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
480590 2p0p 7381 cing 2-parsed STAR dihedral angle


data_2p0p_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2p0p 
    _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_2p0p   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2p0p 
    _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   2p0p   "Master copy"    parsed_2p0p   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2p0p 
    _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   2p0p.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2p0p   1   
        1   2p0p.mr   .   .    AMBER         2    distance                  NOE                 simple               34   parsed_2p0p   1   
        1   2p0p.mr   .   .    AMBER         3    stereochemistry           chirality          "Not applicable"       0   parsed_2p0p   1   
        1   2p0p.mr   .   .    AMBER         4   "dihedral angle"          "Not applicable"    "Not applicable"     125   parsed_2p0p   1   
        1   2p0p.mr   .   .    AMBER         5    distance                  NOE                 simple             2739   parsed_2p0p   1   
        1   2p0p.mr   .   .    AMBER         6   "dihedral angle"          "Not applicable"    "Not applicable"     134   parsed_2p0p   1   
        1   2p0p.mr   .   .    AMBER         7    distance                  NOE                 simple             1432   parsed_2p0p   1   
        1   2p0p.mr   .   .    AMBER         8   "dihedral angle"          "Not applicable"    "Not applicable"       0   parsed_2p0p   1   
        1   2p0p.mr   .   .   "MR format"    9   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2p0p   1   
    stop_

save_


save_AMBER_dihedral_8
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2p0p 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            8 
    _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 

        .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2p0p   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   "N angles for residue 10"       1   1     1   26   parsed_2p0p   1   
         2   "N angles for residue 12"       6   1     6   26   parsed_2p0p   1   
         3   "N angles for residue 13"      11   1    11   26   parsed_2p0p   1   
         4   "N angles for residue 14"      16   1    16   26   parsed_2p0p   1   
         5   "N angles for residue 15"      21   1    21   26   parsed_2p0p   1   
         6   "N angles for residue 16"      26   1    26   26   parsed_2p0p   1   
         7   "N angles for residue 18"      31   1    31   26   parsed_2p0p   1   
         8   "N angles for residue 24"      36   1    36   26   parsed_2p0p   1   
         9   "N angles for residue 25"      41   1    41   26   parsed_2p0p   1   
        10   "N angles for residue 26"      46   1    46   26   parsed_2p0p   1   
        11   "N angles for residue 29"      51   1    51   26   parsed_2p0p   1   
        12   "N angles for residue 30"      56   1    56   26   parsed_2p0p   1   
        13   "N angles for residue 31"      61   1    61   26   parsed_2p0p   1   
        14   "N angles for residue 32"      66   1    66   26   parsed_2p0p   1   
        15   "N angles for residue 33"      71   1    71   26   parsed_2p0p   1   
        16   "N angles for residue 34"      76   1    76   26   parsed_2p0p   1   
        17   "N angles for residue 35"      81   1    81   26   parsed_2p0p   1   
        18   "N angles for residue 36"      86   1    86   26   parsed_2p0p   1   
        19   "N angles for residue 37"      91   1    91   26   parsed_2p0p   1   
        20   "N angles for residue 38"      96   1    96   26   parsed_2p0p   1   
        21   "N angles for residue 39"     101   1   101   26   parsed_2p0p   1   
        22   "N angles for residue 40"     106   1   106   26   parsed_2p0p   1   
        23   "N angles for residue 44"     111   1   111   26   parsed_2p0p   1   
        24   "N angles for residue 45"     116   1   116   26   parsed_2p0p   1   
        25   "N angles for residue 46"     121   1   121   26   parsed_2p0p   1   
        26   "N angles for residue 47"     126   1   126   26   parsed_2p0p   1   
        27   "N angles for residue 49"     131   1   131   26   parsed_2p0p   1   
        28   "N angles for residue 50"     136   1   136   26   parsed_2p0p   1   
        29   "N angles for residue 58"     141   1   141   26   parsed_2p0p   1   
        30   "N angles for residue 59"     146   1   146   26   parsed_2p0p   1   
        31   "N angles for residue 61"     151   1   151   26   parsed_2p0p   1   
        32   "N angles for residue 63"     156   1   156   26   parsed_2p0p   1   
        33   "N angles for residue 64"     161   1   161   26   parsed_2p0p   1   
        34   "N angles for residue 65"     166   1   166   26   parsed_2p0p   1   
        35   "N angles for residue 66"     171   1   171   26   parsed_2p0p   1   
        36   "N angles for residue 67"     176   1   176   26   parsed_2p0p   1   
        37   "N angles for residue 76"     181   1   181   26   parsed_2p0p   1   
        38   "N angles for residue 77"     186   1   186   26   parsed_2p0p   1   
        39   "N angles for residue 79"     191   1   191   26   parsed_2p0p   1   
        40   "N angles for residue 80"     196   1   196   26   parsed_2p0p   1   
        41   "N angles for residue 82"     201   1   201   26   parsed_2p0p   1   
        42   "N angles for residue 83"     206   1   206   26   parsed_2p0p   1   
        43   "N angles for residue 84"     211   1   211   26   parsed_2p0p   1   
        44   "N angles for residue 92"     216   1   216   26   parsed_2p0p   1   
        45   "N angles for residue 93"     221   1   221   26   parsed_2p0p   1   
        46   "N angles for residue 95"     226   1   226   26   parsed_2p0p   1   
        47   "N angles for residue 96"     231   1   231   26   parsed_2p0p   1   
        48   "N angles for residue 99"     236   1   236   26   parsed_2p0p   1   
        49   "N angles for residue 100"    241   1   241   27   parsed_2p0p   1   
        50   "N angles for residue 101"    246   1   246   27   parsed_2p0p   1   
        51   "N angles for residue 102"    251   1   251   27   parsed_2p0p   1   
        52   "N angles for residue 103"    256   1   256   27   parsed_2p0p   1   
        53   "N angles for residue 104"    261   1   261   27   parsed_2p0p   1   
        54   "N angles for residue 105"    266   1   266   27   parsed_2p0p   1   
        55   "N angles for residue 107"    271   1   271   27   parsed_2p0p   1   
        56   "N angles for residue 109"    276   1   276   27   parsed_2p0p   1   
        57   "N angles for residue 112"    281   1   281   27   parsed_2p0p   1   
        58   "N angles for residue 113"    286   1   286   27   parsed_2p0p   1   
        59   "N angles for residue 115"    291   1   291   27   parsed_2p0p   1   
        60   "N angles for residue 116"    296   1   296   27   parsed_2p0p   1   
        61   "N angles for residue 117"    301   1   301   27   parsed_2p0p   1   
        62   "N angles for residue 120"    306   1   306   27   parsed_2p0p   1   
        63   "N angles for residue 121"    311   1   311   27   parsed_2p0p   1   
        64   "N angles for residue 123"    316   1   316   27   parsed_2p0p   1   
        65   "N angles for residue 124"    321   1   321   27   parsed_2p0p   1   
        66   "N angles for residue 125"    326   1   326   27   parsed_2p0p   1   
    stop_

save_





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