Content for NMR-STAR saveframe, spectral_peak_list_7
save_spectral_peak_list_7
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_7
_Spectral_peak_list.Entry_ID 52953
_Spectral_peak_list.ID 7
_Spectral_peak_list.Name HBHACONH
_Spectral_peak_list.Sample_ID 2
_Spectral_peak_list.Sample_label $sample_2
_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 7
_Spectral_peak_list.Experiment_name '3D HBHA(CO)NH'
_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
E5N-P4HA-E5H 120.465 4.377 8.445
E5N-P4HB3-E5H 120.408 1.822 8.444
F6N-E5HA-F6H 119.895 4.117 8.027
F6N-E5HB-F6H 119.882 1.810 8.026
I8N-M7HA-I8H 123.186 4.426 8.096
I8N-M7HB-I8H 123.207 1.968 8.092
K9N-I8HA-K9H 130.905 4.090 7.914
K9N-I8HB-K9H 130.897 1.824 7.914
D15N-P14HA-D15H 119.908 4.353 8.382
D15N-P14HB3-D15H 119.911 2.209 8.383
D15N-P14HB2-D15H 119.915 1.852 8.382
V16N-D15HA-V16H 119.853 4.551 7.962
V16N-D15HB-V16H 119.851 2.624 7.961
A17N-V16HA-A17H 126.698 4.063 8.346
A17N-V16HB-A17H 126.686 2.052 8.345
G18N-A17HA-G18H 107.628 4.198 8.273
G18N-A17HB-G18H 107.633 1.349 8.274
G19N-G18HA3-G19H 107.886 3.922 8.077
Y20N-G19HA2-Y20H 119.263 3.891 8.263
H21N-Y20HA-H21H 120.486 4.676 8.322
H21N-Y20HB3-H21H 120.435 2.996 8.324
H21N-Y20HB2-H21H 120.448 3.228 8.322
N22N-H21HA-N22H 124.546 4.646 8.597
N22N-H21HB2-N22H 124.561 2.990 8.597
L23N-N22HA-L23H 120.673 3.726 8.938
L23N-N22HB3-L23H 120.684 2.748 8.940
L23N-N22HB2-L23H 120.688 2.574 8.940
R24N-L23HA-R24H 130.824 4.320 8.885
R24N-L23HB3-R24H 130.822 2.047 8.885
R24N-L23HB2-R24H 130.874 1.491 8.881
C25N-R24HB3-C25H 120.676 1.773 9.020
G26N-C25HA-G26H 107.440 4.917 7.482
G26N-C25HB3-G26H 107.462 2.811 7.484
G26N-C25HB2-G26H 107.463 3.334 7.484
E27N-G26HA3-E27H 120.748 3.249 8.546
E27N-G26HA2-E27H 120.761 4.875 8.544
V28N-E27HA-V28H 123.626 5.035 8.709
V28N-E27HB-V28H 123.638 1.946 8.709
L29N-V28HA-L29H 128.423 4.485 9.291
L29N-V28HB-L29H 128.435 1.521 9.290
F30N-L29HA-F30H 124.282 5.260 9.102
F30N-L29HB3-F30H 124.263 0.933 9.105
F30N-L29HB2-F30H 124.309 1.443 9.096
S31N-F30HA-S31H 121.930 5.109 7.821
S31N-F30HB3-S31H 121.908 2.375 7.823
S31N-F30HB2-S31H 121.904 2.144 7.823
A32N-S31HA-A32H 125.424 4.390 7.826
A32N-S31HB3-A32H 125.437 3.302 7.828
A32N-S31HB2-A32H 125.429 3.717 7.829
A34N-P33HA-A34H 124.026 4.420 8.142
A34N-P33HB3-A34H 124.082 2.198 8.134
A34N-P33HB2-A34H 124.025 2.515 8.145
S35N-A34HA-S35H 116.448 4.691 8.011
S35N-A34HB-S35H 116.472 1.433 8.011
Y36N-S35HA-Y36H 124.531 4.736 8.671
Y36N-S35HB3-Y36H 124.523 3.647 8.673
E37N-Y36HA-E37H 124.448 5.071 9.142
