NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
476175 |
1kr8   |
5282 | cing | 2-parsed | STAR | dihedral angle | 37 |
data_1kr8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1kr8
_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_1kr8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1kr8
_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 1kr8 "Master copy" parsed_1kr8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1kr8
_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 1kr8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1kr8 1
1 1kr8.mr . . AMBER 2 distance NOE simple 10 parsed_1kr8 1
1 1kr8.mr . . AMBER 3 distance NOE simple 89 parsed_1kr8 1
1 1kr8.mr . . AMBER 4 "dihedral angle" "Not applicable" "Not applicable" 37 parsed_1kr8 1
1 1kr8.mr . . AMBER 5 distance NOE simple 0 parsed_1kr8 1
1 1kr8.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1kr8 1
1 1kr8.mr . . AMBER 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1kr8 1
1 1kr8.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1kr8 1
1 1kr8.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1kr8 1
stop_
save_
save_AMBER_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1kr8
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . 1kr8_ambr001 1 G C4' 1kr8_ambr001 1 G C3' 1kr8_ambr001 1 G O3' 1kr8_ambr001 2 C P parsed_1kr8 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . 1kr8_ambr001 2 C C4' 1kr8_ambr001 2 C C3' 1kr8_ambr001 2 C O3' 1kr8_ambr001 3 G P parsed_1kr8 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . 1kr8_ambr001 4 A C4' 1kr8_ambr001 4 A C3' 1kr8_ambr001 4 A O3' 1kr8_ambr001 5 A P parsed_1kr8 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . 1kr8_ambr001 5 A C4' 1kr8_ambr001 5 A C3' 1kr8_ambr001 5 A O3' 1kr8_ambr001 6 G P parsed_1kr8 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . 1kr8_ambr001 6 G C4' 1kr8_ambr001 6 G C3' 1kr8_ambr001 6 G O3' 1kr8_ambr001 7 C P parsed_1kr8 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . 1kr8_ambr001 2 C P 1kr8_ambr001 2 C O5' 1kr8_ambr001 2 C C5' 1kr8_ambr001 2 C C4' parsed_1kr8 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . 1kr8_ambr001 3 G P 1kr8_ambr001 3 G O5' 1kr8_ambr001 3 G C5' 1kr8_ambr001 3 G C4' parsed_1kr8 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . 1kr8_ambr001 4 A P 1kr8_ambr001 4 A O5' 1kr8_ambr001 4 A C5' 1kr8_ambr001 4 A C4' parsed_1kr8 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . 1kr8_ambr001 5 A P 1kr8_ambr001 5 A O5' 1kr8_ambr001 5 A C5' 1kr8_ambr001 5 A C4' parsed_1kr8 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . 1kr8_ambr001 6 G P 1kr8_ambr001 6 G O5' 1kr8_ambr001 6 G C5' 1kr8_ambr001 6 G C4' parsed_1kr8 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . 