Content for NMR-STAR saveframe, "spectral_peak_list_4"
save_spectral_peak_list_4
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_4
_Spectral_peak_list.Entry_ID 51188
_Spectral_peak_list.ID 4
_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 4
_Spectral_peak_list.Experiment_name HMCMCGCBCA
_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-CA-HG1 21.915 60.121 0.944
V214CG2-CA-HG2 21.930 60.052 0.889
V214CG1-CB-HG1 21.921 34.946 0.945
V214CG2-CB-HG2 21.926 34.917 0.890
L216CD1-CA-HD1 24.495 53.251 0.639
L216CD2-CA-HD2 29.377 53.331 0.875
L216CD1-CB-HD1 24.487 44.901 0.638
L216CD2-CB-HD2 29.409 44.889 0.874
L216CD1-CG-HD1 24.487 26.504 0.641
L228CD1-CA-HD1 21.740 56.772 0.753
L228CD2-CA-HD2 25.729 56.820 0.759
L228CD1-CB-HD1 21.732 40.926 0.753
L228CD2-CB-HD2 25.732 40.996 0.755
L228CD1-CG-HD1 21.730 26.333 0.750
L229CD1-CA-HD1 22.104 58.256 0.667
L229CD1-CB-HD1 22.099 41.399 0.667
L229CD1-CG-HD1 22.099 26.037 0.667
L232CD1-CA-HD1 20.837 57.425 0.849
L232CD1-CB-HD1 20.840 41.065 0.848
L232CD1-CG-HD1 20.864 25.735 0.850
L238CD1-CA-HD1 24.540 57.179 0.951
L238CD1-CB-HD1 24.564 39.891 0.951
L238CD1-CG-HD1 24.576 27.283 0.952
V242CG1-CA-HG1 23.021 65.779 0.952
V242CG2-CA-HG2 20.656 65.772 0.443
V242CG1-CB-HG1 23.031 31.196 0.953
V242CG2-CB-HG2 20.656 31.279 0.441
V256CG1-CA-HG1 21.446 66.007 0.686
V256CG2-CA-HG2 22.542 65.942 0.934
V256CG1-CB-HG1 21.446 29.013 0.687
V256CG2-CB-HG2 22.556 29.026 0.937
L258CD1-CA-HD1 23.054 56.444 0.902
L258CD1-CB-HD1 23.050 41.474 0.902
L258CD1-CG-HD1 23.050 26.629 0.903
L260CD1-CA-HD1 25.341 56.574 0.398
L260CD2-CA-HD2 24.579 56.574 0.367
L260CD1-CB-HD1 25.356 41.058 0.396
L260CD2-CB-HD2 24.579 41.063 0.369
L260CD1-CG-HD1 25.341 25.449 0.397
L260CD2-CG-HD2 24.611 25.368 0.369
V263CG1-CA-HG1 24.008 65.948 1.112
V263CG2-CA-HG2 21.928 65.935 0.955
V263CG1-CB-HG1 24.004 31.398 1.110
V263CG2-CB-HG2 21.914 31.417 0.954
L267CD1-CA-HD1 22.552 57.303 0.437
L267CD1-CB-HD1 22.537 39.523 0.439
L267CD1-CG-HD1 22.554 25.880 0.440
V274CG1-CA-HG1 23.610 63.018 1.007
V274CG2-CA-HG2 22.015 62.958 1.138
V274CG1-CB-HG1 23.595 34.106 1.006
V274CG2-CB-HG2 21.991 34.088 1.136
L279CD1-CA-HD1 28.748 57.116 0.945
L279CD2-CA-HD2 23.927 57.151 0.771
L279CD1-CB-HD1 28.756 40.338 0.944
L279CD2-CB-HD2 23.953 40.266 0.770
