Content for NMR-STAR saveframe, spectral_peak_list_6
save_spectral_peak_list_6
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_6
_Spectral_peak_list.Entry_ID 52953
_Spectral_peak_list.ID 6
_Spectral_peak_list.Name C(CO)NH
_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 6
_Spectral_peak_list.Experiment_name '3D C(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-P4CA-E5H 120.386 64.552 8.445
E5N-P4CB-E5H 120.375 32.970 8.443
E5N-P4CG-E5H 120.472 28.243 8.427
F6N-E5CA-F6H 119.917 58.122 8.022
F6N-E5CB-F6H 119.928 31.241 8.024
F6N-E5CG-F6H 119.929 37.197 8.022
M7N-F6CB-M7H 122.110 40.605 8.064
I8N-M7CA-I8H 123.193 56.399 8.093
I8N-M7CB-I8H 123.201 32.921 8.092
K9N-I8CA-K9H 130.902 62.414 7.911
K9N-I8CB-K9H 130.891 39.640 7.909
K9N-I8CG1-K9H 130.922 28.250 7.917
K9N-I8CG2-K9H 130.971 18.376 7.912
D15N-P14CA-D15H 119.910 64.192 8.385
D15N-P14CB-D15H 119.911 33.060 8.385
D15N-P14CD-D15H 119.907 51.380 8.386
D15N-P14CG-D15H 119.906 28.349 8.385
V16N-D15CA-V16H 119.860 55.804 7.957
V16N-D15CB-V16H 119.876 42.138 7.957
A17N-V16CA-A17H 126.683 63.409 8.347
A17N-V16CB-A17H 126.674 33.718 8.348
A17N-V16CG-A17H 126.697 21.726 8.348
G18N-A17CA-G18H 107.613 54.005 8.276
G18N-A17CB-G18H 107.617 19.932 8.276
G19N-G18CA-G19H 107.882 46.721 8.075
Y20N-G19CA-Y20H 119.291 45.828 8.264
H21N-Y20CA-H21H 120.450 58.043 8.329
H21N-Y20CB-H21H 120.468 39.577 8.326
N22N-H21CA-N22H 124.609 56.789 8.592
N22N-H21CB-N22H 124.605 32.984 8.592
L23N-N22CA-L23H 120.720 54.807 8.939
L23N-N22CB-L23H 120.699 38.327 8.940
R24N-L23CA-R24H 130.850 56.041 8.886
R24N-L23CB-R24H 130.869 44.619 8.885
R24N-L23CD12-R24H 130.695 24.618 8.886
R24N-L23CG-R24H 130.899 27.604 8.890
C25N-R24CA-C25H 120.728 57.856 9.022
C25N-R24CB-C25H 120.862 30.840 9.018
C25N-R24CD-C25H 120.855 44.695 9.026
C25N-R24CG-C25H 120.754 28.916 9.018
G26N-C25CA-G26H 107.483 58.455 7.476
G26N-C25CB-G26H 107.471 31.562 7.482
E27N-G26CA-E27H 120.769 46.768 8.546
V28N-E27CA-V28H 123.659 56.070 8.708
V28N-E27CB-V28H 123.656 33.973 8.704
V28N-E27CG-V28H 123.672 37.955 8.705
L29N-V28CA-L29H 128.451 62.806 9.288
L29N-V28CB-L29H 128.520 32.843 9.290
L29N-V28CG-L29H 128.451 23.469 9.286
F30N-L29CA-F30H 124.327 53.890 9.099
F30N-L29CB-F30H 124.314 45.927 9.094
F30N-L29CD-F30H 124.328 25.258 9.104
S31N-F30CB-S31H 121.936 43.816 7.820
A32N-S31CA-A32H 125.389 57.572 7.823
A32N-S31CB-A32H 125.407 66.456 7.826
A34N-P33CA-A34H 124.087 65.702 8.142
A34N-P33CB-A34H 124.107 35.807 8.141
A34N-P33CG-A34H 124.049 25.604 8.140
S35N-A34CA-S35H 116.522 53.255 8.009
S35N-A34CB-S35H 116.492 20.646 8.007
Y36N-S35CA-Y36H 124.562 58.933 8.667
Y36N-S35CB-Y36H 124.532 64.734 8.667
E37N-Y36CA-E37H 124.444 58.005 9.138
E37N-Y36CB-E37H 124.417 41.845 9.141
V38N-E37CA-V38H 119.936 55.314 9.818
V38N-E37CB-V38H 119.890 36.628 9.818
