Content for NMR-STAR saveframe, "spectral_peak_list_1"

    save_spectral_peak_list_1
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     spectral_peak_list_1
   _Spectral_peak_list.Entry_ID                         52542
   _Spectral_peak_list.ID                               1
   _Spectral_peak_list.Name                             15N-HSQC
   _Spectral_peak_list.Sample_ID                        1
   _Spectral_peak_list.Sample_label                     $sample_1
   _Spectral_peak_list.Sample_condition_list_ID         1
   _Spectral_peak_list.Sample_condition_list_label      $sample_conditions_1
   _Spectral_peak_list.Chem_shift_reference_ID          1
   _Spectral_peak_list.Chem_shift_reference_label       $chem_shift_reference_1
   _Spectral_peak_list.Experiment_ID                    1
   _Spectral_peak_list.Experiment_name                  '2D 1H-15N HSQC'
   _Spectral_peak_list.Experiment_class                 .
   _Spectral_peak_list.Experiment_type                  .
   _Spectral_peak_list.Number_of_spectral_dimensions    2
   _Spectral_peak_list.Chemical_shift_list              .
   _Spectral_peak_list.Assigned_chem_shift_list_ID      1
   _Spectral_peak_list.Assigned_chem_shift_list_label   $assigned_chemical_shifts_1
   _Spectral_peak_list.Details                          .
   _Spectral_peak_list.Text_data_format                 text
   _Spectral_peak_list.Text_data
;
Assignment         w1         w2  