L279CD1-CG-HD1 28.728 26.812 0.942
L279CD2-CG-HD2 23.942 26.837 0.770
L288CD1-CA-HD1 25.189 57.388 0.922
L288CD1-CB-HD1 25.188 41.016 0.922
L288CD1-CG-HD1 25.191 26.612 0.922
L288CD2-CG-HD2 24.356 26.651 0.934
V296CG1-CA-HG1 21.034 64.376 1.130
V296CG2-CA-HG2 23.153 64.387 0.953
V296CG1-CB-HG1 21.025 30.925 1.129
V296CG2-CB-HG2 23.148 30.745 0.947
L299CD1-CA-HD1 22.119 56.973 -0.104
L299CD1-CB-HD1 22.110 39.489 -0.103
L299CD1-CG-HD1 22.105 26.696 -0.104
V302CG1-CA-HG1 21.526 65.894 0.702
V302CG2-CA-HG2 24.404 65.783 0.920
V302CG1-CB-HG1 21.510 30.997 0.707
V302CG2-CB-HG2 24.396 31.016 0.922
L303CD1-CA-HD1 22.741 57.929 0.327
L303CD2-CA-HD2 25.368 57.939 0.454
L303CD1-CB-HD1 22.738 41.076 0.327
L303CD1-CG-HD1 22.742 25.436 0.327
L303CD2-CG-HD2 25.368 25.297 0.446
L304CD1-CA-HD1 21.631 57.269 0.441
L304CD2-CA-HD2 26.215 57.106 0.294
L304CD1-CB-HD1 21.637 38.932 0.441
L304CD2-CB-HD2 26.198 39.024 0.295
L304CD1-CG-HD1 21.635 25.888 0.443
L304CD2-CG-HD2 26.205 25.884 0.293
V307CG1-CA-HG1 21.561 65.309 0.927
V307CG2-CA-HG2 23.203 65.350 0.923
V307CG1-CB-HG1 21.557 30.637 0.930
V316CG1-CA-HG1 23.174 60.129 1.043
V316CG2-CA-HG2 18.951 60.109 0.893
V316CG1-CB-HG1 23.167 30.845 1.043
V316CG2-CB-HG2 18.945 30.852 0.891
I320CD1-CA-HD1 13.730 65.752 0.895
I320CD1-CB-HD1 13.729 32.690 0.895
I320CD1-CG1-HD1 13.731 31.021 0.895
L323CD1-CA-HD1 26.785 56.911 0.469
L323CD2-CA-HD2 23.467 56.773 0.519
L323CD1-CB-HD1 26.755 43.293 0.474
L323CD2-CB-HD2 23.464 43.304 0.519
L323CD2-CG-HD2 23.461 26.432 0.519
V329CG1-CA-HG1 20.192 59.263 0.968
V329CG2-CA-HG2 22.362 59.260 0.958
V329CG1-CB-HG1 20.198 34.904 0.968
V329CG2-CB-HG2 22.368 34.915 0.957
I332CD1-CA-HD1 13.794 60.292 0.533
I332CD1-CB-HD1 13.794 40.102 0.534
I332CD1-CG1-HD1 13.796 27.052 0.533
V337CG1-CA-HG1 19.111 58.430 0.410
V337CG2-CA-HG2 21.166 58.436 0.698
V337CG1-CB-HD1 19.118 34.510 0.410
V337CG2-CB-HG2 21.159 34.474 0.698
I350CD1-CA-HD1 13.541 60.366 0.257
I350CD1-CB-HD1 13.540 40.348 0.257
I350CD1-CG1-HD1 13.543 26.487 0.256
L352CD1-CA-HD1 27.064 52.447 0.422
L352CD2-CA-HD2 21.229 52.455 -0.158
L352CD1-CB-HD1 27.076 42.198 0.421
L352CD2-CB-HD2 21.227 42.183 -0.158
L352CD1-CG-HD1 27.070 25.292 0.422
L352CD2-CG-HD2 21.228 25.246 -0.158
I354CD1-CA-HD1 14.127 59.452 0.288
I354CD1-CB-HD1 14.125 38.612 0.288
