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 subsubtype
569260 2m3t 17576 cing 2-parsed STAR distance NOE ambi


data_2m3t_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2m3t 
    _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_2m3t   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2m3t 
    _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   2m3t   "Master copy"    parsed_2m3t   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2m3t 
    _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   2m3t.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_2m3t   1   
        1   2m3t.mr   .   .    XPLOR/CNS     2    distance                  NOE                 ambi               0   parsed_2m3t   1   
        1   2m3t.mr   .   .    XPLOR/CNS     3    distance                  NOE                 ambi               0   parsed_2m3t   1   
        1   2m3t.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_2m3t   1   
        1   2m3t.mr   .   .    XPLOR/CNS     5    distance                 "hydrogen bond"      simple             0   parsed_2m3t   1   
        1   2m3t.mr   .   .    XPLOR/CNS     6   "dipolar coupling"        "Not applicable"    "Not applicable"    0   parsed_2m3t   1   
        1   2m3t.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_2m3t   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2m3t 
    _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_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     0     1    6     1    6   parsed_2m3t   1   
          2     0     2    4     2    4   parsed_2m3t   1   
          3     1     4    6     4    6   parsed_2m3t   1   
          4     1     5    4     5    4   parsed_2m3t   1   
          5     2     7    6     7    6   parsed_2m3t   1   
          6     2     8    4     8    4   parsed_2m3t   1   
          7     3    10    6    10    6   parsed_2m3t   1   
          8     1    10   78    10   80   parsed_2m3t   1   
          9     3    11    4    11    4   parsed_2m3t   1   
         10     4    13    6    13    6   parsed_2m3t   1   
         11     4    14    4    14    4   parsed_2m3t   1   
         12     4    15    4    15    4   parsed_2m3t   1   
         13     5    17    6    17    6   parsed_2m3t   1   
         14     5    18    4    18    4   parsed_2m3t   1   
         15     6    20    6    20    6   parsed_2m3t   1   
         16     6    21    4    21    4   parsed_2m3t   1   
         17     7    23    6    23    6   parsed_2m3t   1   
         18     7    24    4    24    4   parsed_2m3t   1   
         19     8    26    6    26    6   parsed_2m3t   1   
         20     8    27    4    27    4   parsed_2m3t   1   
         21     9    29    6    29    6   parsed_2m3t   1   
         22     9    30    4    30    4   parsed_2m3t   1   
         23    10    32    6    32    6   parsed_2m3t   1   
         24    10    33    4    33    4   parsed_2m3t   1   
         25    11    35    6    35    6   parsed_2m3t   1   
         26    11    36    4    36    4   parsed_2m3t   1   
         27    12    38    6    38    6   parsed_2m3t   1   
         28    12    39    4    39    4   parsed_2m3t   1   
         29    13    41    6    41    6   parsed_2m3t   1   
         30    13    42    4    42    4   parsed_2m3t   1   
