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 subtype item_count
575954 2mi1 19663 cing 2-parsed STAR entry full 66


data_2mi1_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2mi1 
    _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_2mi1   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2mi1 
    _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   2mi1   "Master copy"    parsed_2mi1   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2mi1 
    _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   2mi1.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_2mi1   1   
        1   2mi1.mr   .   .    DYANA/DIANA   2    distance                  NOE                 simple             19   parsed_2mi1   1   
        1   2mi1.mr   .   .    DYANA/DIANA   3   "dihedral angle"          "Not applicable"    "Not applicable"    47   parsed_2mi1   1   
        1   2mi1.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2mi1   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_2mi1 
    _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    PEPTIDE                                 08-DEC-13   2MI1              
*TITLE     SOMATOSTATIN-14 SOLUTION STRUCTURE IN 5% D-MANNITOL                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SOMATOSTATIN-14;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606;                                                
*SOURCE   6 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED.               
*KEYWDS    HORMONE                                                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    A.ANOOP, S.RANGANATHAN, S.PRATIHAR                                    
*REVDAT   1   07-MAY-14 2MI1    0                                                


;

save_


save_DYANA/DIANA_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2mi1 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            2 
    _Distance_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Dist_constraint_tree.Constraint_ID 
        _Dist_constraint_tree.Node_ID 
        _Dist_constraint_tree.Down_node_ID 
        _Dist_constraint_tree.Right_node_ID 
        _Dist_constraint_tree.Logic_operation 
        _Dist_constraint_tree.Entry_ID 
        _Dist_constraint_tree.Distance_constraint_list_ID 

         1   1   .   .   .   parsed_2mi1   1   
         2   1   .   .   .   parsed_2mi1   1   
         3   1   .   .   .   parsed_2mi1   1   
         4   1   .   .   .   parsed_2mi1   1   
         5   1   .   .   .   parsed_2mi1   1   
         6   1   .   .   .   parsed_2mi1   1   
         7   1   .   .   .   parsed_2mi1   1   
         8   1   .   .   .   parsed_2mi1   1   
         9   1   .   .   .   parsed_2mi1   1   
        10   1   .   .   .   parsed_2mi1   1   
        11   1   .   .   .   parsed_2mi1   1   
        12   1   .   .   .   parsed_2mi1   1   
        13   1   .   .   .   parsed_2mi1   1   
        14   1   .   .   .   parsed_2mi1   1   
        15   1   .   .   .   parsed_2mi1   1   
        16   1   .   .   .   parsed_2mi1   1   
        17   1   .   .   .   parsed_2mi1   1   
        18   1   .   .   .   parsed_2mi1   1   
        19   1   .   .   .   parsed_2mi1   1   
    stop_


    loop_
        _Dist_constraint.Tree_node_member_constraint_ID 
        _Dist_constraint.Tree_node_member_node_ID 
        _Dist_constraint.Constraint_tree_node_member_ID 
        _Dist_constraint.Assembly_atom_ID 
        _Dist_constraint.Entity_assembly_ID 
        _Dist_constraint.Entity_ID 
        _Dist_constraint.Comp_index_ID 
        _Dist_constraint.Seq_ID 
        _Dist_constraint.Comp_ID 
        _Dist_constraint.Atom_ID 
        _Dist_constraint.Resonance_ID 
        _Dist_constraint.Auth_asym_ID 
        _Dist_constraint.Auth_seq_ID 
        _Dist_constraint.Auth_comp_ID 
        _Dist_constraint.Auth_atom_ID 
        _Dist_constraint.Entry_ID 
        _Dist_constraint.Distance_constraint_list_ID 

