NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage program type subtype item_count
28789 171d cing 2-parsed STAR entry full 120


data_171d_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_171d 
    _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_171d   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_171d 
    _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   171d   "Master copy"    parsed_171d   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_171d 
    _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   171d.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_171d   1   
        1   171d.mr   .   .    XPLOR/CNS     2   "dihedral angle"          "Not applicable"    "Not applicable"    120   parsed_171d   1   
        1   171d.mr   .   .    n/a           3    comment                  "Not applicable"    "Not applicable"      0   parsed_171d   1   
        1   171d.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_171d   1   
    stop_

save_


save_MR_file_comment_1
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_171d 
    _Org_constr_file_comment.ID                  1 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            1 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
*HEADER   DEOXYRIBONUCLEIC ACID                   14-MAR-94   171D      171D   2
*COMPND   DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')            171D   3
*COMPND  2 SELF-COMPLEMENTARY CONTROL DODECAMER DUPLEX                  171D   4
*COMPND  3 (NMR, MINIMIZED AVERAGE STRUCTURE)                           171D   5
*SOURCE   SYNTHETIC                                                     171D   6
*EXPDTA   NMR                                                           171D   7
*AUTHOR   B.I.SCHWEITZER,T.MIKITA,G.W.KELLOGG,K.H.GARDNER,              171D   8
*AUTHOR  2 G.P.BEARDSLEY                                                171D   9
*REVDAT  1   31-JUL-94 171D    0                                        171D  10



remarks X-PLOR sugar dihedral restraint file for cytosine arabinoside
substituted DNA
remarks 5'-d(*CP*GP*CP*GP*AP*AP*TP*TP*)ara(CP*)d(GP*CP*G)-3'

set message=off echo=off end
!C1, G12: P = 72-100
!C3,C11: P = 110-144
!A5,A6,T7,T8: P = 120-162
!G2,G4,G10: P = 144-162
!ARA9: P = 0-70

;