         31    14    44    6    44    6   parsed_2m3t   1   
         32    14    45    4    45    4   parsed_2m3t   1   
         33    15    47    6    47    6   parsed_2m3t   1   
         34    15    48    4    48    4   parsed_2m3t   1   
         35    16    50    6    50    6   parsed_2m3t   1   
         36    16    51    4    51    4   parsed_2m3t   1   
         37    17    53    6    53    6   parsed_2m3t   1   
         38    17    54    3    54    3   parsed_2m3t   1   
         39    18    56    6    56    6   parsed_2m3t   1   
         40    18    57    4    57    4   parsed_2m3t   1   
         41    19    59    6    59    6   parsed_2m3t   1   
         42    20    61    6    61    6   parsed_2m3t   1   
         43    21    63    6    63    6   parsed_2m3t   1   
         44    22    65    6    65    6   parsed_2m3t   1   
         45    22    66    4    66    4   parsed_2m3t   1   
         46    23    68    6    68    6   parsed_2m3t   1   
         47    23    69    4    69    4   parsed_2m3t   1   
         48    24    71    6    71    6   parsed_2m3t   1   
         49    24    72    4    72    4   parsed_2m3t   1   
         50    25    74    6    74    6   parsed_2m3t   1   
         51    25    75    4    75    4   parsed_2m3t   1   
         52    26    77    6    77    6   parsed_2m3t   1   
         53    26    78    4    78    4   parsed_2m3t   1   
         54    27    80    6    80    6   parsed_2m3t   1   
         55    27    81    4    81    4   parsed_2m3t   1   
         56    28    83    6    83    6   parsed_2m3t   1   
         57     1    83   79    83   81   parsed_2m3t   1   
         58    28    84    4    84    4   parsed_2m3t   1   
         59    29    86    6    86    6   parsed_2m3t   1   
         60    29    87    4    87    4   parsed_2m3t   1   
         61    30    89    6    89    6   parsed_2m3t   1   
         62     2    89   79    89   81   parsed_2m3t   1   
         63    30    90    4    90    4   parsed_2m3t   1   
         64    31    92    6    92    6   parsed_2m3t   1   
         65    32    94    6    94    6   parsed_2m3t   1   
         66    32    95    4    95    4   parsed_2m3t   1   
         67    33    97    6    97    6   parsed_2m3t   1   
         68    33    98    4    98    4   parsed_2m3t   1   
         69    34   100    6   100    6   parsed_2m3t   1   
         70    34   101    4   101    4   parsed_2m3t   1   
         71    35   103    6   103    6   parsed_2m3t   1   
         72    35   104    4   104    4   parsed_2m3t   1   
         73    36   106    6   106    6   parsed_2m3t   1   
         74    36   107    4   107    4   parsed_2m3t   1   
         75    37   109    6   109    6   parsed_2m3t   1   
         76    37   110    4   110    4   parsed_2m3t   1   
         77    38   112    6   112    6   parsed_2m3t   1   
         78    38   113    4   113    4   parsed_2m3t   1   
         79    39   115    6   115    6   parsed_2m3t   1   
         80    39   116    4   116    4   parsed_2m3t   1   
         81    40   118    6   118    6   parsed_2m3t   1   
         82    40   119    4   119    4   parsed_2m3t   1   
         83    41   121    6   121    6   parsed_2m3t   1   
         84    41   122    4   122    4   parsed_2m3t   1   