1kr8_ambr001 7 C P 1kr8_ambr001 7 C O5' 1kr8_ambr001 7 C C5' 1kr8_ambr001 7 C C4' parsed_1kr8 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 85.0 . 1kr8_ambr001 2 C O5' 1kr8_ambr001 2 C C5' 1kr8_ambr001 2 C C4' 1kr8_ambr001 2 C C3' parsed_1kr8 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 85.0 . 1kr8_ambr001 3 G O5' 1kr8_ambr001 3 G C5' 1kr8_ambr001 3 G C4' 1kr8_ambr001 3 G C3' parsed_1kr8 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 85.0 . 1kr8_ambr001 4 A O5' 1kr8_ambr001 4 A C5' 1kr8_ambr001 4 A C4' 1kr8_ambr001 4 A C3' parsed_1kr8 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . 1kr8_ambr001 5 A O5' 1kr8_ambr001 5 A C5' 1kr8_ambr001 5 A C4' 1kr8_ambr001 5 A C3' parsed_1kr8 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 85.0 . 1kr8_ambr001 6 G O5' 1kr8_ambr001 6 G C5' 1kr8_ambr001 6 G C4' 1kr8_ambr001 6 G C3' parsed_1kr8 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 85.0 . 1kr8_ambr001 7 C O5' 1kr8_ambr001 7 C C5' 1kr8_ambr001 7 C C4' 1kr8_ambr001 7 C C3' parsed_1kr8 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 342.0 359.1 . 1kr8_ambr001 1 G C4' 1kr8_ambr001 1 G O4' 1kr8_ambr001 1 G C1' 1kr8_ambr001 1 G C2' parsed_1kr8 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.4 30.8 . 1kr8_ambr001 1 G O4' 1kr8_ambr001 1 G C1' 1kr8_ambr001 1 G C2' 1kr8_ambr001 1 G C3' parsed_1kr8 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 318.8 331.3 . 1kr8_ambr001 1 G C1' 1kr8_ambr001 1 G C2' 1kr8_ambr001 1 G C3' 1kr8_ambr001 1 G C4' parsed_1kr8 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18.1 39.7 . 1kr8_ambr001 1 G C2' 1kr8_ambr001 1 G C3' 1kr8_ambr001 1 G C4' 1kr8_ambr001 1 G O4' parsed_1kr8 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 336.0 359.4 . 1kr8_ambr001 1 G C3' 1kr8_ambr001 1 G C4' 1kr8_ambr001 1 G O4' 1kr8_ambr001 1 G C1' parsed_1kr8 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 316.8 328.9 . 1kr8_ambr001 2 C C4' 1kr8_ambr001 2 C O4' 1kr8_ambr001 2 C C1' 1kr8_ambr001 2 C C2' parsed_1kr8 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 38.3 42.2 . 1kr8_ambr001 2 C O4' 1kr8_ambr001 2 C C1' 1kr8_ambr001 2 C C2' 1kr8_ambr001 2 C C3' parsed_1kr8 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 328.0 335.0 . 1kr8_ambr001 2 C C1' 1kr8_ambr001 2 C C2' 1kr8_ambr001 2 C C3' 1kr8_ambr001 2 C C4' parsed_1kr8 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -1.6 12.7 . 1kr8_ambr001 2 C C2' 1kr8_ambr001 2 C C3' 1kr8_ambr001 2 C C4' 1kr8_ambr001 2 C O4' parsed_1kr8 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.4 27.7 . 1kr8_ambr001 2 C C3' 1kr8_ambr001 2 C C4' 1kr8_ambr001 2 C O4' 1kr8_ambr001 2 C C1' parsed_1kr8 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 332.2 350.1 . 