save_


save_CNS/XPLOR_dihedral_2
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_171d 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            2 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -36.8    -30.8    .   .    1   .   C4'   .    1   .   O4'   .    1   .   C1'   .    1   .   C2'   parsed_171d   1   
          2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -29.8    -21.8    .   .    2   .   C4'   .    2   .   O4'   .    2   .   C1'   .    2   .   C2'   parsed_171d   1   
          3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -38.5    -30.5    .   .    3   .   C4'   .    3   .   O4'   .    3   .   C1'   .    3   .   C2'   parsed_171d   1   
          4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -29.8    -21.8    .   .    4   .   C4'   .    4   .   O4'   .    4   .   C1'   .    4   .   C2'   parsed_171d   1   
          5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -36.5    -22.5    .   .    5   .   C4'   .    5   .   O4'   .    5   .   C1'   .    5   .   C2'   parsed_171d   1   
          6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -36.5    -22.5    .   .    6   .   C4'   .    6   .   O4'   .    6   .   C1'   .    6   .   C2'   parsed_171d   1   
          7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -36.5    -22.5    .   .    7   .   C4'   .    7   .   O4'   .    7   .   C1'   .    7   .   C2'   parsed_171d   1   
          8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -36.5    -22.5    .   .    8   .   C4'   .    8   .   O4'   .    8   .   C1'   .    8   .   C2'   parsed_171d   1   
          9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -24.6      9.4    .   .    9   .   C4'   .    9   .   O4'   .    9   .   C1'   .    9   .   C2'   parsed_171d   1   
         10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -29.8    -21.8    .   .   10   .   C4'   .   10   .   O4'   .   10   .   C1'   .   10   .   C2'   parsed_171d   1   
         11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -38.5    -30.5    .   .   11   .   C4'   .   11   .   O4'   .   11   .   C1'   .   11   .   C2'   parsed_171d   1   
         12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -36.8    -30.8    .   .   12   .   C4'   .   12   .   O4'   .   12   .   C1'   .   12   .   C2'   parsed_171d   1   
         13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.3     26.3    .   .    1   .   O4'   .    1   .   C1'   .    1   .   C2'   .    1   .   C3'   parsed_171d   1   
         14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    35.0     37.0    .   .    2   .   O4'   .    2   .   C1'   .    2   .   C2'   .    2   .   C3'   parsed_171d   1   
         15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    31.9     37.9    .   .    3   .   O4'   .    3   .   C1'   .    3   .   C2'   .    3   .   C3'   parsed_171d   1   
         16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    35.0     37.0    .   .    4   .   O4'   .    4   .   C1'   .    4   .   C2'   .    4   .   C3'   parsed_171d   1   
         17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    35.5     37.5    .   .    5   .   O4'   .    5   .   C1'   .    5   .   C2'   .    5   .   C3'   parsed_171d   1   
         18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    35.5     37.5    .   .    6   .   O4'   .    6   .   C1'   .    6   .   C2'   .    6   .   C3'   parsed_171d   1   
         19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    35.5     37.5    .   .    7   .   O4'   .    7   .   C1'   .    7   .   C2'   .    7   .   C3'   parsed_171d   1   
         20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    35.5     37.5    .   .    8   .   O4'   .    8   .   C1'   .    8   .   C2'   .    8   .   C3'   parsed_171d   1   
         21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -31.8      2.2    .   .    9   .   O4'   .    9   .   C1'   .    9   .   C2'   .    9   .   C3'   parsed_171d   1   
         22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    35.0     37.0    .   .   10   .   O4'   .   10   .   C1'   .   10   .   C2'   .   10   .   C3'   parsed_171d   1   
         23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    31.9     37.9    .   .   11   .   O4'   .   11   .   C1'   .   11   .   C2'   .   11   .   C3'   parsed_171d   1   
         24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.3     26.3    .   .   12   .   O4'   .   12   .   C1'   .   12   .   C2'   .   12   .   C3'   parsed_171d   1   
         25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.45    11.55   .   .    1   .   C1'   .    1   .   C2'   .    1   .   C3'   .    1   .   C4'   parsed_171d   1   
         26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -35.5    -29.5    .   .    2   .   C1'   .    2   .   C2'   .    2   .   C3'   .    2   .   C4'   parsed_171d   1   
         27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -30.0    -14.0    .   .    3   .   C1'   .    3   .   C2'   .    3   .   C3'   .    3   .   C4'   parsed_171d   1   
         28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -35.5    -29.5    .   .    4   .   C1'   .    4   .   C2'   .    4   .   C3'   .    4   .   C4'   parsed_171d   1   
         29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -37.5    -21.5    .   .    5   .   C1'   .    5   .   C2'   .    5   .   C3'   .    5   .   C4'   parsed_171d   1   
         30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -37.5    -21.5    .   .    6   .   C1'   .    6   .   C2'   .    6   .   C3'   .    6   .   C4'   parsed_171d   1   
         31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -37.5    -21.5    .   .    7   .   C1'   .    7   .   C2'   .    7   .   C3'   .    7   .   C4'   parsed_171d   1   
         32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -37.5    -21.5    .   .    8   .   C1'   .    8   .   C2'   .    8   .   C3'   .    8   .   C4'   parsed_171d   1   
         33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    22.6     40.6    .   .    9   .   C1'   .    9   .   C2'   .    9   .   C3'   .    9   .   C4'   parsed_171d   1   
