -4.9700 -4.5700 . . . 16 . C4' . 16 . H4' parsed_1duf 1
60 . . . . . . . . . . . . . . . . 18.06 17.8600 18.2600 . . . 16 . C5' . 16 . H5'' parsed_1duf 1
61 . . . . . . . . . . . . . . . . 18.58 18.3800 18.7800 . . . 17 . C1' . 17 . H1' parsed_1duf 1
62 . . . . . . . . . . . . . . . . 12.07 11.8700 12.2700 . . . 17 . C2' . 17 . H2' parsed_1duf 1
63 . . . . . . . . . . . . . . . . 15.87 15.6700 16.0700 . . . 17 . C3' . 17 . H3' parsed_1duf 1
64 . . . . . . . . . . . . . . . . -4.40 -4.6000 -4.2000 . . . 17 . C4' . 17 . H4' parsed_1duf 1
65 . . . . . . . . . . . . . . . . 9.09 8.8900 9.2900 . . . 17 . C5' . 17 . H5'' parsed_1duf 1
66 . . . . . . . . . . . . . . . . 16.15 15.9500 16.3500 . . . 18 . C1' . 18 . H1' parsed_1duf 1
67 . . . . . . . . . . . . . . . . 16.24 16.0400 16.4400 . . . 18 . C2' . 18 . H2' parsed_1duf 1
68 . . . . . . . . . . . . . . . . 12.84 12.6400 13.0400 . . . 18 . C3' . 18 . H3' parsed_1duf 1
69 . . . . . . . . . . . . . . . . 5.09 4.8900 5.2900 . . . 18 . C4' . 18 . H4' parsed_1duf 1
70 . . . . . . . . . . . . . . . . 10.31 10.1100 10.5100 . . . 18 . C5' . 18 . H5'' parsed_1duf 1
71 . . . . . . . . . . . . . . . . 9.97 9.7700 10.1700 . . . 19 . C1' . 19 . H1' parsed_1duf 1
72 . . . . . . . . . . . . . . . . 5.24 5.0400 5.4400 . . . 19 . C2' . 19 . H2' parsed_1duf 1
73 . . . . . . . . . . . . . . . . 7.63 7.4300 7.8300 . . . 19 . C3' . 19 . H3' parsed_1duf 1
74 . . . . . . . . . . . . . . . . 7.02 6.8200 7.2200 . . . 19 . C4' . 19 . H4' parsed_1duf 1
75 . . . . . . . . . . . . . . . . 17.22 17.0200 17.4200 . . . 19 . C5' . 19 . H5'' parsed_1duf 1
76 . . . . . . . . . . . . . . . . 10.31 10.1100 10.5100 . . . 20 . C1' . 20 . H1' parsed_1duf 1
77 . . . . . . . . . . . . . . . . 8.65 8.4500 8.8500 . . . 20 . C2' . 20 . H2' parsed_1duf 1
78 . . . . . . . . . . . . . . . . 15.48 15.2800 15.6800 . . . 20 . C3' . 20 . H3' parsed_1duf 1
79 . . . . . . . . . . . . . . . . 7.05 6.8500 7.2500 . . . 20 . C4' . 20 . H4' parsed_1duf 1
80 . . . . . . . . . . . . . . . . 8.16 7.9600 8.3600 . . . 21 . C1' . 21 . H1' parsed_1duf 1
81 . . . . . . . . . . . . . . . . 3.38 3.1800 3.5800 . . . 21 . C2' . 21 . H2' parsed_1duf 1
82 . . . . . . . . . . . . . . . . 17.76 17.5600 17.9600 . . . 21 . C3' . 21 . H3' parsed_1duf 1
83 . . . . . . . . . . . . . . . . 7.63 7.4300 7.8300 . . . 21 . C4' . 21 . H4' parsed_1duf 1
84 . . . . . . . . . . . . . . . . 15.59 15.3900 15.7900 . . . 21 . C5' . 21 . H5'' parsed_1duf 1
85 . . . . . . . . . . . . . . . . 15.35 15.1500 15.5500 . . . 22 . C1' . 22 . H1' parsed_1duf 1
86 . . . . . . . . . . . . . . . . 15.15 14.9500 15.3500 . . . 22 . C2' . 22 . H2' parsed_1duf 1
87 . . . . . . . . . . . . . . . . 9.92 9.7200 10.1200 . . . 22 . C5' . 22 . H5'' parsed_1duf 1
88 . . . . . . . . . . . . . . . . 14.19 13.9900 14.3900 . . . 23 . C1' . 23 . H1' parsed_1duf 1
89 . . . . . . . . . . . . . . . . 12.74 12.5400 12.9400 . . . 23 . C2' . 23 . H2' parsed_1duf 1
90 . . . . . . . . . . . . . . . . 11.02 10.8200 11.2200 . . . 24 . C1' . 24 . H1' parsed_1duf 1
91 . . . . . . . . . . . . . . . . 11.72 11.5200 11.9200 . . . 24 . C2' . 24 . H2' parsed_1duf 1
92 . . . . . . . . . . . . . . . . 3.39 3.1900 3.5900 . . . 24 . C3' . 24 . H3' parsed_1duf 1
93 . . . . . . . . . . . . . . . . 13.79 13.5900 13.9900 . . . 24 . C4' . 24 . H4' parsed_1duf 1
94 . . . . . . . . . . . . . . . . 7.71 7.5100 7.9100 . . . 24 . C5' . 24 . H5'' parsed_1duf 1
95 . . . . . . . . . . . . . . . . 5.24 5.0400 5.4400 . . . 1 . C6 . 1 . H6 parsed_1duf 1
96 . . . . . . . . . . . . . . . . 17.95 17.7500 18.1500 . . . 3 . C6 . 3 . H6 parsed_1duf 1
97 . . . . . . . . . . . . . . . . 24.20 24.0000 24.4000 . . . 4 . C8 . 4 . H8 parsed_1duf 1
98 . . . . . . . . . . . . . . . . 21.36 21.1600 21.5600 . . . 5 . C2 . 5 . H2 parsed_1duf 1
99 . . . . . . . . . . . . . . . . 22.31 22.1100 22.5100 . . . 5 . C8 . 5 . H8 parsed_1duf 1
100 . . . . . . . . . . . . . . . . 22.99 22.7900 23.1900 . . . 6 . C2 . 6 . H2 parsed_1duf 1
101 . . . . . . . . . . . . . . . . 17.73 17.5300 17.9300 . . . 6 . C8 . 6 . H8 parsed_1duf 1
102 . . . . . . . . . . . . . . . . 10.68 10.4800 10.8800 . . . 7 . C6 . 7 . H6 parsed_1duf 1
103 . . . . . . . . . . . . . . . . 23.52 23.3200 23.7200 . . . 8 . C6 . 8 . H6 parsed_1duf 1
104 . . . . . . . . . . . . . . . . 23.52 23.3200 23.7200 . . . 9 . C6 . 9 . H6 parsed_1duf 1
105 . . . . . . . . . . . . . . . . 10.86 10.6600 11.0600 . . . 11 . C6 . 11 . H6 parsed_1duf 1
106 . . . . . . . . . . . . . . . . 2.42 2.2200 2.6200 . . . 12 . C8 . 12 . H8 parsed_1duf 1