         85    42   124    6   124    6   parsed_2m3t   1   
         86    43   126    6   126    6   parsed_2m3t   1   
         87    43   127    4   127    4   parsed_2m3t   1   
         88    44   129    6   129    6   parsed_2m3t   1   
         89    44   130    4   130    4   parsed_2m3t   1   
         90    45   132    6   132    6   parsed_2m3t   1   
         91    45   133    4   133    4   parsed_2m3t   1   
         92    46   135    6   135    6   parsed_2m3t   1   
         93    46   136    4   136    4   parsed_2m3t   1   
         94    47   138    6   138    6   parsed_2m3t   1   
         95     2   138   81   138   83   parsed_2m3t   1   
         96    47   139    4   139    4   parsed_2m3t   1   
         97    47   140    4   140    4   parsed_2m3t   1   
         98    47   141    4   141    4   parsed_2m3t   1   
         99    47   142    4   142    4   parsed_2m3t   1   
        100    47   143    4   143    4   parsed_2m3t   1   
        101    48   145    6   145    6   parsed_2m3t   1   
        102    48   146    4   146    4   parsed_2m3t   1   
        103    49   148    6   148    6   parsed_2m3t   1   
        104     2   148   81   148   83   parsed_2m3t   1   
        105    49   149    4   149    4   parsed_2m3t   1   
        106    50   151    6   151    6   parsed_2m3t   1   
        107    50   152    4   152    4   parsed_2m3t   1   
        108    51   154    6   154    6   parsed_2m3t   1   
        109    51   155    4   155    4   parsed_2m3t   1   
        110    52   157    6   157    6   parsed_2m3t   1   
        111    52   158    4   158    4   parsed_2m3t   1   
        112    53   160    6   160    6   parsed_2m3t   1   
        113    53   161    4   161    4   parsed_2m3t   1   
        114    54   163    6   163    6   parsed_2m3t   1   
        115    54   164    4   164    4   parsed_2m3t   1   
        116    55   166    6   166    6   parsed_2m3t   1   
        117    55   167    4   167    4   parsed_2m3t   1   
        118    56   169    6   169    6   parsed_2m3t   1   
        119    56   170    4   170    4   parsed_2m3t   1   
        120    57   172    6   172    6   parsed_2m3t   1   
        121    57   173    4   173    4   parsed_2m3t   1   
        122    58   175    6   175    6   parsed_2m3t   1   
        123    58   176    4   176    4   parsed_2m3t   1   
        124    59   178    6   178    6   parsed_2m3t   1   
        125    59   179    4   179    4   parsed_2m3t   1   
        126    60   181    6   181    6   parsed_2m3t   1   
        127    60   182    4   182    4   parsed_2m3t   1   
        128    61   184    6   184    6   parsed_2m3t   1   
        129    61   185    4   185    4   parsed_2m3t   1   
        130    61   186    4   186    4   parsed_2m3t   1   
        131    62   188    6   188    6   parsed_2m3t   1   
        132    62   189    4   189    4   parsed_2m3t   1   
        133    62   190    4   190    4   parsed_2m3t   1   
        134    63   192    6   192    6   parsed_2m3t   1   
        135    64   194    6   194    6   parsed_2m3t   1   
        136    64   195    4   195    4   parsed_2m3t   1   
        137    65   197    6   197    6   parsed_2m3t   1   
        138    65   198    4   198    4   parsed_2m3t   1   
