NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type item_count
48548 2jmf 15016 cing 2-parsed STAR dihedral angle 54


data_2jmf_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2jmf 
    _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_2jmf   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2jmf 
    _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   2jmf   "Master copy"    parsed_2jmf   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2jmf 
    _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   2jmf.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_2jmf   1   
        1   2jmf.mr   .   .    DYANA/DIANA   2   "dihedral angle"          "Not applicable"    "Not applicable"    54   parsed_2jmf   1   
        1   2jmf.mr   .   .   "MR format"    3    comment                  "Not applicable"    "Not applicable"     0   parsed_2jmf   1   
        1   2jmf.mr   .   .    DYANA/DIANA   4    distance                 "hydrogen bond"      simple              0   parsed_2jmf   1   
        1   2jmf.mr   .   .   "MR format"    5    comment                  "Not applicable"    "Not applicable"     0   parsed_2jmf   1   
        1   2jmf.mr   .   .    DYANA/DIANA   6    distance                 "hydrogen bond"      simple              0   parsed_2jmf   1   
        1   2jmf.mr   .   .   "MR format"    7    comment                  "Not applicable"    "Not applicable"     0   parsed_2jmf   1   
        1   2jmf.mr   .   .    DYANA/DIANA   8    distance                  NOE                 simple              0   parsed_2jmf   1   
        1   2jmf.mr   .   .   "MR format"    9   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2jmf   1   
    stop_

save_


save_DYANA/DIANA_dihedral_2
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2jmf 
    _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   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -154.8    -54.7   .   .     5   SER   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
         2   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    104.7    179.6   .   .     5   SER   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
         3   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.6    -49.9   .   .    19   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
         4   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    108.4    168.6   .   .    19   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
         5   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -144.8    -78.8   .   .    23   TRP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
         6   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    117.1    164.3   .   .    23   TRP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
         7   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -170.2   -115.1   .   .    24   GLU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
         8   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    136.4    167.9   .   .    24   GLU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
         9   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -126.4    -58.6   .   .    25   ILE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        10   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    117.0    147.0   .   .    25   ILE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        11   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -168.3    -91.1   .   .    26   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        12   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    134.9    183.4   .   .    26   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        13   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -149.8   -102.1   .   .    27   TYR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        14   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    116.8    162.8   .   .    27   TYR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        15   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -115.1    -65.5   .   .    28   THR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        16   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    141.1    195.1   .   .    28   THR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        17   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -73.5    -51.6   .   .    29   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        18   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -33.9     -5.4   .   .    29   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        19   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -109.4    -55.6   .   .    33   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        20   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     86.6    162.6   .   .    33   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        21   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -169.7    -88.4   .   .    34   PHE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        22   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    137.3    196.1   .   .    34   PHE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        23   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -175.0    -77.2   .   .    35   PHE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        24   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    121.7    170.4   .   .    35   PHE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        25   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -165.5    -69.1   .   .    36   VAL   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        26   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    101.1    162.6   .   .    36   VAL   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        27   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -126.0    -52.4   .   .    37   ASP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        28   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     54.2    193.9   .   .    37   ASP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        29   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.7    -51.7   .   .    38   HIS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        30   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -54.1     -2.8   .   .    38   HIS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        31   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -96.9    -46.4   .   .    39   ASN   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        32   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -50.5     -9.8   .   .    39   ASN   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        33   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -142.0    -57.8   .   .    40   THR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        34   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -38.5     25.9   .   .    40   THR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        35   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -177.9    -97.2   .   .    42   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        36   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    141.8    170.7   .   .    42   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        37   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -158.7    -81.9   .   .    43   THR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        38   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    115.1    176.1   .   .    43   THR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        39   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -187.0    -59.5   .   .    44   THR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        40   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    101.1    192.1   .   .    44   THR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        41   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -119.8    -47.9   .   .    47   ASP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        42   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     65.2    183.9   .   .    47   ASP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        43   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -173.8    -61.1   .   .   105   SER   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        44   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     65.0    210.6   .   .   105   SER   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        45   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -132.0    -67.5   .   .   115   SER   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        46   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     66.1    200.5   .   .   115   SER   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        47   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -67.5    -43.8   .   .   116   TYR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        48   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.1    -26.2   .   .   116   TYR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        49   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.8    -48.6   .   .   117   GLU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        50   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -54.0    -26.6   .   .   117   GLU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        51   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -76.2    -49.8   .   .   118   ASP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        52   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -49.2    -27.2   .   .   118   ASP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        53   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -84.2    -48.1   .   .   119   CYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
        54   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -51.2    -13.6   .   .   119   CYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2jmf   1   
    stop_

save_





Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Sunday, May 19, 2024 6:27:40 AM GMT (wattos1)