I354CD1-CG1-HD1 14.126 25.503 0.287
I360CD1-CA-HD1 15.367 63.304 0.928
I360CD1-CB-HD1 15.372 38.800 0.928
I360CD1-CG1-HD1 15.381 29.466 0.929
V365CG1-CA-HG1 23.838 66.500 1.142
V365CG2-CA-HG2 21.455 66.481 1.047
V365CG1-CB-HG1 23.840 31.459 1.142
V365CG2-CB-HG2 21.445 31.485 1.047
V368CG1-CA-HG1 19.102 60.441 1.456
V368CG2-CA-HG2 22.225 60.450 1.348
V368CG1-CB-HG1 19.111 31.162 1.455
V368CG2-CB-HG2 22.225 31.183 1.348
V370CG1-CA-HG1 22.163 61.437 0.900
V370CG2-CA-HG2 21.064 61.450 1.012
V370CG1-CB-HG1 22.163 32.626 0.900
V370CG2-CB-HG2 21.058 32.612 1.012
L373CD1-CA-HD1 26.689 54.045 0.789
L373CD2-CA-HD2 23.582 53.993 0.801
L373CD1-CB-HD1 26.655 38.968 0.787
L373CD2-CB-HD1 23.574 38.921 0.802
L373CD1-CG-HD1 26.692 26.443 0.789
L373CD2-CG-HD2 23.602 26.418 0.799
L386CD1-CA-HD1 22.650 54.699 0.574
L386CD2-CA-HD2 25.362 54.706 0.802
L386CD1-CB-HD1 22.647 40.870 0.574
L386CD2-CB-HD2 25.366 40.869 0.801
L386CD1-CG-HD1 22.650 26.380 0.575
L386CD2-CG-HD2 25.374 26.369 0.802
V393CG1-CA-HG1 21.191 59.491 0.727
V393CG2-CA-HG2 21.624 59.506 0.688
V393CG1-CB-HG1 21.192 35.195 0.727
V393CG2-CB-HG2 21.623 35.199 0.688
L396CD1-CA-HD1 23.472 55.582 0.828
L396CD2-CA-HD2 25.454 55.598 0.845
L396CD1-CB-HD1 23.468 41.859 0.828
L396CD2-CB-HD2 25.445 41.801 0.845
L396CD1-CG-HD1 23.456 26.791 0.827
L396CD2-CG-HD2 25.454 26.772 0.846
L398CD1-CA-HD1 29.124 52.062 0.622
L398CD2-CA-HD2 23.554 52.066 0.334
L398CD1-CB-HD1 29.134 44.991 0.623
L398CD2-CB-HD2 23.540 44.977 0.334
L398CD1-CG-HD1 29.118 26.704 0.622
L398CD2-CG-HD2 23.563 26.725 0.336
V401CG1-CA-HG1 23.203 61.550 0.916
V401CG2-CA-HG2 22.633 61.493 0.550
V401CG1-CB-HG1 23.204 30.678 0.923
V401CG2-CB-HG2 22.637 30.823 0.550
L402CD1-CA-HD1 25.511 52.683 0.131
L402CD2-CA-HD2 23.751 52.679 0.472
L402CD1-CB-HD1 25.512 44.710 0.131
L402CD2-CB-HD2 23.753 44.726 0.473
L402CD1-CG-HD1 25.491 26.239 0.134
L402CD2-CG-HD2 23.751 26.260 0.472
L404CD1-CA-HD1 27.556 51.843 0.845
L404CD2-CA-HD2 25.169 52.060 0.723
L404CD1-CB-HD1 27.560 42.374 0.843
L404CD2-CB-HD2 25.169 42.306 0.721
L404CD1-CG-HD1 27.507 25.770 0.843
L406CD1-CA-HD1 24.247 52.465 0.697
L406CD2-CA-HD2 22.892 52.440 0.528
L406CD1-CB-HD1 24.245 40.163 0.697
L406CD2-CB-HD2 22.897 40.142 0.528
L406CD1-CG-HD1 24.233 26.853 0.697
I419CD1-CA-HD1 14.009 59.344 0.748