        139    66   200    6   200    6   parsed_2m3t   1   
        140    66   201    4   201    4   parsed_2m3t   1   
        141    67   203    6   203    6   parsed_2m3t   1   
        142    67   204    4   204    4   parsed_2m3t   1   
        143    68   206    6   206    6   parsed_2m3t   1   
        144    68   207    4   207    4   parsed_2m3t   1   
        145    69   209    6   209    6   parsed_2m3t   1   
        146    69   210    4   210    4   parsed_2m3t   1   
        147    70   212    6   212    6   parsed_2m3t   1   
        148    70   213    4   213    4   parsed_2m3t   1   
        149    71   215    6   215    6   parsed_2m3t   1   
        150    71   216    4   216    4   parsed_2m3t   1   
        151    72   218    6   218    6   parsed_2m3t   1   
        152    72   219    4   219    4   parsed_2m3t   1   
        153   
;
assi {73} ( resid 174 and name HD1) ( resid 175 and name HE) 3.0 1.3 5.37 peak  !3
or {73} ( resid 174 and name HD2) ( resid 175 and name HE)
assi {74} ( resid 79 and name HD1) ( resid 34 and name HN) 3.0 1.3 5.21 peak  !1
or {74} ( resid 79 and name HD2) ( resid 34 and name HN)
;
     221    1   225   58   parsed_2m3t   1   
    stop_


    loop_
        _Dist_constraint_parse_err.ID 
        _Dist_constraint_parse_err.Content 
        _Dist_constraint_parse_err.Begin_line 
        _Dist_constraint_parse_err.Begin_column 
        _Dist_constraint_parse_err.End_line 
        _Dist_constraint_parse_err.End_column 
        _Dist_constraint_parse_err.Entry_ID 
        _Dist_constraint_parse_err.Distance_constraint_list_ID 

         1   
;
assi {0} ( resid 19 and name HD1) ( resid 19 and name HE)   3.0   2.5   3.5 peak
or {0} ( resid 19 and name HD2) ( resid 19 and name HE)
;
     1   1     2   55   parsed_2m3t   1   
         2   
;
assi {1} ( resid 19 and name HG1) ( resid 19 and name HE)   3.0   2.5   3.5 peak 
or {1} ( resid 19 and name HG2) ( resid 19 and name HE)
;
     4   1     5   55   parsed_2m3t   1   
         3   
;
assi {2} ( resid 19 and name HG1) ( resid 19 and name HE)   3.0   2.5   3.5 peak 
or {2} ( resid 19 and name HG2) ( resid 19 and name HE)
;
     7   1     8   55   parsed_2m3t   1   
         4   
;
assi {3} ( resid 34 and name HB1) ( resid 19 and name HE) 3.0 1.3 4.09 peak  !1
or {3} ( resid 34 and name HB2) ( resid 19 and name HE)
;
    10   1    11   55   parsed_2m3t   1   
         5   
;
assi {4} ( resid 9 and name HG21) ( resid 20 and name HE)   3.0   2.5   3.5 peak 
or {4} ( resid 9 and name HG22) ( resid 20 and name HE)
or {4} ( resid 9 and name HG23) ( resid 20 and name HE)
;
    13   1    15   55   parsed_2m3t   1   
         6   
;
assi {5} ( resid 20 and name HB1) ( resid 20 and name HE)   3.0   2.5   3.5 peak 
or {5} ( resid 20 and name HB2) ( resid 20 and name HE)
;
    17   1    18   55   parsed_2m3t   1   
         7   
;
assi {6} ( resid 20 and name HB1) ( resid 20 and name HE)   3.0   2.5   3.5 peak 
or {6} ( resid 20 and name HB2) ( resid 20 and name HE)
;
    20   1    21   55   parsed_2m3t   1   
         8   
;
assi {7} ( resid 20 and name HD1) ( resid 20 and name HE)   3.0   2.5   3.5 peak 
or {7} ( resid 20 and name HD2) ( resid 20 and name HE)
;
    23   1    24   55   parsed_2m3t   1   
         9   
;
assi {8} ( resid 20 and name HD1) ( resid 20 and name HE)   3.0   2.5   3.5 peak 
