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 52953
_Spectral_peak_list.ID 3
_Spectral_peak_list.Name HNCACO
_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 3
_Spectral_peak_list.Experiment_name '3D HNCACO'
_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-C-H 120.471 176.041 8.443
F6N-E5C-F6H 119.811 176.276 8.019
F6N-C-H 119.828 175.319 8.021
F6N-F106C-F6H 119.784 174.622 8.020
I8N-C-H 123.093 175.259 8.095
K9N-C-H 130.859 180.991 7.913
D15N-C-H 119.838 176.557 8.384
V16N-C-H 119.801 176.317 7.961
A17N-V16C-A17H 126.591 176.215 8.346
A17N-C-H 126.632 178.441 8.346
G18N-A17C-G18H 107.599 178.498 8.277
G18N-C-H 107.591 174.691 8.278
G19N-G18C-G19H 107.887 174.724 8.082
G19N-C-H 107.885 174.243 8.079
Y20N-C-H 119.201 174.669 8.262
H21N-C-H 120.431 173.331 8.326
N22N-C-H 124.497 173.365 8.591
L23N-N22C-L23H 120.653 173.430 8.942
L23N-C-H 120.666 176.753 8.942
R24N-L23C-R24H 130.754 176.725 8.882
R24N-C-H 130.778 175.419 8.892
C25N-R24C-C25H 120.710 175.449 9.016
C25N-C-H 120.666 173.735 9.023
G26N-C-H 107.464 171.165 7.480
E27N-G26C-E27H 120.731 171.145 8.553
E27N-C-H 120.683 174.252 8.549
V28N-E27C-V28H 123.548 174.129 8.711
L29N-V28C-L29H 128.352 174.064 9.290
L29N-C-H 128.344 176.022 9.292
F30N-C-H 124.256 174.680 9.111
S31N-F30C-S31H 121.829 174.719 7.820
S31N-C-H 121.922 170.534 7.816
A32N-C-H 125.404 176.771 7.825
A34N-P33C-A34H 123.960 177.034 8.143
A34N-C-H 123.957 175.335 8.146
S35N-A34C-S35H 116.396 175.357 8.011
S35N-C-H 116.457 172.334 8.012
Y36N-C-H 124.447 175.565 8.673
E37N-Y36C-E37H 124.355 175.496 9.133
E37N-C-H 124.341 174.542 9.140
V38N-E37C-V38H 119.850 174.514 9.817
V38N-C-H 119.828 175.944 9.819
S39N-V38C-S39H 121.987 175.957 9.052
C40N-C-H 131.567 175.548 8.750
L41N-C40C-L41H 126.518 175.725 9.044
L41N-C-H 126.524 177.670 9.040
L42N-C-H 122.307 176.392 9.225
C43N-C-H 117.500 172.943 7.770
D44N-C43C-D44H 116.408 172.969 8.086
D44N-C-H 116.437 176.511 8.082
Q45N-D44C-Q45H 120.844 176.532 8.367
Q45N-C-H 120.818 174.350 8.366
R46N-Q45C-R46H 122.252 174.308 8.340
R46N-C-H 122.296 175.064 8.346
L47N-R46C-L47H 127.658 175.002 8.943
L47N-C-H 127.634 173.243 8.946
L49N-P48C-L49H 125.387 178.124 8.343
D50N-L49C-D50H 113.012 178.272 8.616
D50N-C-H 112.965 177.482 8.620
G51N-D50C-G51H 105.846 177.534 7.839
G51N-C-H 105.730 175.143 7.835
Y52N-C-H 123.091 172.275 7.985
E54N-C-H 115.843 177.821 7.648
H55N-E54C-H55H 117.207 177.827 7.232
H55N-C-H 117.207 175.757 7.232
F56N-H55C-F56H 119.719 175.770 8.566
F56N-C-H 119.724 178.324 8.570
R57N-F56C-R57H 119.413 177.977 8.667
L58N-R57C-L58H 115.763 177.971 7.785
L58N-C-H 115.724 179.053 7.780
K59N-C-H 113.156 177.395 7.807
H60N-K59C-H60H 113.675 177.349 7.738
H60N-C-H 113.697 173.887 7.739
F61N-H60C-F61H 121.361 173.925 7.393
F61N-C-H 121.354 174.912 7.390
T62N-F61C-T62H 115.027 174.984 7.531
T62N-C-H 115.043 173.851 7.537
L68N-S67C-L68H 129.465 173.462 7.866
L68N-C-H 129.391 182.377 7.858
;
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 3
2 . . N 15 N . 'not observed' 28 ppm . . . . . . 52953 3
3 . . C 13 CO . 'not observed' 16 ppm . . . . . . 52953 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
1 $software_1 . . 52953 3
2 $software_2 . . 52953 3
3 $software_3 . . 52953 3
4 $software_4 . . 52953 3
5 $software_5 . . 52953 3
stop_
save_