         34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -35.5    -29.5    .   .   10   .   C1'   .   10   .   C2'   .   10   .   C3'   .   10   .   C4'   parsed_171d   1   
         35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -30.0    -14.0    .   .   11   .   C1'   .   11   .   C2'   .   11   .   C3'   .   11   .   C4'   parsed_171d   1   
         36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.45    11.55   .   .   12   .   C1'   .   12   .   C2'   .   12   .   C3'   .   12   .   C4'   parsed_171d   1   
         37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -29.5    -17.5    .   .    1   .   C2'   .    1   .   C3'   .    1   .   C4'   .    1   .   O4'   parsed_171d   1   
         38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.5     21.5    .   .    2   .   C2'   .    2   .   C3'   .    2   .   C4'   .    2   .   O4'   parsed_171d   1   
         39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.40    10.60   .   .    3   .   C2'   .    3   .   C3'   .    3   .   C4'   .    3   .   O4'   parsed_171d   1   
         40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.5     21.5    .   .    4   .   C2'   .    4   .   C3'   .    4   .   C4'   .    4   .   O4'   parsed_171d   1   
         41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.3     19.3    .   .    5   .   C2'   .    5   .   C3'   .    5   .   C4'   .    5   .   O4'   parsed_171d   1   
         42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.3     19.3    .   .    6   .   C2'   .    6   .   C3'   .    6   .   C4'   .    6   .   O4'   parsed_171d   1   
         43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.3     19.3    .   .    7   .   C2'   .    7   .   C3'   .    7   .   C4'   .    7   .   O4'   parsed_171d   1   
         44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.3     19.3    .   .    8   .   C2'   .    8   .   C3'   .    8   .   C4'   .    8   .   O4'   parsed_171d   1   
         45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -38.3    -34.3    .   .    9   .   C2'   .    9   .   C3'   .    9   .   C4'   .    9   .   O4'   parsed_171d   1   
         46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.5     21.5    .   .   10   .   C2'   .   10   .   C3'   .   10   .   C4'   .   10   .   O4'   parsed_171d   1   
         47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.40    10.60   .   .   11   .   C2'   .   11   .   C3'   .   11   .   C4'   .   11   .   O4'   parsed_171d   1   
         48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -29.5    -17.5    .   .   12   .   C2'   .   12   .   C3'   .   12   .   C4'   .   12   .   O4'   parsed_171d   1   
         49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    33.4     37.4    .   .    1   .   C3'   .    1   .   C4'   .    1   .   O4'   .    1   .   C1'   parsed_171d   1   
         50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.30    11.70   .   .    2   .   C3'   .    2   .   C4'   .    2   .   O4'   .    2   .   C1'   parsed_171d   1   
         51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.0     30.0    .   .    3   .   C3'   .    3   .   C4'   .    3   .   O4'   .    3   .   C1'   parsed_171d   1   
         52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.30    11.70   .   .    4   .   C3'   .    4   .   C4'   .    4   .   O4'   .    4   .   C1'   parsed_171d   1   
         53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.7     23.3    .   .    5   .   C3'   .    5   .   C4'   .    5   .   O4'   .    5   .   C1'   parsed_171d   1   
         54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.7     23.3    .   .    6   .   C3'   .    6   .   C4'   .    6   .   O4'   .    6   .   C1'   parsed_171d   1   
         55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.7     23.3    .   .    7   .   C3'   .    7   .   C4'   .    7   .   O4'   .    7   .   C1'   parsed_171d   1   
         56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.7     23.3    .   .    8   .   C3'   .    8   .   C4'   .    8   .   O4'   .    8   .   C1'   parsed_171d   1   
         57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.1     39.1    .   .    9   .   C3'   .    9   .   C4'   .    9   .   O4'   .    9   .   C1'   parsed_171d   1   
         58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.30    11.70   .   .   10   .   C3'   .   10   .   C4'   .   10   .   O4'   .   10   .   C1'   parsed_171d   1   
         59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.0     30.0    .   .   11   .   C3'   .   11   .   C4'   .   11   .   O4'   .   11   .   C1'   parsed_171d   1   
         60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    33.4     37.4    .   .   12   .   C3'   .   12   .   C4'   .   12   .   O4'   .   12   .   C1'   parsed_171d   1   
         61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -36.8    -30.8    .   .   13   .   C4'   .   13   .   O4'   .   13   .   C1'   .   13   .   C2'   parsed_171d   1   
         62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -29.8    -21.8    .   .   14   .   C4'   .   14   .   O4'   .   14   .   C1'   .   14   .   C2'   parsed_171d   1   
         63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -38.5    -30.5    .   .   15   .   C4'   .   15   .   O4'   .   15   .   C1'   .   15   .   C2'   parsed_171d   1   
         64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -29.8    -21.8    .   .   16   .   C4'   .   16   .   O4'   .   16   .   C1'   .   16   .   C2'   parsed_171d   1   
         65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -36.5    -22.5    .   .   17   .   C4'   .   17   .   O4'   .   17   .   C1'   .   17   .   C2'   parsed_171d   1   
         66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -36.5    -22.5    .   .   18   .   C4'   .   18   .   O4'   .   18   .   C1'   .   18   .   C2'   parsed_171d   1   
         67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -36.5    -22.5    .   .   19   .   C4'   .   19   .   O4'   .   19   .   C1'   .   19   .   C2'   parsed_171d   1   