or {8} ( resid 20 and name HD2) ( resid 20 and name HE)
;
    26   1    27   55   parsed_2m3t   1   
        10   
;
assi {9} ( resid 20 and name HG1) ( resid 20 and name HE)   3.0   2.5   3.5 peak 
or {9} ( resid 20 and name HG2) ( resid 20 and name HE)
;
    29   1    30   55   parsed_2m3t   1   
        11   
;
assi {10} ( resid 20 and name HG1) ( resid 20 and name HE)   3.0   2.5   3.5 peak 
or {10} ( resid 20 and name HG2) ( resid 20 and name HE)
;
    32   1    33   56   parsed_2m3t   1   
        12   
;
assi {11} ( resid 12 and name HB1) ( resid 36 and name HE)   3.0   2.5   3.5 peak 
or {11} ( resid 12 and name HB2) ( resid 36 and name HE)
;
    35   1    36   56   parsed_2m3t   1   
        13   
;
assi {12} ( resid 12 and name HB1) ( resid 36 and name HE)   3.0   2.5   3.5 peak 
or {12} ( resid 12 and name HB2) ( resid 36 and name HE)
;
    38   1    39   56   parsed_2m3t   1   
        14   
;
assi {13} ( resid 36 and name HB1) ( resid 36 and name HE)   3.0   2.5   3.5 peak 
or {13} ( resid 36 and name HB2) ( resid 36 and name HE)
;
    41   1    42   56   parsed_2m3t   1   
        15   
;
assi {14} ( resid 36 and name HB1) ( resid 36 and name HE)   3.0   2.5   3.5 peak 
or {14} ( resid 36 and name HB2) ( resid 36 and name HE)
;
    44   1    45   56   parsed_2m3t   1   
        16   
;
assi {15} ( resid 36 and name HD1) ( resid 36 and name HE)   3.0   2.5   3.5 peak 
or {15} ( resid 36 and name HD2) ( resid 36 and name HE)
;
    47   1    48   56   parsed_2m3t   1   
        17   
;
assi {16} ( resid 36 and name HG1) ( resid 36 and name HE)   3.0   2.5   3.5 peak 
or {16} ( resid 36 and name HG2) ( resid 36 and name HE)
;
    50   1    51   56   parsed_2m3t   1   
        18   
;
assi {17} ( resid 36 and name HG1) ( resid 36 and name HE)   3.0   2.5   3.5 peak 
or{17}  ( resid 36 and name HG2) ( resid 36 and name HE)
;
    53   1    54   56   parsed_2m3t   1   
        19   
;
assi {18} ( resid 38 and name HB1) ( resid 36 and name HE)   3.0   2.5   3.5 peak 
or {18} ( resid 38 and name HB2) ( resid 36 and name HE)
;
    56   1    57   56   parsed_2m3t   1   
        20   
;
assi {19} ( resid 38 and name HD21) ( resid 36 and name HE)   3.0   2.5   3.5 peak 

;
    59   1    60   83   parsed_2m3t   1   
        21   
;
assi {20} ( resid 38 and name HD22) ( resid 36 and name HE)   3.0   2.5   3.5 peak 

;
    61   1    62   83   parsed_2m3t   1   
        22   
;
assi {21} ( resid 52 and name HN) ( resid 52 and name HE)   3.0   2.5   3.5 peak 

;
    63   1    64   81   parsed_2m3t   1   
        23   
;
assi {22} ( resid 52 and name HB1) ( resid 52 and name HE)   3.0   2.5   3.5 peak 
or {22} ( resid 52 and name HB2) ( resid 52 and name HE)
;
    65   1    66   56   parsed_2m3t   1   
        24   
;
assi {23} ( resid 52 and name HD1) ( resid 52 and name HE)   3.0   2.5   3.5 peak 
or {23} ( resid 52 and name HD2) ( resid 52 and name HE)
;
    68   1    69   56   parsed_2m3t   1   
        25   
;
assi {24} ( resid 52 and name HD1) ( resid 52 and name HE)   3.0   2.5   3.5 peak 
or {24} ( resid 52 and name HD2) ( resid 52 and name HE)
;
    71   1    72   56   parsed_2m3t   1   
        26   
;
assi {25} ( resid 52 and name HG1) ( resid 52 and name HE)   3.0   2.5   3.5 peak 