107 . . . . . . . . . . . . . . . . 5.24 5.0400 5.4400 . . . 13 . C6 . 13 . H6 parsed_1duf 1
108 . . . . . . . . . . . . . . . . 17.95 17.7500 18.1500 . . . 15 . C6 . 15 . H6 parsed_1duf 1
109 . . . . . . . . . . . . . . . . 24.20 24.0000 24.4000 . . . 16 . C8 . 16 . H8 parsed_1duf 1
110 . . . . . . . . . . . . . . . . 21.36 21.1600 21.5600 . . . 17 . C2 . 17 . H2 parsed_1duf 1
111 . . . . . . . . . . . . . . . . 22.31 22.1100 22.5100 . . . 17 . C8 . 17 . H8 parsed_1duf 1
112 . . . . . . . . . . . . . . . . 22.99 22.7900 23.1900 . . . 18 . C2 . 18 . H2 parsed_1duf 1
113 . . . . . . . . . . . . . . . . 17.73 17.5300 17.9300 . . . 18 . C8 . 18 . H8 parsed_1duf 1
114 . . . . . . . . . . . . . . . . 10.68 10.4800 10.8800 . . . 19 . C6 . 19 . H6 parsed_1duf 1
115 . . . . . . . . . . . . . . . . 23.52 23.3200 23.7200 . . . 20 . C6 . 20 . H6 parsed_1duf 1
116 . . . . . . . . . . . . . . . . 23.52 23.3200 23.7200 . . . 21 . C6 . 21 . H6 parsed_1duf 1
117 . . . . . . . . . . . . . . . . 10.86 10.6600 11.0600 . . . 23 . C6 . 23 . H6 parsed_1duf 1
118 . . . . . . . . . . . . . . . . 2.42 2.2200 2.6200 . . . 24 . C8 . 24 . H8 parsed_1duf 1
119 . . . . . . . . . . . . . . . . 7.26 7.0600 7.4600 . . . 2 . N1 . 2 . H1 parsed_1duf 1
120 . . . . . . . . . . . . . . . . 12.94 12.7400 13.1400 . . . 4 . N1 . 4 . H1 parsed_1duf 1
121 . . . . . . . . . . . . . . . . 4.72 4.5200 4.9200 . . . 7 . N3 . 7 . H3 parsed_1duf 1
122 . . . . . . . . . . . . . . . . 9.82 9.6200 10.0200 . . . 8 . N3 . 8 . H3 parsed_1duf 1
123 . . . . . . . . . . . . . . . . 7.11 6.9100 7.3100 . . . 10 . N1 . 10 . H1 parsed_1duf 1
124 . . . . . . . . . . . . . . . . 7.26 7.0600 7.4600 . . . 14 . N1 . 14 . H1 parsed_1duf 1
125 . . . . . . . . . . . . . . . . 12.94 12.7400 13.1400 . . . 16 . N1 . 16 . H1 parsed_1duf 1
126 . . . . . . . . . . . . . . . . 4.72 4.5200 4.9200 . . . 19 . N3 . 19 . H3 parsed_1duf 1
127 . . . . . . . . . . . . . . . . 9.82 9.6200 10.0200 . . . 20 . N3 . 20 . H3 parsed_1duf 1
128 . . . . . . . . . . . . . . . . 7.11 6.9100 7.3100 . . . 22 . N1 . 22 . H1 parsed_1duf 1
129 . . . . . . . . . . . . . . . . 14.82 14.6200 15.0200 . . . 7 . C5 . 7 . CM parsed_1duf 1
130 . . . . . . . . . . . . . . . . 11.03 10.8300 11.2300 . . . 8 . C5 . 8 . CM parsed_1duf 1
131 . . . . . . . . . . . . . . . . 14.82 14.6200 15.0200 . . . 19 . C5 . 19 . CM parsed_1duf 1
132 . . . . . . . . . . . . . . . . 11.03 10.8300 11.2300 . . . 20 . C5 . 20 . CM parsed_1duf 1
133 . . . . . . . . . . . . . . . . 8.50 8.3000 8.7000 . . . 2 . C1' . 2 . H1' parsed_1duf 1
134 . . . . . . . . . . . . . . . . 6.05 5.8500 6.2500 . . . 2 . C3' . 2 . H3' parsed_1duf 1
135 . . . . . . . . . . . . . . . . 6.40 6.2000 6.6000 . . . 2 . C4' . 2 . H4' parsed_1duf 1
136 . . . . . . . . . . . . . . . . -8.43 -8.6300 -8.2300 . . . 3 . C2' . 3 . H2' parsed_1duf 1
137 . . . . . . . . . . . . . . . . -0.01 -0.2100 0.1900 . . . 3 . C3' . 3 . H3' parsed_1duf 1
138 . . . . . . . . . . . . . . . . -1.00 -1.2000 -0.8000 . . . 3 . C4' . 3 . H4' parsed_1duf 1
139 . . . . . . . . . . . . . . . . 18.80 18.6000 19.0000 . . . 3 . C5' . 3 . H5'' parsed_1duf 1
140 . . . . . . . . . . . . . . . . 14.09 13.8900 14.2900 . . . 8 . C5' . 8 . H5'' parsed_1duf 1
141 . . . . . . . . . . . . . . . . 22.00 21.8000 22.2000 . . . 10 . C3' . 10 . H3' parsed_1duf 1
142 . . . . . . . . . . . . . . . . 9.86 9.6600 10.0600 . . . 10 . C4' . 10 . H4' parsed_1duf 1
143 . . . . . . . . . . . . . . . . 7.73 7.5300 7.9300 . . . 11 . C3' . 11 . H3' parsed_1duf 1
144 . . . . . . . . . . . . . . . . 16.00 15.8000 16.2000 . . . 11 . C4' . 11 . H4' parsed_1duf 1
145 . . . . . . . . . . . . . . . . 13.95 13.7500 14.1500 . . . 11 . C5' . 11 . H5'' parsed_1duf 1
146 . . . . . . . . . . . . . . . . 8.50 8.3000 8.7000 . . . 14 . C1' . 14 . H1' parsed_1duf 1
147 . . . . . . . . . . . . . . . . 6.05 5.8500 6.2500 . . . 14 . C3' . 14 . H3' parsed_1duf 1
148 . . . . . . . . . . . . . . . . 6.40 6.2000 6.6000 . . . 14 . C4' . 14 . H4' parsed_1duf 1
149 . . . . . . . . . . . . . . . . -8.43 -8.6300 -8.2300 . . . 15 . C2' . 15 . H2' parsed_1duf 1
150 . . . . . . . . . . . . . . . . -0.01 -0.2100 0.1900 . . . 15 . C3' . 15 . H3' parsed_1duf 1
151 . . . . . . . . . . . . . . . . -1.00 -1.2000 -0.8000 . . . 15 . C4' . 15 . H4' parsed_1duf 1
152 . . . . . . . . . . . . . . . . 18.80 18.6000 19.0000 . . . 15 . C5' . 15 . H5'' parsed_1duf 1
153 . . . . . . . . . . . . . . . . 14.09 13.8900 14.2900 . . . 20 . C5' . 20 . H5'' parsed_1duf 1
154 . . . . . . . . . . . . . . . . 22.00 21.8000 22.2000 . . . 22 . C3' . 22 . H3' parsed_1duf 1