         68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -36.5    -22.5    .   .   20   .   C4'   .   20   .   O4'   .   20   .   C1'   .   20   .   C2'   parsed_171d   1   
         69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -24.6      9.4    .   .   21   .   C4'   .   21   .   O4'   .   21   .   C1'   .   21   .   C2'   parsed_171d   1   
         70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -29.8    -21.8    .   .   22   .   C4'   .   22   .   O4'   .   22   .   C1'   .   22   .   C2'   parsed_171d   1   
         71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -38.5    -30.5    .   .   23   .   C4'   .   23   .   O4'   .   23   .   C1'   .   23   .   C2'   parsed_171d   1   
         72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -36.8    -30.8    .   .   24   .   C4'   .   24   .   O4'   .   24   .   C1'   .   24   .   C2'   parsed_171d   1   
         73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.3     26.3    .   .   13   .   O4'   .   13   .   C1'   .   13   .   C2'   .   13   .   C3'   parsed_171d   1   
         74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    35.0     37.0    .   .   14   .   O4'   .   14   .   C1'   .   14   .   C2'   .   14   .   C3'   parsed_171d   1   
         75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    31.9     37.9    .   .   15   .   O4'   .   15   .   C1'   .   15   .   C2'   .   15   .   C3'   parsed_171d   1   
         76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    35.0     37.0    .   .   16   .   O4'   .   16   .   C1'   .   16   .   C2'   .   16   .   C3'   parsed_171d   1   
         77   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    35.5     37.5    .   .   17   .   O4'   .   17   .   C1'   .   17   .   C2'   .   17   .   C3'   parsed_171d   1   
         78   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    35.5     37.5    .   .   18   .   O4'   .   18   .   C1'   .   18   .   C2'   .   18   .   C3'   parsed_171d   1   
         79   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    35.5     37.5    .   .   19   .   O4'   .   19   .   C1'   .   19   .   C2'   .   19   .   C3'   parsed_171d   1   
         80   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    35.5     37.5    .   .   20   .   O4'   .   20   .   C1'   .   20   .   C2'   .   20   .   C3'   parsed_171d   1   
         81   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -31.8      2.2    .   .   21   .   O4'   .   21   .   C1'   .   21   .   C2'   .   21   .   C3'   parsed_171d   1   
         82   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    35.0     37.0    .   .   22   .   O4'   .   22   .   C1'   .   22   .   C2'   .   22   .   C3'   parsed_171d   1   
         83   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    31.9     37.9    .   .   23   .   O4'   .   23   .   C1'   .   23   .   C2'   .   23   .   C3'   parsed_171d   1   
         84   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.3     26.3    .   .   24   .   O4'   .   24   .   C1'   .   24   .   C2'   .   24   .   C3'   parsed_171d   1   
         85   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.45    11.55   .   .   13   .   C1'   .   13   .   C2'   .   13   .   C3'   .   13   .   C4'   parsed_171d   1   
         86   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -35.5    -29.5    .   .   14   .   C1'   .   14   .   C2'   .   14   .   C3'   .   14   .   C4'   parsed_171d   1   
         87   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -30.0    -14.0    .   .   15   .   C1'   .   15   .   C2'   .   15   .   C3'   .   15   .   C4'   parsed_171d   1   
         88   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -35.5    -29.5    .   .   16   .   C1'   .   16   .   C2'   .   16   .   C3'   .   16   .   C4'   parsed_171d   1   
         89   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -37.5    -21.5    .   .   17   .   C1'   .   17   .   C2'   .   17   .   C3'   .   17   .   C4'   parsed_171d   1   
         90   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -37.5    -21.5    .   .   18   .   C1'   .   18   .   C2'   .   18   .   C3'   .   18   .   C4'   parsed_171d   1   
         91   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -37.5    -21.5    .   .   19   .   C1'   .   19   .   C2'   .   19   .   C3'   .   19   .   C4'   parsed_171d   1   
         92   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -37.5    -21.5    .   .   20   .   C1'   .   20   .   C2'   .   20   .   C3'   .   20   .   C4'   parsed_171d   1   
         93   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    22.6     40.6    .   .   21   .   C1'   .   21   .   C2'   .   21   .   C3'   .   21   .   C4'   parsed_171d   1   
         94   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -35.5    -29.5    .   .   22   .   C1'   .   22   .   C2'   .   22   .   C3'   .   22   .   C4'   parsed_171d   1   
         95   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -30.0    -14.0    .   .   23   .   C1'   .   23   .   C2'   .   23   .   C3'   .   23   .   C4'   parsed_171d   1   
         96   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.45    11.55   .   .   24   .   C1'   .   24   .   C2'   .   24   .   C3'   .   24   .   C4'   parsed_171d   1   
         97   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -29.5    -17.5    .   .   13   .   C2'   .   13   .   C3'   .   13   .   C4'   .   13   .   O4'   parsed_171d   1   
         98   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.5     21.5    .   .   14   .   C2'   .   14   .   C3'   .   14   .   C4'   .   14   .   O4'   parsed_171d   1   
         99   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.40    10.60   .   .   15   .   C2'   .   15   .   C3'   .   15   .   C4'   .   15   .   O4'   parsed_171d   1   
        100   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.5     21.5    .   .   16   .   C2'   .   16   .   C3'   .   16   .   C4'   .   16   .   O4'   parsed_171d   1   
        101   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.3     19.3    .   .   17   .   C2'   .   17   .   C3'   .   17   .   C4'   .   17   .   O4'   parsed_171d   1   
