Content for NMR-STAR saveframe, spectral_peak_list_8
save_spectral_peak_list_8
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_8
_Spectral_peak_list.Entry_ID 52953
_Spectral_peak_list.ID 8
_Spectral_peak_list.Name HNHA
_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 8
_Spectral_peak_list.Experiment_name '3D HNHA'
_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
D15N-H-H 119.952 8.367 8.375
D15N-HA-H 119.916 4.550 8.382
V16N-H-H 119.861 7.951 7.960
V16N-HA-H 119.863 4.064 7.961
A17N-H-H 126.634 8.328 8.342
A17N-HA-H 126.719 4.201 8.345
G18N-H-H 107.479 8.263 8.273
G18N-HA3-H 107.634 3.940 8.273
G19N-H-H 107.880 8.069 8.077
G19N-HA2-H 107.875 3.890 8.077
Y20N-H-H 119.265 8.258 8.266
Y20N-HA-H 119.256 4.674 8.264
H21N-H-H 120.459 8.325 8.326
H21N-HA-H 120.459 4.640 8.323
N22N-H-H 124.478 8.596 8.588
N22N-HA-H 124.592 3.724 8.593
L23N-H-H 120.694 8.926 8.938
L23N-HA-H 120.650 4.316 8.937
R24N-H-H 130.866 8.881 8.891
R24N-HA-H 130.837 4.657 8.891
C25N-H-H 120.657 9.011 9.008
C25N-HA-H 120.743 4.916 9.017
G26N-H-H 107.463 7.469 7.480
G26N-HA2-H 107.465 4.867 7.480
E27N-H-H 120.751 8.535 8.545
E27N-HA-H 120.747 5.035 8.547
V28N-H-H 123.717 8.689 8.718
V28N-HA-H 123.629 4.482 8.709
L29N-H-H 128.433 9.276 9.291
L29N-HA-H 128.432 5.260 9.291
F30N-HA-H 124.294 5.094 9.105
S31N-H-H 121.916 7.817 7.819
S31N-HA-H 121.934 4.392 7.819
A34N-H-H 124.029 8.124 8.140
A34N-HA-H 124.024 4.705 8.142
S35N-HA-H 116.447 4.739 8.009
Y36N-H-H 124.432 8.662 8.678
Y36N-HA-H 124.519 5.083 8.673
E37N-HA-H 124.388 5.002 9.139
V38N-H-H 119.902 9.807 9.816
V38N-HA-H 119.894 4.875 9.816
S39N-H-H 122.084 9.041 9.054
S39N-HA-H 122.076 4.634 9.054
L41N-H-H 126.605 9.019 9.039
L41N-HA-H 126.634 4.560 9.037
L42N-H-H 122.396 9.204 9.223
L42N-HA-H 122.399 4.406 9.221
C43N-H-H 117.555 7.753 7.765
C43N-HA-H 117.549 4.881 7.766
D44N-H-H 116.473 8.057 8.067
D44N-HA-H 116.464 4.746 8.070
Q45N-H-H 120.874 8.355 8.363
Q45N-HA-H 120.886 4.284 8.364
R46N-H-H 122.353 8.331 8.340
R46N-HA-H 122.343 5.291 8.339
L47N-H-H 127.717 8.926 8.943
L47N-HA-H 127.693 5.042 8.943
D50N-H-H 112.993 8.602 8.618
D50N-HA-H 112.966 4.294 8.618
G51N-H-H 105.801 7.823 7.837
G51N-HA3-H 105.797 3.649 7.834
G51N-HA2-H 105.772 4.503 7.834
E54N-H-H 115.866 7.638 7.645
E54N-HA-H 115.817 4.031 7.646
H55N-H-H 117.216 7.221 7.230
H55N-HA-H 117.149 4.036 7.232
F56N-H-H 119.769 8.552 8.575
F56N-HA-H 119.696 3.402 8.566
R57N-HA-H 119.379 3.868 8.662
L58N-H-H 115.748 7.764 7.773
L58N-HA-H 115.731 4.028 7.774
K59N-H-H 113.222 7.779 7.809
K59N-HA-H 113.177 4.077 7.800
H60N-H-H 113.625 7.719 7.750
H60N-HA-H 113.747 4.913 7.740
F61N-H-H 121.402 7.375 7.384
F61N-HA-H 121.396 4.501 7.385
T62N-H-H 115.124 7.517 7.526
T62N-HA-H 115.125 4.161 7.524
S65N-H-H 123.057 7.958 7.969
S65N-HA-H 122.998 4.256 7.963
L68N-H-H 129.460 7.843 7.855
L68N-HA-H 129.465 4.168 7.856
;
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 8
2 . . H 1 H . 'not observed' 11 ppm . . . . . . 52953 8
3 . . N 1 N . 'not observed' 28 ppm . . . . . . 52953 8
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 8
2 $software_2 . . 52953 8
3 $software_3 . . 52953 8
4 $software_4 . . 52953 8
5 $software_5 . . 52953 8
stop_
save_