155 . . . . . . . . . . . . . . . . 9.86 9.6600 10.0600 . . . 22 . C4' . 22 . H4' parsed_1duf 1
156 . . . . . . . . . . . . . . . . 7.73 7.5300 7.9300 . . . 23 . C3' . 23 . H3' parsed_1duf 1
157 . . . . . . . . . . . . . . . . 16.00 15.8000 16.2000 . . . 23 . C4' . 23 . H4' parsed_1duf 1
158 . . . . . . . . . . . . . . . . 13.95 13.7500 14.1500 . . . 23 . C5' . 23 . H5'' parsed_1duf 1
159 . . . . . . . . . . . . . . . . 1.03 0.8300 1.2300 . . . 1 . C2' . 1 . H2'' parsed_1duf 1
160 . . . . . . . . . . . . . . . . -17.53 -17.7300 -17.3300 . . . 2 . C2' . 2 . H2'' parsed_1duf 1
161 . . . . . . . . . . . . . . . . -8.42 -8.6200 -8.2200 . . . 3 . C2' . 3 . H2'' parsed_1duf 1
162 . . . . . . . . . . . . . . . . -24.41 -24.6100 -24.2100 . . . 4 . C2' . 4 . H2'' parsed_1duf 1
163 . . . . . . . . . . . . . . . . -14.19 -14.3900 -13.9900 . . . 5 . C2' . 5 . H2'' parsed_1duf 1
164 . . . . . . . . . . . . . . . . -16.15 -16.3500 -15.9500 . . . 6 . C2' . 6 . H2'' parsed_1duf 1
165 . . . . . . . . . . . . . . . . -18.20 -18.4000 -18.0000 . . . 9 . C2' . 9 . H2'' parsed_1duf 1
166 . . . . . . . . . . . . . . . . -23.86 -24.0600 -23.6600 . . . 10 . C2' . 10 . H2'' parsed_1duf 1
167 . . . . . . . . . . . . . . . . -1.17 -1.3700 -0.9700 . . . 11 . C2' . 11 . H2'' parsed_1duf 1
168 . . . . . . . . . . . . . . . . -4.84 -5.0400 -4.6400 . . . 12 . C2' . 12 . H2'' parsed_1duf 1
169 . . . . . . . . . . . . . . . . 1.03 0.8300 1.2300 . . . 13 . C2' . 13 . H2'' parsed_1duf 1
170 . . . . . . . . . . . . . . . . -17.53 -17.7300 -17.3300 . . . 14 . C2' . 14 . H2'' parsed_1duf 1
171 . . . . . . . . . . . . . . . . -8.42 -8.6200 -8.2200 . . . 15 . C2' . 15 . H2'' parsed_1duf 1
172 . . . . . . . . . . . . . . . . -24.41 -24.6100 -24.2100 . . . 16 . C2' . 16 . H2'' parsed_1duf 1
173 . . . . . . . . . . . . . . . . -14.19 -14.3900 -13.9900 . . . 17 . C2' . 17 . H2'' parsed_1duf 1
174 . . . . . . . . . . . . . . . . -16.15 -16.3500 -15.9500 . . . 18 . C2' . 18 . H2'' parsed_1duf 1
175 . . . . . . . . . . . . . . . . -18.20 -18.4000 -18.0000 . . . 21 . C2' . 21 . H2'' parsed_1duf 1
176 . . . . . . . . . . . . . . . . -23.86 -24.0600 -23.6600 . . . 22 . C2' . 22 . H2'' parsed_1duf 1
177 . . . . . . . . . . . . . . . . -1.17 -1.3700 -0.9700 . . . 23 . C2' . 23 . H2'' parsed_1duf 1
178 . . . . . . . . . . . . . . . . -4.84 -5.0400 -4.6400 . . . 24 . C2' . 24 . H2'' parsed_1duf 1
179 . . . . . . . . . . . . . . . . -5.57 -5.7700 -5.3700 . . . 1 . C5' . 1 . H5' parsed_1duf 1
180 . . . . . . . . . . . . . . . . -20.71 -20.9100 -20.5100 . . . 2 . C5' . 2 . H5' parsed_1duf 1
181 . . . . . . . . . . . . . . . . -22.05 -22.2500 -21.8500 . . . 4 . C5' . 4 . H5' parsed_1duf 1
182 . . . . . . . . . . . . . . . . -18.57 -18.7700 -18.3700 . . . 5 . C5' . 5 . H5' parsed_1duf 1
183 . . . . . . . . . . . . . . . . -21.86 -22.0600 -21.6600 . . . 6 . C5' . 6 . H5' parsed_1duf 1
184 . . . . . . . . . . . . . . . . -20.23 -20.4300 -20.0300 . . . 7 . C5' . 7 . H5' parsed_1duf 1
185 . . . . . . . . . . . . . . . . -32.09 -32.2900 -31.8900 . . . 9 . C5' . 9 . H5' parsed_1duf 1
186 . . . . . . . . . . . . . . . . -25.94 -26.1400 -25.7400 . . . 10 . C5' . 10 . H5' parsed_1duf 1
187 . . . . . . . . . . . . . . . . -28.56 -28.7600 -28.3600 . . . 12 . C5' . 12 . H5' parsed_1duf 1
188 . . . . . . . . . . . . . . . . -5.57 -5.7700 -5.3700 . . . 13 . C5' . 13 . H5' parsed_1duf 1
189 . . . . . . . . . . . . . . . . -20.71 -20.9100 -20.5100 . . . 14 . C5' . 14 . H5' parsed_1duf 1
190 . . . . . . . . . . . . . . . . -22.05 -22.2500 -21.8500 . . . 16 . C5' . 16 . H5' parsed_1duf 1
191 . . . . . . . . . . . . . . . . -18.57 -18.7700 -18.3700 . . . 17 . C5' . 17 . H5' parsed_1duf 1
192 . . . . . . . . . . . . . . . . -21.86 -22.0600 -21.6600 . . . 18 . C5' . 18 . H5' parsed_1duf 1
193 . . . . . . . . . . . . . . . . -20.23 -20.4300 -20.0300 . . . 19 . C5' . 19 . H5' parsed_1duf 1
194 . . . . . . . . . . . . . . . . -32.09 -32.2900 -31.8900 . . . 21 . C5' . 21 . H5' parsed_1duf 1
195 . . . . . . . . . . . . . . . . -25.94 -26.1400 -25.7400 . . . 22 . C5' . 22 . H5' parsed_1duf 1
196 . . . . . . . . . . . . . . . . -28.56 -28.7600 -28.3600 . . . 24 . C5' . 24 . H5' parsed_1duf 1
197 . . . . . . . . . . . . . . . . 14.53 14.3300 14.7300 . . . 1 . C5 . 1 . H5 parsed_1duf 1
198 . . . . . . . . . . . . . . . . 6.95 6.7500 7.1500 . . . 2 . C8 . 2 . H8 parsed_1duf 1
199 . . . . . . . . . . . . . . . . 4.26 4.0600 4.4600 . . . 3 . C5 . 3 . H5 parsed_1duf 1