        102   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.3     19.3    .   .   18   .   C2'   .   18   .   C3'   .   18   .   C4'   .   18   .   O4'   parsed_171d   1   
        103   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.3     19.3    .   .   19   .   C2'   .   19   .   C3'   .   19   .   C4'   .   19   .   O4'   parsed_171d   1   
        104   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.3     19.3    .   .   20   .   C2'   .   20   .   C3'   .   20   .   C4'   .   20   .   O4'   parsed_171d   1   
        105   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -38.3    -34.3    .   .   21   .   C2'   .   21   .   C3'   .   21   .   C4'   .   21   .   O4'   parsed_171d   1   
        106   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.5     21.5    .   .   22   .   C2'   .   22   .   C3'   .   22   .   C4'   .   22   .   O4'   parsed_171d   1   
        107   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.40    10.60   .   .   23   .   C2'   .   23   .   C3'   .   23   .   C4'   .   23   .   O4'   parsed_171d   1   
        108   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -29.5    -17.5    .   .   24   .   C2'   .   24   .   C3'   .   24   .   C4'   .   24   .   O4'   parsed_171d   1   
        109   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    33.4     37.4    .   .   13   .   C3'   .   13   .   C4'   .   13   .   O4'   .   13   .   C1'   parsed_171d   1   
        110   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.30    11.70   .   .   14   .   C3'   .   14   .   C4'   .   14   .   O4'   .   14   .   C1'   parsed_171d   1   
        111   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.0     30.0    .   .   15   .   C3'   .   15   .   C4'   .   15   .   O4'   .   15   .   C1'   parsed_171d   1   
        112   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.30    11.70   .   .   16   .   C3'   .   16   .   C4'   .   16   .   O4'   .   16   .   C1'   parsed_171d   1   
        113   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.7     23.3    .   .   17   .   C3'   .   17   .   C4'   .   17   .   O4'   .   17   .   C1'   parsed_171d   1   
        114   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.7     23.3    .   .   18   .   C3'   .   18   .   C4'   .   18   .   O4'   .   18   .   C1'   parsed_171d   1   
        115   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.7     23.3    .   .   19   .   C3'   .   19   .   C4'   .   19   .   O4'   .   19   .   C1'   parsed_171d   1   
        116   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.7     23.3    .   .   20   .   C3'   .   20   .   C4'   .   20   .   O4'   .   20   .   C1'   parsed_171d   1   
        117   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.1     39.1    .   .   21   .   C3'   .   21   .   C4'   .   21   .   O4'   .   21   .   C1'   parsed_171d   1   
        118   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.30    11.70   .   .   22   .   C3'   .   22   .   C4'   .   22   .   O4'   .   22   .   C1'   parsed_171d   1   
        119   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.0     30.0    .   .   23   .   C3'   .   23   .   C4'   .   23   .   O4'   .   23   .   C1'   parsed_171d   1   
        120   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    33.4     37.4    .   .   24   .   C3'   .   24   .   C4'   .   24   .   O4'   .   24   .   C1'   parsed_171d   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   
;
--------------------------------------------------------------------
SUGAR pucker restraints
Determined by E.COSY analysis
--------------------------------------------------------------------
nu zero
--------------------------------------------------------------------
;
     1   1     6   70   parsed_171d   1   
         2   
;
--------------------------------------------------------------------
nu one
--------------------------------------------------------------------
;
    31   1    33   70   parsed_171d   1   
         3   
;
-------------------------------------------------------------------
nu two
-------------------------------------------------------------------
;
    59   1    61   69   parsed_171d   1   
         4   
;
-------------------------------------------------------------------
nu three
-------------------------------------------------------------------
;
    88   1    90   69   parsed_171d   1   
         5   
;
-------------------------------------------------------------------
nu four
-------------------------------------------------------------------
;
   116   1   118   69   parsed_171d   1   
         6   
;
STRAND 2-----------------------------------------------------------
nu zero
--------------------------------------------------------------------
;
   144   1   146   70   parsed_171d   1   
         7   
;
--------------------------------------------------------------------
nu one
--------------------------------------------------------------------
;
   171   1   173   70   parsed_171d   1   
         8   
;
-------------------------------------------------------------------
nu two
-------------------------------------------------------------------
;
   199   1   201   69   parsed_171d   1   
         9   
;
-------------------------------------------------------------------
nu three
-------------------------------------------------------------------
;
   228   1   230   69   parsed_171d   1   
        10   
;
-------------------------------------------------------------------
nu four
-------------------------------------------------------------------
;
   256   1   258   69   parsed_171d   1   
    stop_

save_


save_MR_file_comment_3
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_171d 
    _Org_constr_file_comment.ID                  2 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            3 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
set message=on echo=on end

;

save_





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