V38N-E37CG-V38H 119.916 38.580 9.820
S39N-V38CA-S39H 122.114 61.072 9.059
S39N-V38CB-S39H 122.168 35.732 9.057
S39N-V38CG1-S39H 122.086 23.211 9.058
S39N-V38CG2-S39H 122.100 22.664 9.058
C40N-S39CA-C40H 131.710 57.421 8.747
L41N-C40CA-L41H 126.593 62.287 9.048
L41N-C40CB-L41H 126.594 30.710 9.046
L42N-L41CA-L42H 122.375 56.618 9.215
L42N-L41CB-L42H 122.376 43.380 9.215
L42N-L41CD2-L42H 122.283 26.273 9.204
C43N-L42CA-C43H 117.569 56.987 7.766
C43N-L42CB-C43H 117.573 42.290 7.766
C43N-L42CD1-C43H 117.670 26.920 7.757
C43N-L42CD2-C43H 117.564 24.620 7.761
C43N-L42CG-C43H 117.534 29.444 7.763
D44N-C43CA-D44H 116.538 59.549 8.077
D44N-C43CB-D44H 116.516 31.648 8.077
Q45N-D44CA-Q45H 120.854 55.476 8.367
Q45N-D44CB-Q45H 120.871 41.464 8.367
R46N-Q45CA-R46H 122.368 58.125 8.346
R46N-Q45CB-R46H 122.367 32.115 8.347
R46N-Q45CG-R46H 122.369 36.339 8.343
L47N-R46CA-L47H 127.700 55.920 8.942
L47N-R46CB-L47H 127.678 33.195 8.949
L47N-R46CD-L47H 127.665 44.905 8.945
L47N-R46CG-L47H 127.647 28.504 8.944
L49N-P48CA-L49H 125.436 64.214 8.345
L49N-P48CB-L49H 125.469 32.972 8.344
L49N-P48CG-L49H 125.424 29.155 8.342
D50N-L49CA-D50H 113.002 61.137 8.618
D50N-L49CB-D50H 113.033 43.910 8.616
D50N-L49CD2-D50H 113.016 26.658 8.614
G51N-D50CA-G51H 105.857 56.582 7.837
G51N-D50CB-G51H 105.873 41.166 7.834
Y52N-G51CA-Y52H 123.212 45.473 7.983
E54N-P53CA-E54H 115.868 67.957 7.649
E54N-P53CB-E54H 115.895 31.720 7.649
E54N-P53CD-E54H 115.829 50.893 7.651
E54N-P53CG-E54H 115.866 29.940 7.644
H55N-E54CA-H55H 117.254 60.185 7.230
H55N-E54CB-H55H 117.266 30.745 7.230
H55N-E54CG-H55H 117.268 37.236 7.230
F56N-H55CA-F56H 119.755 60.528 8.569
F56N-H55CB-F56H 119.761 29.322 8.566
R57N-F56CA-R57H 119.465 63.977 8.666
R57N-F56CB-R57H 119.495 40.138 8.663
L58N-R57CA-L58H 115.764 60.809 7.778
L58N-R57CB-L58H 115.754 31.536 7.781
L58N-R57CD-L58H 115.760 44.428 7.778
L58N-R57CG-L58H 115.777 28.798 7.778
K59N-L58CA-K59H 113.214 58.154 7.801
K59N-L58CB-K59H 113.184 43.747 7.804
K59N-L58CD1-K59H 113.262 25.855 7.801
K59N-L58CD2-K59H 113.354 24.188 7.792
K59N-L58CG-K59H 113.475 28.041 7.812
H60N-K59CA-H60H 113.763 56.217 7.736
H60N-K59CB-H60H 113.787 32.551 7.737
H60N-K59CG-H60H 113.770 25.235 7.736
F61N-H60CA-F61H 121.461 55.431 7.390
F61N-H60CB-F61H 121.411 31.176 7.389
T62N-F61CA-T62H 115.072 58.482 7.533
T62N-F61CB-T62H 115.080 41.615 7.534
L68N-S67CA-L68H 129.508 58.943 7.851
L68N-S67CB-L68H 129.507 64.932 7.855
;
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 6
2 . . N 15 N . 'not observed' 28 ppm . . . . . . 52953 6
3 . . C 13 C . 'not observed' 70 ppm . . . . . . 52953 6
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 6
2 $software_2 . . 52953 6
3 $software_3 . . 52953 6
4 $software_4 . . 52953 6
5 $software_5 . . 52953 6
stop_
save_