200 . . . . . . . . . . . . . . . . 8.73 8.5300 8.9300 . . . 9 . C5 . 9 . H5 parsed_1duf 1
201 . . . . . . . . . . . . . . . . 19.93 19.7300 20.1300 . . . 10 . C8 . 10 . H8 parsed_1duf 1
202 . . . . . . . . . . . . . . . . 24.20 24.0000 24.4000 . . . 11 . C5 . 11 . H5 parsed_1duf 1
203 . . . . . . . . . . . . . . . . 14.53 14.3300 14.7300 . . . 13 . C5 . 13 . H5 parsed_1duf 1
204 . . . . . . . . . . . . . . . . 6.95 6.7500 7.1500 . . . 14 . C8 . 14 . H8 parsed_1duf 1
205 . . . . . . . . . . . . . . . . 4.26 4.0600 4.4600 . . . 15 . C5 . 15 . H5 parsed_1duf 1
206 . . . . . . . . . . . . . . . . 8.73 8.5300 8.9300 . . . 21 . C5 . 21 . H5 parsed_1duf 1
207 . . . . . . . . . . . . . . . . 19.93 19.7300 20.1300 . . . 22 . C8 . 22 . H8 parsed_1duf 1
208 . . . . . . . . . . . . . . . . 24.20 24.0000 24.4000 . . . 23 . C5 . 23 . H5 parsed_1duf 1
209 . . . . . . . . . . . . . . . . 7.50 5.00 10.00 . . . 1 . H2' . 2 . H8 parsed_1duf 1
210 . . . . . . . . . . . . . . . . 7.50 5.00 10.00 . . . 13 . H2' . 14 . H8 parsed_1duf 1
211 . . . . . . . . . . . . . . . . 6.00 4.00 8.00 . . . 12 . H1' . 12 . H8 parsed_1duf 1
212 . . . . . . . . . . . . . . . . 6.00 4.00 8.00 . . . 24 . H1' . 24 . H8 parsed_1duf 1
213 . . . . . . . . . . . . . . . . 6.00 4.00 8.00 . . . 11 . H1' . 12 . H8 parsed_1duf 1
214 . . . . . . . . . . . . . . . . 6.00 4.00 8.00 . . . 23 . H1' . 24 . H8 parsed_1duf 1
215 . . . . . . . . . . . . . . . . 6.00 4.00 8.00 . . . 1 . H1' . 2 . H8 parsed_1duf 1
216 . . . . . . . . . . . . . . . . 6.00 4.00 8.00 . . . 13 . H1' . 14 . H8 parsed_1duf 1
217 . . . . . . . . . . . . . . . . 0.00 0.00 20.00 . . . 1 . H2' . 1 . H3' parsed_1duf 1
218 . . . . . . . . . . . . . . . . 0.00 0.00 20.00 . . . 13 . H2' . 13 . H3' parsed_1duf 1
219 . . . . . . . . . . . . . . . . 0.00 0.00 20.00 . . . 3 . H2' . 3 . H3' parsed_1duf 1
220 . . . . . . . . . . . . . . . . 0.00 0.00 20.00 . . . 15 . H2' . 15 . H3' parsed_1duf 1
221 . . . . . . . . . . . . . . . . -6.00 -11.00 -1.00 . . . 5 . H2' . 5 . H3' parsed_1duf 1
222 . . . . . . . . . . . . . . . . -6.00 -11.00 -1.00 . . . 17 . H2' . 17 . H3' parsed_1duf 1
223 . . . . . . . . . . . . . . . . -6.00 -12.00 0.00 . . . 6 . H2' . 6 . H3' parsed_1duf 1
224 . . . . . . . . . . . . . . . . -6.00 -12.00 0.00 . . . 18 . H2' . 18 . H3' parsed_1duf 1
225 . . . . . . . . . . . . . . . . 0.00 0.00 20.00 . . . 7 . H2' . 7 . H3' parsed_1duf 1
226 . . . . . . . . . . . . . . . . 0.00 0.00 20.00 . . . 19 . H2' . 19 . H3' parsed_1duf 1
227 . . . . . . . . . . . . . . . . 0.00 0.00 20.00 . . . 8 . H2' . 8 . H3' parsed_1duf 1
228 . . . . . . . . . . . . . . . . 0.00 0.00 20.00 . . . 20 . H2' . 20 . H3' parsed_1duf 1
229 . . . . . . . . . . . . . . . . 0.00 0.00 20.00 . . . 11 . H2' . 11 . H3' parsed_1duf 1
230 . . . . . . . . . . . . . . . . 0.00 0.00 20.00 . . . 23 . H2' . 23 . H3' parsed_1duf 1
231 . . . . . . . . . . . . . . . . 0.00 0.00 20.00 . . . 12 . H2' . 12 . H3' parsed_1duf 1
232 . . . . . . . . . . . . . . . . 0.00 0.00 20.00 . . . 24 . H2' . 24 . H3' parsed_1duf 1
233 . . . . . . . . . . . . . . . . -3.00 -8.00 2.00 . . . 1 . H2'' . 1 . H3' parsed_1duf 1
234 . . . . . . . . . . . . . . . . -3.00 -8.00 2.00 . . . 13 . H2'' . 13 . H3' parsed_1duf 1
235 . . . . . . . . . . . . . . . . -2.30 -7.30 2.70 . . . 3 . H2'' . 3 . H3' parsed_1duf 1
236 . . . . . . . . . . . . . . . . -2.30 -7.30 2.70 . . . 15 . H2'' . 15 . H3' parsed_1duf 1
237 . . . . . . . . . . . . . . . . -1.50 -6.50 3.50 . . . 5 . H2'' . 5 . H3' parsed_1duf 1
238 . . . . . . . . . . . . . . . . -1.50 -6.50 3.50 . . . 17 . H2'' . 17 . H3' parsed_1duf 1
239 . . . . . . . . . . . . . . . . -1.50 -6.50 3.50 . . . 6 . H2'' . 6 . H3' parsed_1duf 1
240 . . . . . . . . . . . . . . . . -1.50 -6.50 3.50 . . . 18 . H2'' . 18 . H3' parsed_1duf 1
241 . . . . . . . . . . . . . . . . -2.20 -7.20 2.80 . . . 7 . H2'' . 7 . H3' parsed_1duf 1
242 . . . . . . . . . . . . . . . . -2.20 -7.20 2.80 . . . 19 . H2'' . 19 . H3' parsed_1duf 1
243 . . . . . . . . . . . . . . . . -1.60 -6.60 3.40 . . . 8 . H2'' . 8 . H3' parsed_1duf 1
244 . . . . . . . . . . . . . . . . -1.60 -6.60 3.40 . . . 20 . H2'' . 20 . H3' parsed_1duf 1
245 . . . . . . . . . . . . . . . . 5.00 2.00 8.00 . . . 11 . H2'' . 11 . H3' parsed_1duf 1
246 . . . . . . . . . . . . . . . . 5.00 2.00 8.00 . . . 23 . H2'' . 23 . H3' parsed_1duf 1
247 . . . . . . . . . . . . . . . . -3.60 -7.60 0.40 . . . 12 . H2'' . 12 . H3' parsed_1duf 1
248 . . . . . . . . . . . . . . . . -3.60 -7.60 0.40 . . . 24 . H2'' . 24 . H3' parsed_1duf 1
249 . . . . . . . . . . . . . . . . -8.00 -12.00 -4.00 . . . 1 . H1' . 1 . H2' parsed_1duf 1