or {25} ( resid 52 and name HG2) ( resid 52 and name HE)
;
    74   1    75   56   parsed_2m3t   1   
        27   
;
assi {26} ( resid 68 and name HD1) ( resid 72 and name HE)   3.0   2.5   3.5 peak 
or {26} ( resid 68 and name HD2) ( resid 72 and name HE)
;
    77   1    78   56   parsed_2m3t   1   
        28   
;
assi {27} ( resid 68 and name HD1) ( resid 72 and name HE)   3.0   2.5   3.5 peak 
or {27} ( resid 68 and name HD2) ( resid 72 and name HE)
;
    80   1    81   56   parsed_2m3t   1   
        29   
;
assi {28} ( resid 68 and name HG1) ( resid 72 and name HE) 3.0 1.3 4.01 peak  !1
or {28} ( resid 68 and name HG2) ( resid 72 and name HE)
;
    83   1    84   56   parsed_2m3t   1   
        30   
;
assi {29} ( resid 69 and name HB1) ( resid 72 and name HE)   3.0   2.5   3.5 peak 
or {29} ( resid 69 and name HB2) ( resid 72 and name HE)
;
    86   1    87   56   parsed_2m3t   1   
        31   
;
assi {30} ( resid 69 and name HG1) ( resid 72 and name HE) 3.0 1.3 4.71 peak  !2
or {30} ( resid 69 and name HG2) ( resid 72 and name HE)
;
    89   1    90   56   parsed_2m3t   1   
        32   
;
assi {31} ( resid 72 and name HA) ( resid 72 and name HE)   3.0   2.5   3.5 peak 

;
    92   1    93   81   parsed_2m3t   1   
        33   
;
assi {32} ( resid 72 and name HB1) ( resid 72 and name HE)   3.0   2.5   3.5 peak 
or {32} ( resid 72 and name HB2) ( resid 72 and name HE)
;
    94   1    95   56   parsed_2m3t   1   
        34   
;
assi {33} ( resid 72 and name HB1) ( resid 72 and name HE)   3.0   2.5   3.5 peak 
or {33} ( resid 72 and name HB2) ( resid 72 and name HE)
;
    97   1    98   56   parsed_2m3t   1   
        35   
;
assi {34} ( resid 72 and name HD1) ( resid 72 and name HE)   3.0   2.5   3.5 peak 
or {34} ( resid 72 and name HD2) ( resid 72 and name HE)
;
   100   1   101   56   parsed_2m3t   1   
        36   
;
assi {35} ( resid 72 and name HG1) ( resid 72 and name HE)   3.0   2.5   3.5 peak 
or {35} ( resid 72 and name HG2) ( resid 72 and name HE)
;
   103   1   104   56   parsed_2m3t   1   
        37   
;
assi {36} ( resid 51 and name HG1) ( resid 79 and name HE)   3.0   2.5   3.5 peak 
or {36} ( resid 51 and name HG2) ( resid 79 and name HE)
;
   106   1   107   56   parsed_2m3t   1   
        38   
;
assi {37} ( resid 79 and name HD1) ( resid 79 and name HE)   3.0   2.5   3.5 peak 
or {37} ( resid 79 and name HD2) ( resid 79 and name HE)
;
   109   1   110   56   parsed_2m3t   1   
        39   
;
assi {38} ( resid 79 and name HG1) ( resid 79 and name HE)   3.0   2.5   3.5 peak 
or {38} ( resid 79 and name HG2) ( resid 79 and name HE)
;
   112   1   113   56   parsed_2m3t   1   
        40   
;
assi {39} ( resid 84 and name HB1) ( resid 84 and name HE)   3.0   2.5   3.5 peak 
or {39} ( resid 84 and name HB2) ( resid 84 and name HE)
;
   115   1   116   56   parsed_2m3t   1   
        41   
;
assi {40} ( resid 84 and name HD1) ( resid 84 and name HE)   3.0   2.5   3.5 peak 
or {40} ( resid 84 and name HD2) ( resid 84 and name HE)
;
   118   1   119   56   parsed_2m3t   1   
        42   
;
assi {41} ( resid 84 and name HG1) ( resid 84 and name HE)   3.0   2.5   3.5 peak 
or {41} ( resid 84 and name HG2) ( resid 84 and name HE)
;
   121   1   122   56   parsed_2m3t   1   
        43   
;
assi {42} ( resid 125 and name HA) ( resid 125 and name HE)   3.0   2.5   3.5 peak 