              ?-?    111.801      8.655 
              ?-?    122.892      8.194 
              ?-?    121.429      7.938 
              ?-?    118.785      8.519 
              ?-?    118.008      6.590 
              ?-?    125.556      7.697 
              ?-?    113.062      7.874 
              ?-?    116.048      7.725 
              ?-?    113.085      7.683 
              ?-?    114.109      7.314 
              ?-?    118.357      6.799 
              ?-?    118.743      7.820 
              ?-?    118.687      7.754 
              ?-?    113.574      7.113 
              ?-?    123.930      7.373 
              ?-?    109.187      8.275 
              ?-?    113.622      8.818 
              ?-?    125.580      7.806 
              ?-?    117.992      7.332 
              ?-?    113.126      7.065 
              ?-?    112.559      8.749 
              ?-?    112.527      8.858 
              ?-?    122.407      9.871 
              ?-?    113.944      6.905 
              ?-?    119.474      7.696 
            G3N-H    109.548      8.623 
            S4N-H    116.435      8.364 
            D5N-H    121.741      8.536 
            F6N-H    121.000      8.365 
            D7N-H    118.514      8.172 
            V8N-H    120.062      7.751 
            K9N-H    120.994      7.938 
           R10N-H    118.715      8.833 
           K11N-H    119.210      7.750 
           Y12N-H    121.391      7.760 
           F13N-H    120.245      8.963 
           R14N-H    115.756      8.353 
           Q15N-H    119.674      7.963 
           E16N-H    120.245      8.301 
           E18N-H    117.631      7.787 
           R19N-H    120.572      7.764 
           L20N-H    118.289      7.632 
           D21N-H    117.180      7.296 
           E22N-H    121.999      7.270 
           G23N-H    111.316      8.756 
           L24N-H    121.540      7.694 
           R25N-H    126.926      8.708 
           K26N-H    124.339      8.222 
           E27N-H    120.818      8.032 
           D28N-H    119.923      8.252 
           M29N-H    126.557      9.023 
           A30N-H    129.884      8.399 
           H32N-H    127.003      8.929 
           V33N-H    113.390      8.337 
           R35N-H    124.162      9.281 
           D36N-H    112.741      8.626 
           H37N-H    119.028      7.941 
           V38N-H    120.411      8.146 
           F39N-H    124.381      9.537 
           E40N-H    118.140      9.126 
           D41N-H    119.985      8.934 
           R44N-H    122.173      8.113 
           E45N-H    115.204      8.084 
           L46N-H    112.858      8.040 
           H47N-H    119.860      8.622 
           R48N-H    115.597      7.863 
           K49N-H    118.391      6.863 
           S50N-H    120.914      9.634 
           E52N-H    113.530      8.014 
           E53N-H    120.640      7.791 
           M54N-H    113.061      7.370 
           K55N-H    117.388      7.080 
           N56N-H    115.479      7.175 
           R57N-H    118.699      7.918 
           L58N-H    124.484      8.721 
           Y59N-H    125.032      8.221 
           I60N-H    124.535      7.963 
           V61N-H    127.175      8.281 
           F62N-H    127.246      8.596 
           E63N-H    125.405      8.791 
           G64N-H    113.903      8.982 
           E65N-H    119.344      7.847 
           E66N-H    122.163      8.680 
           G67N-H    110.085      8.599 
           Q68N-H    119.469      8.055 
           D69N-H    120.383      8.247 
           A70N-H    127.746      8.668 
           G71N-H    107.750      8.641 
           G72N-H    111.534      8.249 
           L73N-H    122.588      8.063 
           L74N-H    120.255      7.871 
           R75N-H    117.319      7.799 
           E76N-H    120.472      8.237 
           W77N-H    120.633      8.961 
       W77NE1-HE1    126.075      9.553 
           Y78N-H    116.990      8.661 
           M79N-H    119.260      7.953 
           I80N-H    119.607      8.605 
           I81N-H    120.557      8.799 
           S82N-H    114.154      7.617 
           R83N-H    118.380      7.113 
           E84N-H    118.823      8.555 
           M85N-H    114.643      7.691 
           F86N-H    113.792      6.388 
           N87N-H    123.708      7.853 
           M89N-H    118.113      8.518 
           Y90N-H    116.204      6.997 
           A91N-H    113.628      7.395 
           L92N-H    115.560      7.710 
           F93N-H    112.798      7.682 
           R94N-H    120.161      9.588 
           T95N-H    114.099      8.479 
           S96N-H    119.375      8.272 
           G98N-H    108.629      7.976 
           D99N-H    119.690      8.279 
          R100N-H    117.370      7.634 
          V101N-H    124.691      8.317 
          T102N-H    117.585      7.333 
          Y103N-H    118.304      8.312 
          T104N-H    111.644      8.855 
          I105N-H    124.407      8.147 
          N106N-H    125.365      8.645 
          S108N-H    112.154      7.291 
          S109N-H    117.588      7.751 
          N114N-H    114.394      7.728 
          H115N-H    119.256      8.497 
          L116N-H    119.360      7.591 
          S117N-H    114.935      7.695 
          Y118N-H    121.268      8.070 
          F119N-H    119.007      9.136 
          Y131N-H    125.820      9.607 
          D132N-H    119.160      9.015 
          N133N-H    119.326      8.240 
          R134N-H    119.414      8.480 