I419CD1-CB-HD1 14.009 41.121 0.749
I419CD1-CG1-HD1 14.010 25.983 0.748
I421CD1-CA-HD1 13.418 59.899 0.803
I421CD1-CB-HD1 13.418 37.961 0.803
I421CD1-CG1-HD1 13.415 26.278 0.803
L431CD1-CA-HD1 25.090 50.922 -0.176
L431CD2-CA-HD2 24.132 50.913 0.379
L431CD1-CB-HD1 25.055 46.033 -0.177
L431CD2-CB-HD2 24.122 46.073 0.378
L431CD1-CG-HD1 25.115 25.639 -0.172
L431CD2-CG-HD2 24.130 25.743 0.378
L433CD1-CA-HD1 21.739 53.687 -0.213
L433CD1-CB-HD1 21.745 43.060 -0.213
L433CD1-CG-HD1 21.733 25.774 -0.213
L437CD1-CA-HD1 27.726 53.214 1.076
L437CD2-CA-HD2 23.645 53.210 0.757
L437CD1-CB-HD1 27.727 43.249 1.076
L437CD2-CB-HD2 23.657 43.273 0.757
L437CD1-CG-HD1 27.707 26.341 1.075
L437CD2-CG-HD2 23.661 26.267 0.757
I449CD1-CA-HD1 12.381 58.304 0.838
I449CD1-CB-HD1 12.378 39.452 0.838
I449CD1-CG1-HD1 12.378 26.888 0.838
L450CD1-CA-HD1 27.426 56.825 1.010
L450CD2-CA-HD2 21.020 56.769 0.399
L450CD1-CB-HD1 27.430 42.359 1.009
L450CD2-CB-HD2 21.029 42.263 0.399
L450CD1-CG-HD1 27.429 26.382 1.010
L450CD2-CG-HD2 21.018 26.414 0.398
V453CG1-CA-HG1 21.489 61.242 0.953
V453CG1-CB-HG1 21.458 34.588 0.954
L454CD1-CA-HD1 26.204 58.735 0.952
L454CD2-CA-HD2 24.434 58.775 0.762
L454CD1-CB-HD1 26.209 38.786 0.954
L454CD2-CB-HD2 24.422 38.779 0.761
L454CD1-CG-HD1 26.204 32.015 0.952
L454CD2-CG-HD2 24.428 32.098 0.762
V455CG1-CA-HG1 23.177 61.047 1.042
V455CG2-CA-HG2 21.959 61.137 0.932
V455CG1-CB-HG1 23.181 35.455 1.044
V455CG2-CB-HG2 21.933 35.283 0.929
V466CG1-CA-HG1 22.145 59.960 0.716
V466CG2-CA-HG2 20.566 59.954 0.672
V466CG1-CB-HG1 22.134 36.003 0.716
V466CG2-CB-HG2 20.565 36.005 0.672
V467CG1-CA-HG1 21.117 58.456 1.168
V467CG2-CA-HG2 22.856 58.478 0.963
V467CG1-CB-HG1 21.133 35.521 1.167
V467CG2-CB-HG2 22.870 35.505 0.960
L469CD1-CA-HD1 27.572 54.904 0.210
L469CD2-CA-HD2 26.581 54.928 0.346
L469CD1-CB-HD1 27.582 49.351 0.210
L469CD2-CB-HD2 26.585 49.382 0.347
L469CD1-CG-HD1 27.558 28.213 0.213
V484CG1-CA-HG1 21.400 62.438 0.930
V484CG2-CA-HG2 21.376 62.472 0.857
V484CG1-CB-HG1 21.395 32.354 0.929
V484CG2-CB-HG2 21.378 32.347 0.858
V485CG1-CA-HG1 20.652 60.010 -0.014
V485CG2-CA-HG2 20.905 60.003 0.500
V485CG1-CB-HG1 20.653 32.426 -0.013
V485CG2-CB-HG2 20.903 32.444 0.500
I494CD1-CA-HD1 14.107 61.768 0.590
I494CD1-CB-HD1 14.104 36.464 0.590