1kr8_ambr001 3 G C4' 1kr8_ambr001 3 G O4' 1kr8_ambr001 3 G C1' 1kr8_ambr001 3 G C2' parsed_1kr8 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31.6 41.0 . 1kr8_ambr001 3 G O4' 1kr8_ambr001 3 G C1' 1kr8_ambr001 3 G C2' 1kr8_ambr001 3 G C3' parsed_1kr8 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 318.0 325.6 . 1kr8_ambr001 3 G C1' 1kr8_ambr001 3 G C2' 1kr8_ambr001 3 G C3' 1kr8_ambr001 3 G C4' parsed_1kr8 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.3 35.8 . 1kr8_ambr001 3 G C2' 1kr8_ambr001 3 G C3' 1kr8_ambr001 3 G C4' 1kr8_ambr001 3 G O4' parsed_1kr8 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -16.0 4.0 . 1kr8_ambr001 3 G C3' 1kr8_ambr001 3 G C4' 1kr8_ambr001 3 G O4' 1kr8_ambr001 3 G C1' parsed_1kr8 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 320.4 335.0 . 1kr8_ambr001 4 A C4' 1kr8_ambr001 4 A O4' 1kr8_ambr001 4 A C1' 1kr8_ambr001 4 A C2' parsed_1kr8 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 36.1 42.0 . 1kr8_ambr001 4 A O4' 1kr8_ambr001 4 A C1' 1kr8_ambr001 4 A C2' 1kr8_ambr001 4 A C3' parsed_1kr8 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 323.3 334.5 . 1kr8_ambr001 4 A C1' 1kr8_ambr001 4 A C2' 1kr8_ambr001 4 A C3' 1kr8_ambr001 4 A C4' parsed_1kr8 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1.0 18.0 . 1kr8_ambr001 4 A C2' 1kr8_ambr001 4 A C3' 1kr8_ambr001 4 A C4' 1kr8_ambr001 4 A O4' parsed_1kr8 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4.3 23.9 . 1kr8_ambr001 4 A C3' 1kr8_ambr001 4 A C4' 1kr8_ambr001 4 A O4' 1kr8_ambr001 4 A C1' parsed_1kr8 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
########################################################################
torsions
1 GUA EPSLN: (1 DG5 C4')-(1 DG5 C3')-(1 DG5 O3')-(2 DC P) 150.0 210.0
;
1 1 3 73 parsed_1kr8 1
2 "2 CYT EPSLN: (2 DC C4')-(2 DC C3')-(2 DC O3')-(3 DG P) 150.0 210.0" 8 1 8 70 parsed_1kr8 1
3 "4 ADE EPSLN: (4 DA C4')-(4 DA C3')-(4 DA O3')-(5 DA P) 150.0 210.0" 13 1 13 70 parsed_1kr8 1
4 "5 ADE EPSLN: (5 DA C4')-(5 DA C3')-(5 DA O3')-(6 DG P) 150.0 210.0" 18 1 18 70 parsed_1kr8 1
5 "6 GUA EPSLN: (6 DG C4')-(6 DG C3')-(6 DG O3')-(7 DC3 P) 150.0 210.0" 23 1 23 71 parsed_1kr8 1
6 "2 CYT BETA: (2 DC P)-(2 DC O5')-(2 DC C5')-(2 DC C4') 150.0 210.0" 28 1 28 69 parsed_1kr8 1
7 "3 GUA BETA: (3 DG P)-(3 DG O5')-(3 DG C5')-(3 DG C4') 150.0 210.0" 33 1 33 69 parsed_1kr8 1
8 "4 ADE BETA: (4 DA P)-(4 DA O5')-(4 DA C5')-(4 DA C4') 150.0 210.0" 38 1 38 69 parsed_1kr8 1
9 "5 ADE BETA: (5 DA P)-(5 DA O5')-(5 DA C5')-(5 DA C4') 150.0 210.0" 43 1 43 69 parsed_1kr8 1
10 "6 GUA BETA: (6 DG P)-(6 DG O5')-(6 DG C5')-(6 DG C4') 150.0 210.0" 48 1 48 69 parsed_1kr8 1