         1   1   1   .   .   .   .   .   .   .   .   .    2   GLY    HA    parsed_2mi1   1   
         1   1   2   .   .   .   .   .   .   .   .   .    3   CYSS   HN    parsed_2mi1   1   
         2   1   1   .   .   .   .   .   .   .   .   .    3   CYSS   HA    parsed_2mi1   1   
         2   1   2   .   .   .   .   .   .   .   .   .    4   LYS    HN    parsed_2mi1   1   
         3   1   1   .   .   .   .   .   .   .   .   .    4   LYS    HA    parsed_2mi1   1   
         3   1   2   .   .   .   .   .   .   .   .   .    5   ASN    HN    parsed_2mi1   1   
         4   1   1   .   .   .   .   .   .   .   .   .    6   PHE    HA    parsed_2mi1   1   
         4   1   2   .   .   .   .   .   .   .   .   .    7   PHE    HN    parsed_2mi1   1   
         5   1   1   .   .   .   .   .   .   .   .   .    9   LYS    HA    parsed_2mi1   1   
         5   1   2   .   .   .   .   .   .   .   .   .   10   THR    HN    parsed_2mi1   1   
         6   1   1   .   .   .   .   .   .   .   .   .    5   ASN    HA    parsed_2mi1   1   
         6   1   2   .   .   .   .   .   .   .   .   .    6   PHE    HN    parsed_2mi1   1   
         7   1   1   .   .   .   .   .   .   .   .   .   11   PHE    HA    parsed_2mi1   1   
         7   1   2   .   .   .   .   .   .   .   .   .   13   SER    HN    parsed_2mi1   1   
         8   1   1   .   .   .   .   .   .   .   .   .   11   PHE    HA    parsed_2mi1   1   
         8   1   2   .   .   .   .   .   .   .   .   .   12   THR    HN    parsed_2mi1   1   
         9   1   1   .   .   .   .   .   .   .   .   .   13   SER    HA    parsed_2mi1   1   
         9   1   2   .   .   .   .   .   .   .   .   .   14   CYSS   HN    parsed_2mi1   1   
        10   1   1   .   .   .   .   .   .   .   .   .    4   LYS    HN    parsed_2mi1   1   
        10   1   2   .   .   .   .   .   .   .   .   .   14   CYSS   HA    parsed_2mi1   1   
        11   1   1   .   .   .   .   .   .   .   .   .    5   ASN    HB2   parsed_2mi1   1   
        11   1   2   .   .   .   .   .   .   .   .   .   12   THR    HN    parsed_2mi1   1   
        12   1   1   .   .   .   .   .   .   .   .   .   11   PHE    HB2   parsed_2mi1   1   
        12   1   2   .   .   .   .   .   .   .   .   .   12   THR    HN    parsed_2mi1   1   
        13   1   1   .   .   .   .   .   .   .   .   .   11   PHE    HB2   parsed_2mi1   1   
        13   1   2   .   .   .   .   .   .   .   .   .   13   SER    HN    parsed_2mi1   1   
        14   1   1   .   .   .   .   .   .   .   .   .    9   LYS    HN    parsed_2mi1   1   
        14   1   2   .   .   .   .   .   .   .   .   .   13   SER    HA    parsed_2mi1   1   
        15   1   1   .   .   .   .   .   .   .   .   .    6   PHE    HA    parsed_2mi1   1   
        15   1   2   .   .   .   .   .   .   .   .   .   10   THR    HN    parsed_2mi1   1   
        16   1   1   .   .   .   .   .   .   .   .   .    7   PHE    HA    parsed_2mi1   1   
        16   1   2   .   .   .   .   .   .   .   .   .    8   TRP    HN    parsed_2mi1   1   
        17   1   1   .   .   .   .   .   .   .   .   .    8   TRP    HE3   parsed_2mi1   1   
        17   1   2   .   .   .   .   .   .   .   .   .   11   PHE    HB2   parsed_2mi1   1   
        18   1   1   .   .   .   .   .   .   .   .   .    8   TRP    HD1   parsed_2mi1   1   
        18   1   2   .   .   .   .   .   .   .   .   .   13   SER    HB2   parsed_2mi1   1   
        19   1   1   .   .   .   .   .   .   .   .   .    8   TRP    HE3   parsed_2mi1   1   
        19   1   2   .   .   .   .   .   .   .   .   .   11   PHE    HB2   parsed_2mi1   1   
    stop_


    loop_
        _Dist_constraint_value.Constraint_ID 
        _Dist_constraint_value.Tree_node_ID 
        _Dist_constraint_value.Source_experiment_ID 
        _Dist_constraint_value.Spectral_peak_ID 
        _Dist_constraint_value.Intensity_val 
        _Dist_constraint_value.Intensity_lower_val_err 
        _Dist_constraint_value.Intensity_upper_val_err 
        _Dist_constraint_value.Distance_val 
        _Dist_constraint_value.Distance_lower_bound_val 
        _Dist_constraint_value.Distance_upper_bound_val 
        _Dist_constraint_value.Entry_ID 
        _Dist_constraint_value.Distance_constraint_list_ID 

         1   1   .   .   .   .   .   .   .   2.80   parsed_2mi1   1   
         2   1   .   .   .   .   .   .   .   2.80   parsed_2mi1   1   
         3   1   .   .   .   .   .   .   .   2.80   parsed_2mi1   1   
         4   1   .   .   .   .   .   .   .   2.80   parsed_2mi1   1   
         5   1   .   .   .   .   .   .   .   2.80   parsed_2mi1   1   
         6   1   .   .   .   .   .   .   .   2.80   parsed_2mi1   1   
         7   1   .   .   .   .   .   .   .   4.10   parsed_2mi1   1   
         8   1   .   .   .   .   .   .   .   2.80   parsed_2mi1   1   
         9   1   .   .   .   .   .   .   .   3.00   parsed_2mi1   1   
        10   1   .   .   .   .   .   .   .   3.20   parsed_2mi1   1   
        11   1   .   .   .   .   .   .   .   3.75   parsed_2mi1   1   
        12   1   .   .   .   .   .   .   .   2.80   parsed_2mi1   1   
        13   1   .   .   .   .   .   .   .   3.25   parsed_2mi1   1   
        14   1   .   .   .   .   .   .   .   3.30   parsed_2mi1   1   
        15   1   .   .   .   .   .   .   .   3.20   parsed_2mi1   1   
        16   1   .   .   .   .   .   .   .   2.80   parsed_2mi1   1   
        17   1   .   .   .   .   .   .   .   3.00   parsed_2mi1   1   
        18   1   .   .   .   .   .   .   .   3.60   parsed_2mi1   1   
        19   1   .   .   .   .   .   .   .   2.80   parsed_2mi1   1   
    stop_


