Content for NMR-STAR saveframe, "spectral_peak_list_3"
save_spectral_peak_list_3
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_3
_Spectral_peak_list.Entry_ID 51188
_Spectral_peak_list.ID 3
_Spectral_peak_list.Name .
_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 3
_Spectral_peak_list.Experiment_name HMCMCGCBCACO
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_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 w3
V214CG1-C-HG1 21.915 174.779 0.947
V214CG2-C-HG2 21.915 174.861 0.895
L228CD1-C-HD1 21.735 178.124 0.755
L228CD2-C-HD2 25.732 177.996 0.745
L229CD1-C-HD1 22.106 179.172 0.673
L232CD1-C-HD1 20.862 178.298 0.852
L238CD1-C-HD1 24.556 176.709 0.954
V242CG1-C-HG1 23.060 179.626 0.959
V256CG1-C-HG1 21.498 174.742 0.678
V256CG2-C-HG2 22.535 174.664 0.936
L258CD1-C-HD1 23.061 178.105 0.909
L260CD1-C-HD1 25.378 177.894 0.398
L260CD2-C-HD2 24.572 177.906 0.373
V263CG2-C-HG2 21.911 177.832 0.958
L267CD1-C-HD1 22.550 179.066 0.445
L279CD1-C-HD1 28.716 178.366 0.947
L279CD2-C-HD2 23.935 178.334 0.779
L288CD1-C-HD1 25.198 178.567 0.926
L299CD1-C-HD1 22.112 176.934 -0.086
L303CD1-C-HD1 22.749 178.297 0.333
L304CD1-C-HD1 21.640 179.082 0.447
I320CD1-C-HD1 13.736 175.915 0.898
L323CD2-C-HD2 23.481 176.720 0.524
V329CG1-C-HG1 20.207 173.274 0.972
V329CG2-C-HG2 22.363 173.266 0.961
I332CD1-C-HD1 13.801 174.977 0.539
V337CG1-C-HG1 19.148 174.703 0.415
I350CD1-C-HD1 13.544 174.213 0.262
L352CD1-C-HD1 27.056 175.725 0.426
L352CD2-C-HD2 21.226 175.730 -0.153
I354CD1-C-HD1 14.130 176.178 0.293
I360CD1-C-HD1 15.380 175.794 0.931
V365CG1-C-HG1 23.848 178.861 1.153
V365CG2-C-HG2 21.446 178.854 1.052
V370CG1-C-HG1 22.170 176.604 0.903
V370CG2-C-HG2 21.073 176.600 1.016
L373CD1-C-HD1 26.664 174.155 0.793
L373CD2-C-HD2 23.583 174.147 0.806
L386CD1-C-HD1 22.658 178.618 0.580
L386CD2-C-HD2 25.356 178.612 0.806
V393CG1-C-HG1 21.196 176.123 0.731
L396CD1-C-HD1 23.462 178.135 0.831
L398CD1-C-HD1 29.164 174.192 0.629
L398CD2-C-HD2 23.539 174.185 0.338
L402CD1-C-HD1 25.516 175.167 0.137
L402CD2-C-HD2 23.757 175.180 0.477
L404CD1-C-HD1 27.547 175.989 0.850
L406CD1-C-HD1 24.263 178.166 0.703
I419CD1-C-HD1 14.013 174.418 0.753
I421CD1-C-HD1 13.424 176.226 0.807
L431CD1-C-HD1 25.049 173.118 -0.171
L431CD2-C-HD2 24.135 173.105 0.383
L433CD1-C-HD1 21.728 177.376 -0.207
L437CD1-C-HD1 27.727 178.373 1.079
L437CD2-C-HD2 23.672 178.418 0.761
I449CD1-C-HD1 12.386 176.330 0.842
L450CD1-C-HD1 27.457 174.377 1.016
L450CD2-C-HD2 21.027 174.400 0.405
L454CD1-C-HD1 26.222 175.549 0.955
L454CD2-C-HD2 24.425 175.487 0.767
V455CG1-C-HG1 23.188 175.262 1.048
V455CG2-C-HG2 21.933 175.063 0.937
V466CG1-C-HG1 22.138 172.778 0.720
V466CG2-C-HG2 20.570 172.684 0.678
V467CG1-C-HG1 21.067 171.120 1.176
V467CG2-C-HG2 22.892 171.397 0.964
L469CD1-C-HD1 27.584 175.569 0.217
L469CD2-C-HD2 26.590 175.560 0.353
V485CG1-C-HG1 20.669 175.743 -0.009
V485CG2-C-HG2 20.885 175.859 0.504
I494CD1-C-HD1 14.117 175.402 0.596
L505CD1-C-HD1 25.223 177.731 0.869
L505CD2-C-HD2 23.302 177.737 0.795
V507CG1-C-HG1 21.168 176.487 0.834
V507CG2-C-HG2 20.709 176.488 0.820
L516CD2-C-HD2 23.080 174.899 0.120
V517CG1-C-HG1 21.657 175.457 1.202
V517CG2-C-HG2 20.645 175.517 0.738
I519CD1-C-HD1 12.943 175.437 0.217
L524CD1-C-HD1 26.103 177.778 0.872
L524CD2-C-HD2 25.034 177.769 0.833
V527CG1-C-HG1 23.059 177.030 0.869
L528CD1-C-HD1 25.160 175.736 0.607
L528CD2-C-HD2 22.844 175.744 0.753
V531CG1-C-HG1 22.387 175.894 1.152
V531CG2-C-HG2 22.105 175.924 0.829
I536CD1-C-HD1 14.462 173.556 0.612
L540CD1-C-HD1 22.840 177.363 0.747
V541CG1-C-HG1 21.138 178.351 0.784
L544CD1-C-HD1 21.348 180.670 0.631
I550CD1-C-HD1 12.881 179.026 0.819
;
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 . . CO 13 CO . . . ppm . . . . . . 51188 3
2 . . N 15 NH . . . ppm . . . . . . 51188 3
3 . . HN 1 HN . . . ppm . . . . . . 51188 3
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 . . 51188 3
stop_
save_