250 . . . . . . . . . . . . . . . . -13.00 -16.00 -10.00 . . . 1 . H1' . 1 . H2'' parsed_1duf 1
251 . . . . . . . . . . . . . . . . -8.00 -12.00 -4.00 . . . 13 . H1' . 13 . H2' parsed_1duf 1
252 . . . . . . . . . . . . . . . . -13.00 -16.00 -10.00 . . . 13 . H1' . 13 . H2'' parsed_1duf 1
253 . . . . . . . . . . . . . . . . -4.00 -7.00 -1.00 . . . 2 . H1' . 2 . H2' parsed_1duf 1
254 . . . . . . . . . . . . . . . . -12.00 -16.00 -8.00 . . . 2 . H1' . 2 . H2'' parsed_1duf 1
255 . . . . . . . . . . . . . . . . -4.00 -7.00 -1.00 . . . 14 . H1' . 14 . H2' parsed_1duf 1
256 . . . . . . . . . . . . . . . . -12.00 -16.00 -8.00 . . . 14 . H1' . 14 . H2'' parsed_1duf 1
257 . . . . . . . . . . . . . . . . -9.00 -14.00 -4.00 . . . 3 . H1' . 3 . H2' parsed_1duf 1
258 . . . . . . . . . . . . . . . . -12.0 -15.00 -9.00 . . . 3 . H1' . 3 . H2'' parsed_1duf 1
259 . . . . . . . . . . . . . . . . -9.00 -14.00 -4.00 . . . 15 . H1' . 15 . H2' parsed_1duf 1
260 . . . . . . . . . . . . . . . . -12.00 -15.00 -9.00 . . . 15 . H1' . 15 . H2'' parsed_1duf 1
261 . . . . . . . . . . . . . . . . 2.00 -3.00 7.00 . . . 4 . H1' . 4 . H2' parsed_1duf 1
262 . . . . . . . . . . . . . . . . -5.00 -10.00 0.00 . . . 4 . H1' . 4 . H2'' parsed_1duf 1
263 . . . . . . . . . . . . . . . . 2.00 -3.00 7.00 . . . 16 . H1' . 16 . H2' parsed_1duf 1
264 . . . . . . . . . . . . . . . . -5.00 -10.00 0.00 . . . 16 . H1' . 16 . H2'' parsed_1duf 1
265 . . . . . . . . . . . . . . . . 5.00 0.00 10.00 . . . 5 . H1' . 5 . H2' parsed_1duf 1
266 . . . . . . . . . . . . . . . . -6.00 -11.00 -1.00 . . . 5 . H1' . 5 . H2'' parsed_1duf 1
267 . . . . . . . . . . . . . . . . 5.00 0.00 10.00 . . . 17 . H1' . 17 . H2' parsed_1duf 1
268 . . . . . . . . . . . . . . . . -6.00 -11.00 -1.00 . . . 17 . H1' . 17 . H2'' parsed_1duf 1
269 . . . . . . . . . . . . . . . . 1.00 -4.00 6.00 . . . 6 . H1' . 6 . H2' parsed_1duf 1
270 . . . . . . . . . . . . . . . . -6.00 -11.00 -1.00 . . . 6 . H1' . 6 . H2'' parsed_1duf 1
271 . . . . . . . . . . . . . . . . 1.00 -4.00 6.00 . . . 18 . H1' . 18 . H2' parsed_1duf 1
272 . . . . . . . . . . . . . . . . -6.00 -11.00 -1.00 . . . 18 . H1' . 18 . H2'' parsed_1duf 1
273 . . . . . . . . . . . . . . . . -1.50 -4.50 1.50 . . . 7 . H1' . 7 . H2' parsed_1duf 1
274 . . . . . . . . . . . . . . . . -11.00 -14.00 -8.00 . . . 7 . H1' . 7 . H2'' parsed_1duf 1
275 . . . . . . . . . . . . . . . . -1.50 -4.50 1.50 . . . 19 . H1' . 19 . H2' parsed_1duf 1
276 . . . . . . . . . . . . . . . . -11.00 -14.00 -8.00 . . . 19 . H1' . 19 . H2'' parsed_1duf 1
277 . . . . . . . . . . . . . . . . 2.50 -1.50 6.50 . . . 8 . H1' . 8 . H2' parsed_1duf 1
278 . . . . . . . . . . . . . . . . -6.00 -11.00 -1.00 . . . 8 . H1' . 8 . H2'' parsed_1duf 1
279 . . . . . . . . . . . . . . . . 2.50 -1.50 6.50 . . . 20 . H1' . 20 . H2' parsed_1duf 1
280 . . . . . . . . . . . . . . . . -6.00 -11.00 -1.00 . . . 20 . H1' . 20 . H2'' parsed_1duf 1
281 . . . . . . . . . . . . . . . . 5.00 -2.00 12.00 . . . 10 . H1' . 10 . H2' parsed_1duf 1
282 . . . . . . . . . . . . . . . . -5.50 -10.50 -0.50 . . . 10 . H1' . 10 . H2'' parsed_1duf 1
283 . . . . . . . . . . . . . . . . 5.00 -2.00 12.00 . . . 22 . H1' . 22 . H2' parsed_1duf 1
284 . . . . . . . . . . . . . . . . -5.50 -10.50 -0.50 . . . 22 . H1' . 22 . H2'' parsed_1duf 1
285 . . . . . . . . . . . . . . . . 0.60 -3.40 4.60 . . . 11 . H1' . 11 . H2' parsed_1duf 1
286 . . . . . . . . . . . . . . . . -16.00 -20.00 -12.00 . . . 11 . H1' . 11 . H2'' parsed_1duf 1
287 . . . . . . . . . . . . . . . . 0.60 -3.40 4.60 . . . 23 . H1' . 23 . H2' parsed_1duf 1
288 . . . . . . . . . . . . . . . . -16.00 -20.00 -12.00 . . . 23 . H1' . 23 . H2'' parsed_1duf 1
289 . . . . . . . . . . . . . . . . -1.00 -4.00 2.00 . . . 12 . H1' . 12 . H2' parsed_1duf 1
290 . . . . . . . . . . . . . . . . -16.00 -20.00 -12.00 . . . 12 . H1' . 12 . H2'' parsed_1duf 1
291 . . . . . . . . . . . . . . . . -1.00 -4.00 2.00 . . . 24 . H1' . 24 . H2' parsed_1duf 1
292 . . . . . . . . . . . . . . . . -16.00 -20.00 -12.00 . . . 24 . H1' . 24 . H2'' parsed_1duf 1
293 . . . . . . . . . . . . . . . . 7.00 6.50 27.00 . . . 2 . H1' . 3 . H5' parsed_1duf 1
294 . . . . . . . . . . . . . . . . 7.00 6.50 27.00 . . . 14 . H1' . 15 . H5' parsed_1duf 1
295 . . . . . . . . . . . . . . . . 7.00 7.00 27.00 . . . 6 . H1' . 7 . H5' parsed_1duf 1
296 . . . . . . . . . . . . . . . . 7.00 7.00 27.00 . . . 18 . H1' . 19 . H5' parsed_1duf 1
297 . . . . . . . . . . . . . . . . 7.00 7.00 27.00 . . . 7 . H1' . 8 . H5' parsed_1duf 1