;
   124   1   125   83   parsed_2m3t   1   
        44   
;
assi {43} ( resid 125 and name HB1) ( resid 125 and name HE)   3.0   2.5   3.5 peak 
or {43} ( resid 125 and name HB2) ( resid 125 and name HE)
;
   126   1   127   58   parsed_2m3t   1   
        45   
;
assi {44} ( resid 125 and name HB1) ( resid 125 and name HE)   3.0   2.5   3.5 peak 
or {44} ( resid 125 and name HB2) ( resid 125 and name HE)
;
   129   1   130   58   parsed_2m3t   1   
        46   
;
assi {45} ( resid 125 and name HD1) ( resid 125 and name HE)   3.0   2.5   3.5 peak 
or {45} ( resid 125 and name HD2) ( resid 125 and name HE)
;
   132   1   133   58   parsed_2m3t   1   
        47   
;
assi {46} ( resid 125 and name HG1) ( resid 125 and name HE)   3.0   2.5   3.5 peak 
or {46} ( resid 125 and name HG2) ( resid 125 and name HE)
;
   135   1   136   58   parsed_2m3t   1   
        48   
;
assi {47} ( resid 142 and name HD11) ( resid 146 and name HE) 3.0 1.3 4.7 peak  !2
or {47} ( resid 142 and name HD12) ( resid 146 and name HE)
or {47} ( resid 142 and name HD13) ( resid 146 and name HE)
or {47} ( resid 142 and name HD21) ( resid 146 and name HE)
or {47} ( resid 142 and name HD22) ( resid 146 and name HE)
or {47} ( resid 142 and name HD23) ( resid 146 and name HE)
;
   138   1   143   59   parsed_2m3t   1   
        49   
;
assi {48} ( resid 144 and name HB1) ( resid 146 and name HE)   3.0   2.5   3.5 peak 
or {48} ( resid 144 and name HB2) ( resid 146 and name HE)
;
   145   1   146   58   parsed_2m3t   1   
        50   
;
assi {49} ( resid 145 and name HB1) ( resid 146 and name HE) 3.0 1.3 4.51 peak  !2
or {49} ( resid 145 and name HB2) ( resid 146 and name HE)
;
   148   1   149   58   parsed_2m3t   1   
        51   
;
assi {50} ( resid 146 and name HB1) ( resid 146 and name HE)   3.0   2.5   3.5 peak 
or {50} ( resid 146 and name HB2) ( resid 146 and name HE)
;
   151   1   152   58   parsed_2m3t   1   
        52   
;
assi {51} ( resid 146 and name HB1) ( resid 146 and name HE)   3.0   2.5   3.5 peak 
or {51} ( resid 146 and name HB2) ( resid 146 and name HE)
;
   154   1   155   58   parsed_2m3t   1   
        53   
;
assi {52} ( resid 146 and name HD1) ( resid 146 and name HE)   3.0   2.5   3.5 peak 
or {52} ( resid 146 and name HD2) ( resid 146 and name HE)
;
   157   1   158   58   parsed_2m3t   1   
        54   
;
assi {53} ( resid 146 and name HD1) ( resid 146 and name HE)   3.0   2.5   3.5 peak 
or {53} ( resid 146 and name HD2) ( resid 146 and name HE)
;
   160   1   161   58   parsed_2m3t   1   
        55   
;
assi {54} ( resid 148 and name HD1) ( resid 148 and name HE)   3.0   2.5   3.5 peak 
or {54} ( resid 148 and name HD2) ( resid 148 and name HE)
;
   163   1   164   58   parsed_2m3t   1   
        56   
;
assi {55} ( resid 148 and name HD1) ( resid 148 and name HE)   3.0   2.5   3.5 peak 
or {55} ( resid 148 and name HD2) ( resid 148 and name HE)
;
   166   1   167   58   parsed_2m3t   1   
        57   
;
assi {56} ( resid 148 and name HG1) ( resid 148 and name HE)   3.0   2.5   3.5 peak 
or {56} ( resid 148 and name HG2) ( resid 148 and name HE)
;
   169   1   170   58   parsed_2m3t   1   
        58   
;
assi {57} ( resid 158 and name HB1) ( resid 158 and name HE)   3.0   2.5   3.5 peak 