I494CD1-CG1-HD1 14.109 26.209 0.591
L505CD1-CA-HD1 25.222 55.264 0.865
L505CD2-CA-HD2 23.298 55.279 0.791
L505CD1-CB-HD1 25.225 40.953 0.865
L505CD2-CB-HD2 23.301 40.950 0.791
L505CD1-CG-HD1 25.227 26.374 0.865
L505CD2-CG-HD2 23.300 26.467 0.791
V507CG1-CA-HG1 21.178 62.491 0.831
V507CG2-CA-HG2 20.745 62.482 0.819
V507CG1-CB-HG1 21.171 31.833 0.830
V507CG2-CB-HG2 20.706 31.827 0.817
L516CD1-CA-HD1 27.848 52.130 0.718
L516CD2-CA-HD2 23.059 52.111 0.116
L516CD1-CB-HD1 27.832 45.347 0.712
L516CD2-CB-HD2 23.062 45.333 0.116
L516CD1-CG-HD1 27.872 26.437 0.712
L516CD2-CG-HD2 23.059 26.325 0.117
V517CG1-CA-HG1 21.647 60.861 1.195
V517CG2-CA-HG2 20.650 60.883 0.730
V517CG1-CB-HG1 21.659 33.531 1.196
V517CG2-CB-HG2 20.652 33.484 0.730
I519CD1-CA-HD1 12.933 58.766 0.212
I519CD1-CB-HD1 12.936 40.536 0.212
I519CD1-CG1-HD1 12.932 27.870 0.212
L524CD1-CA-HD1 26.096 59.666 0.868
L524CD2-CA-HD2 25.035 59.636 0.829
L524CD1-CB-HD1 26.095 42.545 0.868
L524CD2-CB-HD2 25.035 42.538 0.829
L524CD1-CG-HD1 26.088 26.210 0.868
L524CD2-CG-HD2 25.037 26.059 0.829
V527CG1-CA-HG1 23.053 65.800 0.865
V527CG2-CA-HG2 22.488 65.815 0.786
V527CG1-CB-HG1 23.061 31.863 0.865
V527CG2-CB-HG2 22.490 31.813 0.785
L528CD1-CA-HD1 25.160 52.656 0.593
L528CD2-CA-HD2 22.864 52.738 0.753
L528CD1-CB-HD1 25.168 38.006 0.600
L528CD2-CB-HD2 22.827 38.086 0.748
L528CD1-CG-HD1 25.141 26.042 0.603
V531CG1-CA-HG1 22.422 60.784 1.148
V531CG2-CA-HG2 22.094 60.767 0.820
V531CG1-CB-HG1 22.403 32.724 1.148
V531CG2-CB-HG2 22.096 32.737 0.820
I536CD1-CA-HD1 14.453 58.516 0.606
I536CD1-CB-HD1 14.445 37.244 0.605
I536CD1-CG1-HD1 14.461 26.442 0.607
L540CD1-CA-HD1 22.812 56.876 0.742
L540CD1-CB-HD1 22.834 40.446 0.740
L540CD1-CG-HD1 22.818 26.656 0.744
V541CG1-CA-HG1 21.102 66.723 0.778
V541CG2-CA-HG2 22.909 66.736 0.845
V541CG1-CB-HG1 21.092 31.118 0.779
V541CG2-CB-HG2 22.907 31.094 0.846
L544CD1-CA-HD1 21.342 57.194 0.626
L544CD1-CB-HD1 21.328 39.064 0.628
L544CD1-CG-HD1 21.313 25.514 0.625
I550CD1-CA-HD1 12.871 63.651 0.815
I550CD1-CB-HD1 12.879 37.082 0.815
I550CD1-CG1-HD1 12.870 28.088 0.814
;
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 4
2 . . N 15 NH . . . ppm . . . . . . 51188 4
3 . . HN 1 HN . . . ppm . . . . . . 51188 4
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 4
stop_
save_