11 "7 CYT BETA: (7 DC3 P)-(7 DC3 O5')-(7 DC3 C5')-(7 DC3 C4') 150.0 210.0" 53 1 53 73 parsed_1kr8 1
12 "2 CYT GAMMA: (2 DC O5')-(2 DC C5')-(2 DC C4')-(2 DC C3') 25.0 85.0" 58 1 58 72 parsed_1kr8 1
13 "3 GUA GAMMA: (3 DG O5')-(3 DG C5')-(3 DG C4')-(3 DG C3') 25.0 85.0" 63 1 63 72 parsed_1kr8 1
14 "4 ADE GAMMA: (4 DA O5')-(4 DA C5')-(4 DA C4')-(4 DA C3') 25.0 85.0" 68 1 68 72 parsed_1kr8 1
15 "5 ADE GAMMA: (5 DA O5')-(5 DA C5')-(5 DA C4')-(5 DA C3') 130.0 230.0" 73 1 73 72 parsed_1kr8 1
16 "6 GUA GAMMA: (6 DG O5')-(6 DG C5')-(6 DG C4')-(6 DG C3') 25.0 85.0" 78 1 78 72 parsed_1kr8 1
17 "7 CYT GAMMA: (7 DC3 O5')-(7 DC3 C5')-(7 DC3 C4')-(7 DC3 C3') 25.0 85.0" 83 1 83 76 parsed_1kr8 1
18 "1 GUA NU0: (1 DG5 C4')-(1 DG5 O4')-(1 DG5 C1')-(1 DG5 C2') 342.0 359.1" 88 1 88 74 parsed_1kr8 1
19 "1 GUA NU1: (1 DG5 O4')-(1 DG5 C1')-(1 DG5 C2')-(1 DG5 C3') 25.4 30.8" 93 1 93 74 parsed_1kr8 1
20 "1 GUA NU2: (1 DG5 C1')-(1 DG5 C2')-(1 DG5 C3')-(1 DG5 C4') 318.8 331.3" 98 1 98 74 parsed_1kr8 1
21 "1 GUA NU3: (1 DG5 C2')-(1 DG5 C3')-(1 DG5 C4')-(1 DG5 O4') 18.1 39.7" 103 1 103 74 parsed_1kr8 1
22 "1 GUA NU4: (1 DG5 C3')-(1 DG5 C4')-(1 DG5 O4')-(1 DG5 C1') 336.0 359.4" 108 1 108 74 parsed_1kr8 1
23 "2 CYT NU0: (2 DC C4')-(2 DC O4')-(2 DC C1')-(2 DC C2') 316.8 328.9" 113 1 113 70 parsed_1kr8 1
24 "2 CYT NU1: (2 DC O4')-(2 DC C1')-(2 DC C2')-(2 DC C3') 38.3 42.2" 118 1 118 70 parsed_1kr8 1
25 "2 CYT NU2: (2 DC C1')-(2 DC C2')-(2 DC C3')-(2 DC C4') 328.0 335.0" 123 1 123 70 parsed_1kr8 1
26 "2 CYT NU3: (2 DC C2')-(2 DC C3')-(2 DC C4')-(2 DC O4') -1.6 12.7" 128 1 128 70 parsed_1kr8 1
27 "2 CYT NU4: (2 DC C3')-(2 DC C4')-(2 DC O4')-(2 DC C1') 11.4 27.7" 133 1 133 70 parsed_1kr8 1
28 "3 GUA NU0: (3 DG C4')-(3 DG O4')-(3 DG C1')-(3 DG C2') 332.2 350.1" 138 1 138 70 parsed_1kr8 1
29 "3 GUA NU1: (3 DG O4')-(3 DG C1')-(3 DG C2')-(3 DG C3') 31.6 41.0" 143 1 143 70 parsed_1kr8 1
30 "3 GUA NU2: (3 DG C1')-(3 DG C2')-(3 DG C3')-(3 DG C4') 318.0 325.6" 148 1 148 70 parsed_1kr8 1
31 "3 GUA NU3: (3 DG C2')-(3 DG C3')-(3 DG C4')-(3 DG O4') 21.3 35.8" 153 1 153 70 parsed_1kr8 1
32 "3 GUA NU4: (3 DG C3')-(3 DG C4')-(3 DG O4')-(3 DG C1') -16.0 4.0" 158 1 158 70 parsed_1kr8 1
33 "4 ADE NU0: (4 DA C4')-(4 DA O4')-(4 DA C1')-(4 DA C2') 320.4 335.0" 163 1 163 70 parsed_1kr8 1
34 "4 ADE NU1: (4 DA O4')-(4 DA C1')-(4 DA C2')-(4 DA C3') 36.1 42.0" 168 1 168 70 parsed_1kr8 1
35 "4 ADE NU2: (4 DA C1')-(4 DA C2')-(4 DA C3')-(4 DA C4') 323.3 334.5" 173 1 173 70 parsed_1kr8 1
36 "4 ADE NU3: (4 DA C2')-(4 DA C3')-(4 DA C4')-(4 DA O4') 1.0 18.0" 178 1 178 70 parsed_1kr8 1
37 "4 ADE NU4: (4 DA C3')-(4 DA C4')-(4 DA O4')-(4 DA C1') 4.3 23.9" 183 1 183 70 parsed_1kr8 1
stop_
save_
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