    loop_
        _Dist_constraint_comment_org.ID 
        _Dist_constraint_comment_org.Comment_text 
        _Dist_constraint_comment_org.Comment_begin_line 
        _Dist_constraint_comment_org.Comment_begin_column 
        _Dist_constraint_comment_org.Comment_end_line 
        _Dist_constraint_comment_org.Comment_end_column 
        _Dist_constraint_comment_org.Entry_ID 
        _Dist_constraint_comment_org.Distance_constraint_list_ID 

         1   "peak     1"     1   49    1   59   parsed_2mi1   1   
         2   "peak     2"     2   49    2   59   parsed_2mi1   1   
         3   "peak     3"     3   49    3   59   parsed_2mi1   1   
         4   "peak     4"     4   49    4   59   parsed_2mi1   1   
         5   "peak     5"     5   49    5   59   parsed_2mi1   1   
         6   "peak     6"     6   49    6   59   parsed_2mi1   1   
         7   "peak     7"     7   49    7   59   parsed_2mi1   1   
         8   "peak     8"     8   49    8   59   parsed_2mi1   1   
         9   "peak     9"     9   49    9   59   parsed_2mi1   1   
        10   "peak    10"    10   49   10   59   parsed_2mi1   1   
        11   "peak    16"    11   49   11   59   parsed_2mi1   1   
        12   "peak    17"    12   49   12   59   parsed_2mi1   1   
        13   "peak    18"    13   49   13   59   parsed_2mi1   1   
        14   "peak    25"    14   49   14   59   parsed_2mi1   1   
        15   "peak    26"    15   49   15   59   parsed_2mi1   1   
        16   "peak    68"    16   49   16   59   parsed_2mi1   1   
        17   "peak    74"    17   49   17   59   parsed_2mi1   1   
        18   "peak    77"    18   49   18   59   parsed_2mi1   1   
        19   "peak    78"    19   49   19   59   parsed_2mi1   1   
    stop_

save_


save_DYANA/DIANA_dihedral_3
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2mi1 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            3 
    _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     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -335.0   -25.0   .   .    2   GLY    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
         2   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -325.0   -35.0   .   .    3   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
         3   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -215.0    95.0   .   .    3   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
         4   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     25.0   205.0   .   .    3   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
         5   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -335.0   -25.0   .   .    4   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
         6   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -205.0    95.0   .   .    4   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
         7   CHI2    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -345.0   -15.0   .   .    4   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
         8   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     25.0   205.0   .   .    4   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
         9   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -335.0   -25.0   .   .    5   ASN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        10   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -215.0    95.0   .   .    5   ASN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        11   CHI1    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -215.0    95.0   .   .    5   ASN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        12   CHI2    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -165.0   155.0   .   .    5   ASN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        13   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     25.0   205.0   .   .    5   ASN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        14   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -335.0   -25.0   .   .    6   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        15   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -205.0    85.0   .   .    6   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        16   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     25.0   205.0   .   .    6   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        17   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -335.0   -25.0   .   .    7   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        18   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -205.0    85.0   .   .    7   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        19   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     25.0   205.0   .   .    7   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        20   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -325.0   -35.0   .   .    8   TRP    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        21   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -205.0    95.0   .   .    8   TRP    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        22   CHI2    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -155.0   155.0   .   .    8   TRP    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        23   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -335.0   -25.0   .   .    9   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        24   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -205.0    95.0   .   .    9   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        25   CHI2    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -345.0   -15.0   .   .    9   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        26   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     25.0   205.0   .   .    9   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        27   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -335.0   -25.0   .   .   10   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        28   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -205.0    95.0   .   .   10   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        29   CHI1    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -345.0   -15.0   .   .   10   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        30   CHI1    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -235.0   105.0   .   .   10   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        31   CHI21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -345.0   -15.0   .   .   10   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        32   CHI21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -95.0   225.0   .   .   10   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        33   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -325.0   -25.0   .   .   11   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        34   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -205.0    85.0   .   .   11   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        35   CHI1    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -165.0   115.0   .   .   11   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        36   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    145.0   205.0   .   .   11   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        37   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -335.0   -25.0   .   .   12   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        38   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -205.0    95.0   .   .   12   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        39   CHI1    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -345.0   -15.0   .   .   12   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        40   CHI1    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -235.0   105.0   .   .   12   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        41   CHI21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -345.0   -15.0   .   .   12   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        42   CHI21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -95.0   225.0   .   .   12   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        43   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -335.0   -25.0   .   .   13   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        44   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -215.0    95.0   .   .   13   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        45   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .      5.0   215.0   .   .   13   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        46   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -325.0   -35.0   .   .   14   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
        47   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -215.0    95.0   .   .   14   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mi1   1   
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