E37N-Y36HB3-E37H 124.422 2.492 9.141
E37N-Y36HB2-E37H 124.369 3.061 9.143
V38N-E37HA-V38H 119.873 5.004 9.816
V38N-E37HB-V38H 119.898 1.706 9.820
S39N-V38HA-S39H 122.097 4.867 9.057
S39N-V38HB-S39H 122.088 1.658 9.059
C40N-S39HB3-C40H 131.683 3.867 8.750
C40N-S39HB2-C40H 131.659 3.575 8.754
L41N-C40HA-L41H 126.618 4.386 9.038
L41N-C40HB3-L41H 126.639 3.557 9.037
L41N-C40HB2-L41H 126.549 2.743 9.045
L42N-L41HA-L42H 122.372 4.558 9.221
L42N-L41HB3-L42H 122.368 1.300 9.218
L42N-L41HB2-L42H 122.409 1.565 9.219
C43N-L42HA-C43H 117.536 4.392 7.765
D44N-C43HA-D44H 116.492 4.868 8.081
D44N-C43HB-D44H 116.458 3.313 8.080
Q45N-D44HA-Q45H 120.839 4.755 8.364
Q45N-D44HB2-Q45H 120.881 2.850 8.366
R46N-Q45HA-R46H 122.358 4.287 8.342
R46N-Q45HB*-R46H 122.354 1.765 8.342
L47N-R46HA-L47H 127.684 5.294 8.945
L47N-R46HB-L47H 127.662 1.667 8.949
L49N-P48HA-L49H 125.417 4.655 8.342
L49N-P48HB3-L49H 125.532 2.018 8.341
L49N-P48HB2-L49H 125.422 2.555 8.346
D50N-L49HA-D50H 112.976 3.847 8.619
D50N-L49HB3-D50H 112.952 1.274 8.622
D50N-L49HG-D50H 112.982 1.852 8.619
G51N-D50HA-G51H 105.788 4.281 7.836
G51N-D50HB-G51H 105.782 2.678 7.837
Y52N-G51HA3-Y52H 123.155 3.664 7.991
E54N-P53HA-E54H 115.866 3.586 7.647
E54N-P53HB-E54H 115.884 1.700 7.645
H55N-E54HA-H55H 117.205 4.030 7.235
H55N-E54HB-H55H 117.241 1.916 7.231
F56N-H55HA-F56H 119.754 4.030 8.568
F56N-H55HB3-F56H 119.745 3.185 8.566
F56N-H55HB2-F56H 119.743 2.928 8.571
R57N-F56HA-R57H 119.455 3.405 8.665
R57N-F56HB3-R57H 119.482 2.599 8.664
L58N-R57HA-L58H 115.735 3.856 7.778
L58N-R57HB3-L58H 115.741 2.051 7.776
L58N-R57HB2-L58H 115.759 1.837 7.774
K59N-L58HA-K59H 113.190 4.025 7.804
K59N-L58HB3-K59H 113.213 1.337 7.809
K59N-L58HB2-K59H 113.161 1.688 7.804
H60N-K59HA-H60H 113.749 4.076 7.738
H60N-K59HB3-H60H 113.778 0.622 7.741
H60N-K59HB2-H60H 113.760 0.345 7.736
F61N-H60HA-F61H 121.388 4.918 7.391
F61N-H60HB3-F61H 121.394 1.529 7.388
F61N-H60HB2-F61H 121.368 2.481 7.392
T62N-F61HA-T62H 115.091 4.493 7.535
T62N-F61HB3-T62H 115.091 3.048 7.532
T62N-F61HB2-T62H 115.085 2.709 7.531
L68N-S67HA-L68H 129.458 4.482 7.859
L68N-S67HB3-L68H 129.459 3.847 7.859
;
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 . . H 1 H . 'not observed' 14 ppm . . . . . . 52953 7
2 . . N 15 N . 'not observed' 28 ppm . . . . . . 52953 7
3 . . H 1 H . 'not observed' 10 ppm . . . . . . 52953 7
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
1 $software_1 . . 52953 7
2 $software_2 . . 52953 7
3 $software_3 . . 52953 7
4 $software_4 . . 52953 7
5 $software_5 . . 52953 7
stop_
save_