or {57} ( resid 158 and name HB2) ( resid 158 and name HE)
;
   172   1   173   58   parsed_2m3t   1   
        59   
;
assi {58} ( resid 158 and name HD1) ( resid 158 and name HE)   3.0   2.5   3.5 peak 
or {58} ( resid 158 and name HD2) ( resid 158 and name HE)
;
   175   1   176   58   parsed_2m3t   1   
        60   
;
assi {59} ( resid 158 and name HG1) ( resid 158 and name HE)   3.0   2.5   3.5 peak 
or {59} ( resid 158 and name HG2) ( resid 158 and name HE)
;
   178   1   179   58   parsed_2m3t   1   
        61   
;
assi {60} ( resid 138 and name HG11) ( resid 174 and name HE)   3.0   2.5   3.5 peak 
or {60} ( resid 138 and name HG12) ( resid 174 and name HE)
;
   181   1   182   59   parsed_2m3t   1   
        62   
;
assi {61} ( resid 138 and name HD11) ( resid 174 and name HE)   3.0   2.5   3.5 peak 
or {61} ( resid 138 and name HD12) ( resid 174 and name HE)
or {61} ( resid 138 and name HD13) ( resid 174 and name HE)
;
   184   1   186   59   parsed_2m3t   1   
        63   
;
assi {62} ( resid 138 and name HG21) ( resid 174 and name HE)   3.0   2.5   3.5 peak 
or {62} ( resid 138 and name HG22) ( resid 174 and name HE)
or {62} ( resid 138 and name HG23) ( resid 174 and name HE)
;
   188   1   190   59   parsed_2m3t   1   
        64   
;
assi {63} ( resid 173 and name HA) ( resid 174 and name HE)   3.0   2.5   3.5 peak 

;
   192   1   193   83   parsed_2m3t   1   
        65   
;
assi {64} ( resid 174 and name HB1) ( resid 174 and name HE)   3.0   2.5   3.5 peak 
or {64} ( resid 174 and name HB2) ( resid 174 and name HE)
;
   194   1   195   58   parsed_2m3t   1   
        66   
;
assi {65} ( resid 174 and name HB1) ( resid 174 and name HE)   3.0   2.5   3.5 peak 
or {65} ( resid 174 and name HB2) ( resid 174 and name HE)
;
   197   1   198   58   parsed_2m3t   1   
        67   
;
assi {66} ( resid 174 and name HD1) ( resid 174 and name HE)   3.0   2.5   3.5 peak 
or {66} ( resid 174 and name HD2) ( resid 174 and name HE)
;
   200   1   201   58   parsed_2m3t   1   
        68   
;
assi {67} ( resid 174 and name HD1) ( resid 174 and name HE)   3.0   2.5   3.5 peak 
or {67} ( resid 174 and name HD2) ( resid 174 and name HE)
;
   203   1   204   58   parsed_2m3t   1   
        69   
;
assi {68} ( resid 174 and name HG1) ( resid 174 and name HE)   3.0   2.5   3.5 peak 
or {68} ( resid 174 and name HG2) ( resid 174 and name HE)
;
   206   1   207   58   parsed_2m3t   1   
        70   
;
assi {69} ( resid 174 and name HG1) ( resid 174 and name HE)   3.0   2.5   3.5 peak 
or {69} ( resid 174 and name HG2) ( resid 174 and name HE)
;
   209   1   210   58   parsed_2m3t   1   
        71   
;
assi {70} ( resid 175 and name HB1) ( resid 175 and name HE)   3.0   2.5   3.5 peak 
or {70} ( resid 175 and name HB2) ( resid 175 and name HE)
;
   212   1   213   58   parsed_2m3t   1   
        72   
;
assi {71} ( resid 175 and name HD1) ( resid 175 and name HE)   3.0   2.5   3.5 peak 
or {71} ( resid 175 and name HD2) ( resid 175 and name HE)
;
   215   1   216   58   parsed_2m3t   1   
        73   
;
assi {72} ( resid 175 and name HG1) ( resid 175 and name HE)   3.0   2.5   3.5 peak 
or {72} ( resid 175 and name HG2) ( resid 175 and name HE)
;
   218   1   219   58   parsed_2m3t   1   
    stop_

save_





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