298 . . . . . . . . . . . . . . . . 7.00 7.00 27.00 . . . 19 . H1' . 20 . H5' parsed_1duf 1
299 . . . . . . . . . . . . . . . . 5.00 3.00 7.00 . . . 1 . H1' . 2 . H5' parsed_1duf 1
300 . . . . . . . . . . . . . . . . 5.00 3.00 7.00 . . . 13 . H1' . 14 . H5' parsed_1duf 1
301 . . . . . . . . . . . . . . . . 5.00 3.00 7.00 . . . 3 . H1' . 4 . H5' parsed_1duf 1
302 . . . . . . . . . . . . . . . . 5.00 3.00 7.00 . . . 15 . H1' . 16 . H5' parsed_1duf 1
303 . . . . . . . . . . . . . . . . 6.00 0.00 6.00 . . . 4 . H1' . 5 . H5' parsed_1duf 1
304 . . . . . . . . . . . . . . . . 6.00 0.00 6.00 . . . 16 . H1' . 17 . H5' parsed_1duf 1
305 . . . . . . . . . . . . . . . . 6.00 0.00 6.00 . . . 5 . H1' . 6 . H5' parsed_1duf 1
306 . . . . . . . . . . . . . . . . 6.00 0.00 6.00 . . . 17 . H1' . 18 . H5' parsed_1duf 1
307 . . . . . . . . . . . . . . . . 6.00 0.00 6.00 . . . 8 . H1' . 9 . H5' parsed_1duf 1
308 . . . . . . . . . . . . . . . . 6.00 0.00 6.00 . . . 20 . H1' . 21 . H5' parsed_1duf 1
309 . . . . . . . . . . . . . . . . 0.00 -6.00 6.00 . . . 10 . H1' . 11 . H5' parsed_1duf 1
310 . . . . . . . . . . . . . . . . 0.00 -6.00 6.00 . . . 22 . H1' . 23 . H5' parsed_1duf 1
311 . . . . . . . . . . . . . . . . 0.00 -6.00 6.00 . . . 11 . H1' . 12 . H5' parsed_1duf 1
312 . . . . . . . . . . . . . . . . 0.00 -6.00 6.00 . . . 23 . H1' . 24 . H5' parsed_1duf 1
313 . . . . . . . . . . . . . . . . 6.00 6.00 26.00 . . . 3 . H1' . 3 . H4' parsed_1duf 1
314 . . . . . . . . . . . . . . . . 6.00 6.00 26.00 . . . 15 . H1' . 15 . H4' parsed_1duf 1
315 . . . . . . . . . . . . . . . . 5.00 3.00 7.00 . . . 12 . H1' . 12 . H4' parsed_1duf 1
316 . . . . . . . . . . . . . . . . 5.00 3.00 7.00 . . . 24 . H1' . 24 . H4' parsed_1duf 1
317 . . . . . . . . . . . . . . . . 6.00 0.00 6.00 . . . 11 . H1' . 11 . H4' parsed_1duf 1
318 . . . . . . . . . . . . . . . . 6.00 0.00 6.00 . . . 23 . H1' . 23 . H4' parsed_1duf 1
319 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 1 . H1' . 1 . H4' parsed_1duf 1
320 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 13 . H1' . 13 . H4' parsed_1duf 1
321 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 2 . H1' . 2 . H4' parsed_1duf 1
322 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 14 . H1' . 14 . H4' parsed_1duf 1
323 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 4 . H1' . 4 . H4' parsed_1duf 1
324 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 16 . H1' . 16 . H4' parsed_1duf 1
325 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 5 . H1' . 5 . H4' parsed_1duf 1
326 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 17 . H1' . 17 . H4' parsed_1duf 1
327 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 8 . H1' . 8 . H4' parsed_1duf 1
328 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 20 . H1' . 20 . H4' parsed_1duf 1
329 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 10 . H1' . 10 . H4' parsed_1duf 1
330 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 22 . H1' . 22 . H4' parsed_1duf 1
331 . . . . . . . . . . . . . . . . -9.00 -29.00 -9.00 . . . 6 . H8 . 7 . H5# parsed_1duf 1
332 . . . . . . . . . . . . . . . . -9.00 -29.00 -9.00 . . . 18 . H8 . 19 . H5# parsed_1duf 1
333 . . . . . . . . . . . . . . . . 7.50 7.50 27.50 . . . 7 . H6 . 7 . H5# parsed_1duf 1
334 . . . . . . . . . . . . . . . . 7.50 7.50 27.50 . . . 19 . H6 . 19 . H5# parsed_1duf 1
335 . . . . . . . . . . . . . . . . -9.00 -29.00 -9.00 . . . 7 . H6 . 8 . H5# parsed_1duf 1
336 . . . . . . . . . . . . . . . . -9.00 -29.00 -9.00 . . . 19 . H6 . 20 . H5# parsed_1duf 1
337 . . . . . . . . . . . . . . . . 6.00 6.00 26.00 . . . 8 . H6 . 8 . H5# parsed_1duf 1
338 . . . . . . . . . . . . . . . . 6.00 6.00 26.00 . . . 20 . H6 . 20 . H5# parsed_1duf 1
339 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 11 . H2' . 12 . H8 parsed_1duf 1
340 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 23 . H2' . 24 . H8 parsed_1duf 1
341 . . . . . . . . . . . . . . . . -5.50 -8.00 -3.00 . . . 11 . H2'' . 12 . H8 parsed_1duf 1
342 . . . . . . . . . . . . . . . . -5.50 -8.00 -3.00 . . . 23 . H2'' . 24 . H8 parsed_1duf 1
343 . . . . . . . . . . . . . . . . 6.00 6.00 26.00 . . . 6 . H2' . 6 . H8 parsed_1duf 1
344 . . . . . . . . . . . . . . . . 6.00 6.00 26.00 . . . 18 . H2' . 18 . H8 parsed_1duf 1
345 . . . . . . . . . . . . . . . . 5.00 2.00 8.00 . . . 4 . H2'' . 5 . H8 parsed_1duf 1
346 . . . . . . . . . . . . . . . . 5.00 2.00 8.00 . . . 16 . H2'' . 17 . H8 parsed_1duf 1
347 . . . . . . . . . . . . . . . . 8.00 8.00 28.00 . . . 4 . H2' . 4 . H8 parsed_1duf 1