          L135N-H    120.903      7.758 
          L136N-H    119.885      8.420 
          E137N-H    121.952      8.190 
          C138N-H    117.745      6.824 
          Y139N-H    121.839      7.575 
          F140N-H    120.474      7.608 
          T141N-H    109.843      7.569 
          R142N-H    120.865      8.550 
          L149N-H    116.564      7.395 
          G150N-H    106.712      7.795 
          K151N-H    120.223      8.156 
          S152N-H    117.299      8.398 
          V153N-H    119.806      8.498 
          R154N-H    123.024      8.977 
          Y155N-H    122.211      9.490 
          T156N-H    108.350      6.146 
          D157N-H    122.240      8.102 
          M158N-H    115.322      7.760 
          E159N-H    120.489      6.651 
          S160N-H    106.842      7.514 
          E161N-H    119.956      7.011 
          D162N-H    118.645      8.433 
          Y163N-H    126.252      8.879 
          H164N-H    116.622      8.602 
          F165N-H    122.587      7.892 
          Y166N-H    119.756      8.588 
          Q167N-H    116.954      8.398 
          G168N-H    106.651      7.333 
          L169N-H    122.623      7.366 
          V170N-H    118.769      7.787 
          Y171N-H    118.006      7.591 
          L172N-H    118.229      7.386 
          L173N-H    115.089      7.776 
          E174N-H    115.450      7.689 
          N175N-H    117.334      7.091 
          D176N-H    117.798      8.116 
          V177N-H    127.227      9.350 
          S178N-H    118.320      9.113 
          T179N-H    111.141      7.884 
          L180N-H    121.075      7.174 
          G181N-H    103.746      8.152 
          Y182N-H    115.173      6.882 
          D183N-H    118.782      8.467 
          L184N-H    124.426      8.959 
          T185N-H    109.676      7.949 
          F186N-H    121.823      8.121 
          S187N-H    117.152      9.058 
          T188N-H    114.395      8.745 
          E189N-H    125.738      8.173 
          V190N-H    124.051      8.915 
          Q191N-H    126.038      8.473 
          E192N-H    125.734      8.236 
          F193N-H    127.226      9.808 
          G194N-H    103.574      8.493 
          V195N-H    121.539      7.602 
          C196N-H    126.816      8.756 
          E197N-H    125.642      8.758 
          V198N-H    123.167      8.556 
          R199N-H    128.264      8.955 
          D200N-H    123.542      8.566 
          L201N-H    118.606      8.870 
          K202N-H    112.958      7.835 
          N204N-H    119.597      9.087 
          G205N-H    104.707      8.252 
          A206N-H    120.810      8.142 
          N207N-H    111.261      7.952 
          I208N-H    123.460      7.850 
          L209N-H    126.331      7.955 
          V210N-H    124.188      8.297 
          T211N-H    120.618      9.666 
          E212N-H    118.465      9.008 
          E213N-H    114.965      7.941 
          N214N-H    114.522      7.363 
          K215N-H    117.660      7.734 
          K216N-H    120.808      8.472 
          E217N-H    122.781      7.632 
          Y218N-H    119.247      7.984 
          V219N-H    118.252      8.292 
          H220N-H    117.892      7.682 
          L221N-H    117.551      8.556 
          V222N-H    122.444      9.333 
          C223N-H    120.462      7.684 
          T228N-H    107.152      7.667 
          G229N-H    110.857      8.580 
          I231N-H    106.686      6.930 
          R232N-H    121.842      6.965 
          K233N-H    117.797      8.620 
          Q234N-H    123.505      9.728 
          E244N-H    116.179      7.199 
          I245N-H    115.340      7.072 
          K248N-H    126.208      8.353 
          R249N-H    114.965      8.715 
          L250N-H    117.368      7.424 
          S252N-H    110.604      7.804 
          I253N-H    114.829      6.875 
          F254N-H    121.089      7.366 
          T255N-H    109.330      8.948 
          E256N-H    119.610     10.391 
          Q257N-H    119.119      8.061 
          E258N-H    119.274      7.359 
          E260N-H    117.620      6.820 
          L261N-H    119.192      7.046 
          I263N-H    114.398      7.681 
          S264N-H    109.956      8.157 
          G265N-H    111.988      8.087 
          L266N-H    126.117      7.594
;

   loop_
      _Spectral_dim.ID
      _Spectral_dim.Axis_code
      _Spectral_dim.Spectrometer_frequency
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Magnetization_linkage_ID
      _Spectral_dim.Under_sampling_type
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Value_first_point
      _Spectral_dim.Absolute_peak_positions
      _Spectral_dim.Acquisition
      _Spectral_dim.Center_frequency_offset
      _Spectral_dim.Encoding_code
      _Spectral_dim.Encoded_reduced_dimension_ID
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

      1   .   .   N   15   N    .   aliased          30   ppm   .   .   .   .   .   .   52542   1
      2   .   .   H   1    HN   .   'not observed'   12   ppm   .   .   .   .   .   .   52542   1
   stop_

   loop_
      _Spectral_peak_software.Software_ID
      _Spectral_peak_software.Software_label
      _Spectral_peak_software.Method_ID
      _Spectral_peak_software.Method_label
      _Spectral_peak_software.Entry_ID
      _Spectral_peak_software.Spectral_peak_list_ID

      2   $software_2   .   .   52542   1
      3   $software_3   .   .   52542   1
   stop_
save_