348 . . . . . . . . . . . . . . . . 8.00 8.00 28.00 . . . 16 . H2' . 16 . H8 parsed_1duf 1
349 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 4 . H2'' . 4 . H8 parsed_1duf 1
350 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 16 . H2'' . 16 . H8 parsed_1duf 1
351 . . . . . . . . . . . . . . . . -6.00 -26.00 -6.00 . . . 3 . H2'' . 4 . H8 parsed_1duf 1
352 . . . . . . . . . . . . . . . . -6.00 -26.00 -6.00 . . . 15 . H2'' . 16 . H8 parsed_1duf 1
353 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 3 . H2' . 4 . H8 parsed_1duf 1
354 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 15 . H2' . 16 . H8 parsed_1duf 1
355 . . . . . . . . . . . . . . . . 5.00 5.00 25.00 . . . 1 . H2' . 1 . H6 parsed_1duf 1
356 . . . . . . . . . . . . . . . . 5.00 5.00 25.00 . . . 13 . H2' . 13 . H6 parsed_1duf 1
357 . . . . . . . . . . . . . . . . 4.00 0.00 4.00 . . . 1 . H2'' . 1 . H6 parsed_1duf 1
358 . . . . . . . . . . . . . . . . 4.00 0.00 4.00 . . . 13 . H2'' . 13 . H6 parsed_1duf 1
359 . . . . . . . . . . . . . . . . 5.00 0.00 5.00 . . . 8 . H2' . 8 . H6 parsed_1duf 1
360 . . . . . . . . . . . . . . . . 5.00 0.00 5.00 . . . 20 . H2' . 20 . H6 parsed_1duf 1
361 . . . . . . . . . . . . . . . . -5.00 -8.00 -3.00 . . . 7 . H2' . 8 . H6 parsed_1duf 1
362 . . . . . . . . . . . . . . . . -5.00 -8.00 -3.00 . . . 19 . H2' . 20 . H6 parsed_1duf 1
363 . . . . . . . . . . . . . . . . -5.00 -5.00 0.00 . . . 11 . H2' . 11 . H6 parsed_1duf 1
364 . . . . . . . . . . . . . . . . -5.00 -5.00 0.00 . . . 23 . H2' . 23 . H6 parsed_1duf 1
365 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 11 . H2'' . 11 . H6 parsed_1duf 1
366 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 23 . H2'' . 23 . H6 parsed_1duf 1
367 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 10 . H2' . 11 . H6 parsed_1duf 1
368 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 22 . H2' . 23 . H6 parsed_1duf 1
369 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 10 . H2'' . 11 . H6 parsed_1duf 1
370 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 22 . H2'' . 23 . H6 parsed_1duf 1
371 . . . . . . . . . . . . . . . . 7.00 4.00 10.00 . . . 3 . H2' . 3 . H6 parsed_1duf 1
372 . . . . . . . . . . . . . . . . 7.00 4.00 10.00 . . . 15 . H2' . 15 . H6 parsed_1duf 1
373 . . . . . . . . . . . . . . . . 0.00 -6.00 6.00 . . . 3 . H2'' . 3 . H6 parsed_1duf 1
374 . . . . . . . . . . . . . . . . 0.00 -6.00 6.00 . . . 15 . H2'' . 15 . H6 parsed_1duf 1
375 . . . . . . . . . . . . . . . . 0.00 -6.00 6.00 . . . 2 . H2' . 3 . H6 parsed_1duf 1
376 . . . . . . . . . . . . . . . . 0.00 -6.00 6.00 . . . 14 . H2' . 15 . H6 parsed_1duf 1
377 . . . . . . . . . . . . . . . . 0.00 -6.00 6.00 . . . 2 . H2'' . 3 . H6 parsed_1duf 1
378 . . . . . . . . . . . . . . . . 0.00 -6.00 6.00 . . . 14 . H2'' . 15 . H6 parsed_1duf 1
379 . . . . . . . . . . . . . . . . -7.00 -27.00 -7.00 . . . 6 . H2'' . 7 . H6 parsed_1duf 1
380 . . . . . . . . . . . . . . . . -7.00 -27.00 -7.00 . . . 18 . H2'' . 19 . H6 parsed_1duf 1
381 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 7 . H2'' . 7 . H6 parsed_1duf 1
382 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 19 . H2'' . 19 . H6 parsed_1duf 1
383 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 6 . H2' . 7 . H6 parsed_1duf 1
384 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 18 . H2' . 19 . H6 parsed_1duf 1
385 . . . . . . . . . . . . . . . . 4.00 3.00 7.00 . . . 7 . H2' . 7 . H6 parsed_1duf 1
386 . . . . . . . . . . . . . . . . 4.00 3.00 7.00 . . . 19 . H2' . 19 . H6 parsed_1duf 1
387 . . . . . . . . . . . . . . . . -5.00 -25.00 -5.00 . . . 4 . H1' . 5 . H8 parsed_1duf 1
388 . . . . . . . . . . . . . . . . -5.00 -25.00 -5.00 . . . 16 . H1' . 17 . H8 parsed_1duf 1
389 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 6 . H1' . 6 . H8 parsed_1duf 1
390 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 18 . H1' . 18 . H8 parsed_1duf 1
391 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 2 . H8 . 3 . H5 parsed_1duf 1
392 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 14 . H8 . 15 . H5 parsed_1duf 1
393 . . . . . . . . . . . . . . . . -6.00 -8.00 -4.00 . . . 10 . H8 . 11 . H5 parsed_1duf 1
394 . . . . . . . . . . . . . . . . -6.00 -8.00 -4.00 . . . 22 . H8 . 23 . H5 parsed_1duf 1
395 . . . . . . . . . . . . . . . . 0.00 -4.00 4.00 . . . 4 . H1' . 4 . H8 parsed_1duf 1
396 . . . . . . . . . . . . . . . . 0.00 -4.00 4.00 . . . 16 . H1' . 16 . H8 parsed_1duf 1
397 . . . . . . . . . . . . . . . . -6.00 -8.00 -4.00 . . . 3 . H1' . 4 . H8 parsed_1duf 1
398 . . . . . . . . . . . . . . . . -6.00 -8.00 -4.00 . . . 15 . H1' . 16 . H8 parsed_1duf 1
399 . . . . . . . . . . . . . . . . 0.00 -4.00 4.00 . . . 8 . H1' . 8 . H6 parsed_1duf 1
400 . . . . . . . . . . . . . . . . 0.00 -4.00 4.00 . . . 20 . H1' . 20 . H6 parsed_1duf 1
401 . . . . . . . . . . . . . . . . -4.50 -6.00 -3.00 . . . 7 . H1' . 8 . H6 parsed_1duf 1
402 . . . . . . . . . . . . . . . . -4.50 -6.00 -3.00 . . . 19 . H1' . 20 . H6 parsed_1duf 1
403 . . . . . . . . . . . . . . . . -6.00 -8.00 -4.00 . . . 2 . H1' . 3 . H6 parsed_1duf 1
404 . . . . . . . . . . . . . . . . -6.00 -8.00 -4.00 . . . 14 . H1' . 15 . H6 parsed_1duf 1
405 . . . . . . . . . . . . . . . . -7.50 -10.00 -5.00 . . . 6 . H1' . 7 . H6 parsed_1duf 1
406 . . . . . . . . . . . . . . . . -7.50 -10.00 -5.00 . . . 18 . H1' . 19 . H6 parsed_1duf 1
407 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 7 . H1' . 7 . H6 parsed_1duf 1
408 . . . . . . . . . . . . . . . . 0.00 -5.00 5.00 . . . 19 . H1' . 19 . H6 parsed_1duf 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1
;
dipolar_ribose_nico.tbl
sugars CH dipolar class I
First strand DC correct. version
;
1 1 4 2 parsed_1duf 1
2 "2nd strand" 335 1 337 2 parsed_1duf 1
3
;
dipolar_base.tbl
dipolar CH base class I
First strand
Base dipolar coupling
;
669 1 674 2 parsed_1duf 1
4
;
2nd strand
Base dipolar coupling
;
763 1 765 2 parsed_1duf 1
5
;
dipolar_imino.tbl
base imino dipolar
First strand
Base dipolar coupling
;
855 1 859 2 parsed_1duf 1
6 "opposite strand" 896 1 898 2 parsed_1duf 1
7
;
dipolar_methyl.tbl
base methyl dipolar
First strand
Base dipolar coupling
;
938 1 942 2 parsed_1duf 1
8 "2nd strand" 958 1 960 2 parsed_1duf 1
9
;
dipolar_ribose_add.tbl
sugars CH dipolar class II
residual dipolar restraints
from less trusting values
shuld be 1/8 contribution to the force
;
979 1 984 2 parsed_1duf 1
10
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 3 and name C4' )
( resid 3 and name H4' ) 5.03 0.2000 0.2000
The new value is checked by looking at the spectrum of the
overlapping peaks and carefully measuring their distance
with Bax
;
1022 1 1030 10 parsed_1duf 1
11
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 11 and name C4' )
( resid 11 and name H4' ) 12.26 0.2000 0.2000
The new value is checked by looking at the spectrum of the
overlapping peaks and carefully measuring their distance
with Bax
;
1073 1 1082 10 parsed_1duf 1
12 "2nd strand" 1098 1 1100 2 parsed_1duf 1
13
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 15 and name C4' )
( resid 15 and name H4' ) 5.03 0.2000 0.2000
The new value is checked by looking at the spectrum of the
overlapping peaks and carefully measuring their distance
with Bax
;
1138 1 1147 10 parsed_1duf 1
14
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 23 and name C4' )
( resid 23 and name H4' ) 12.26 0.2000 0.2000
The new value is checked by looking at the spectrum of the
overlapping peaks and carefully measuring their distance
with Bax
;
1191 1 1200 10 parsed_1duf 1
15
;
dipolar_c2.tbl
sugar C2'-H2'' dipolar class II
C2'-H2" residual dipolar restraints
;
1217 1 1221 2 parsed_1duf 1
16 'C2'-H2" residual dipolar restraints 2nd Strand' 1294 1 1296 2 parsed_1duf 1
17
;
dipolar_c5_nico.tbl
sugars C5'-H5' dipolar class II
C5'-H5" residual dipolar restraints
;
1371 1 1375 2 parsed_1duf 1
18 "2nd Strand" 1440 1 1442 2 parsed_1duf 1
19
;
dipolar_base_add.tbl
base Ch dipolar class II
First strand
Base dipolar coupling
;
1508 1 1512 2 parsed_1duf 1
20
;
2nd strand
Base dipolar coupling
;
1556 1 1558 2 parsed_1duf 1
21
;
HH_dipolar.tbl
proton-proton dipolar no sign
Bax's HH COSY data
! H1'(i ) to H5'(i+1 )
strong
|D| > 7
medium
3 < D < 7
weak
! H1' to H4'
strong
medium
weak
missing
;
1603 1 1640 2 parsed_1duf 1
22
;
HH_dipolar_sign.tbl
proton-proton dipolars with sign
Bax's HH COSY data
sign matters
! H2' to H3'
;
1719 1 1737 2 parsed_1duf 1
23
;
sign matters
! from H2'' to H3'
;
1851 1 1853 2 parsed_1duf 1
24 "!H1' to H2'/H2''" 1967 1 1969 2 parsed_1duf 1
25
;
HH_dipolar_sign2.tbl
proton-proton dipolar whose signs were
determined after the structure was
refined
Bax's HH COSY data
! H1'(i ) to H5'(i+1 )
strong
|D| > 7
;
2283 1 2292 10 parsed_1duf 1
26
;
medium
3 < D < 7
;
2337 1 2338 12 parsed_1duf 1
27 weak 2368 1 2369 2 parsed_1duf 1
28
;
! H1' to H4'
strong
;
2442 1 2443 8 parsed_1duf 1
29 medium 2459 1 2460 2 parsed_1duf 1
30 weak 2475 1 2476 2 parsed_1duf 1
31 missing 2491 1 2492 2 parsed_1duf 1
stop_
save_
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