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 52542
_Spectral_peak_list.ID 7
_Spectral_peak_list.Name HNCO
_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 7
_Spectral_peak_list.Experiment_name '3D HNCO'
_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
?-?-? 122.137 177.943 8.114
?-?-? 117.222 178.437 8.129
?-?-? 118.713 178.857 7.749
?-?-? 113.617 176.018 8.811
?-?-? 114.110 177.732 7.305
?-?-? 116.564 177.949 7.398
?-?-? 121.404 174.344 7.933
?-?-? 118.359 175.141 6.793
?-?-? 123.955 173.817 7.374
?-?-? 119.516 178.329 7.694
?-?-? 116.065 178.495 7.724
?-?-? 119.779 175.486 10.363
?-?-? 119.472 170.864 8.231
?-?-? 111.360 179.745 6.854
?-?-? 111.329 180.562 6.844
?-?-? 114.989 175.500 7.443
?-?-? 114.946 175.462 7.425
?-?-? 114.918 175.479 7.321
?-?-? 112.327 180.356 7.476
?-?-? 111.312 180.127 6.674
?-?-? 111.418 180.138 7.395
?-?-? 111.363 180.589 7.585
?-?-? 112.288 180.343 6.858
G3N-P2C-G3H 109.517 177.340 8.622
S4N-G3C-S4H 116.417 174.541 8.362
D5N-S4C-D5H 121.704 174.851 8.532
F6N-D5C-F6H 120.965 177.688 8.364
D7N-F6C-D7H 118.550 176.449 8.167
V8N-D7C-V8H 120.011 178.971 7.742
K9N-V8C-K9H 120.963 179.137 7.934
R10N-K9C-R10H 118.765 178.514 8.829
K11N-R10C-K11H 119.239 177.991 7.744
Y12N-K11C-Y12H 121.384 178.929 7.759
F13N-Y12C-F13H 120.234 176.251 8.958
R14N-F13C-R14H 115.933 176.308 8.343
Q15N-R14C-Q15H 119.590 178.829 7.954
E16N-Q15C-E16H 120.217 179.194 8.303
E18N-L17C-E18H 117.634 179.441 7.785
R19N-E18C-R19H 120.517 179.956 7.762
L20N-R19C-L20H 118.336 179.620 7.631
D21N-L20C-D21H 117.187 177.958 7.293
E22N-D21C-E22H 121.958 176.682 7.268
G23N-E22C-G23H 111.357 177.382 8.751
L24N-G23C-L24H 121.544 174.212 7.692
R25N-L24C-R25H 126.917 176.776 8.703
K26N-R25C-K26H 124.325 175.001 8.217
E27N-K26C-E27H 120.673 175.949 8.016
D28N-E27C-D28H 119.932 174.744 8.248
M29N-D28C-M29H 126.522 175.470 9.017
A30N-M29C-A30H 129.873 172.750 8.394
H32N-V31C-H32H 127.028 173.496 8.927
V33N-H32C-V33H 113.403 174.376 8.333
R35N-R34C-R35H 124.170 178.338 9.273
D36N-R35C-D36H 112.813 176.367 8.622
H37N-D36C-H37H 118.965 175.765 7.937
V38N-H37C-V38H 120.364 174.786 8.142
F39N-V38C-F39H 124.399 179.324 9.533
E40N-F39C-E40H 118.122 175.954 9.117
D41N-E40C-D41H 119.951 179.755 8.933
E45N-R44C-E45H 115.182 178.760 8.080
L46N-E45C-L46H 112.834 178.500 8.040
H47N-L46C-H47H 119.820 180.695 8.622
R48N-H47C-R48H 115.559 175.239 7.848
K49N-R48C-K49H 118.411 177.230 6.860
S50N-K49C-S50H 120.868 176.883 9.632
E52N-P51C-E52H 113.551 177.629 8.012
E53N-E52C-E53H 120.689 180.427 7.783
M54N-E53C-M54H 113.034 178.564 7.373
K55N-M54C-K55H 117.365 176.211 7.078
N56N-K55C-N56H 115.504 175.821 7.169
R57N-N56C-R57H 118.617 174.515 7.914
L58N-R57C-L58H 124.498 175.801 8.714
Y59N-L58C-Y59H 124.976 175.995 8.216
I60N-Y59C-I60H 124.547 172.697 7.956
V61N-I60C-V61H 127.170 174.741 8.280
F62N-V61C-F62H 127.238 175.963 8.589
E63N-F62C-E63H 125.372 177.000 8.786
G64N-E63C-G64H 113.915 178.088 8.981
E65N-G64C-E65H 119.353 173.778 7.844
E66N-E65C-E66H 122.141 176.252 8.676
G67N-E66C-G67H 110.132 177.030 8.596
Q68N-G67C-Q68H 119.488 174.186 8.051
D69N-Q68C-D69H 120.413 175.197 8.244
A70N-D69C-A70H 127.725 176.100 8.661
G71N-A70C-G71H 107.742 180.548 8.636
G72N-G71C-G72H 111.557 177.039 8.246
L73N-G72C-L73H 122.617 176.851 8.061
L74N-L73C-L74H 120.249 178.584 7.868
R75N-L74C-R75H 117.297 178.613 7.797
E76N-R75C-E76H 120.400 179.224 8.233
W77N-E76C-W77H 120.675 177.891 8.968
Y78N-W77C-Y78H 116.964 177.012 8.659
M79N-Y78C-M79H 119.150 179.463 7.950
I80N-M79C-I80H 119.584 178.495 8.607
S82N-I81C-S82H 114.108 176.239 7.623
R83N-S82C-R83H 118.405 173.879 7.113
E84N-R83C-E84H 118.853 180.213 8.551
M85N-E84C-M85H 114.617 178.513 7.691
F86N-M85C-F86H 113.774 174.726 6.388
N87N-F86C-N87H 123.774 175.193 7.849
M89N-P88C-M89H 118.117 178.735 8.510
Y90N-M89C-Y90H 116.231 177.211 6.993
A91N-Y90C-A91H 113.618 175.617 7.394
L92N-A91C-L92H 115.604 175.488 7.713
F93N-L92C-F93H 112.771 177.721 7.675
R94N-F93C-R94H 120.190 175.037 9.584
T95N-R94C-T95H 114.135 174.448 8.474
S96N-T95C-S96H 119.349 174.743 8.271
G98N-P97C-G98H 108.641 176.354 7.971
D99N-G98C-D99H 119.690 172.994 8.279
R100N-D99C-R100H 117.349 176.127 7.631
V101N-R100C-V101H 124.696 175.241 8.313
T102N-V101C-T102H 117.505 174.966 7.324
Y103N-T102C-Y103H 118.300 173.061 8.309
T104N-Y103C-T104H 111.768 175.422 8.855
I105N-T104C-I105H 124.404 174.078 8.145
N106N-I105C-N106H 125.369 175.093 8.643
S108N-P107C-S108H 112.192 177.876 7.289
S109N-S108C-S109H 117.599 174.513 7.746
N114N-P113C-N114H 114.303 178.124 7.723
H115N-N114C-H115H 119.223 176.960 8.498
L116N-H115C-L116H 119.367 175.492 7.593
S117N-L116C-S117H 114.932 179.615 7.689
Y118N-S117C-Y118H 121.294 178.706 8.064
F119N-Y118C-F119H 119.068 178.531 9.130
D132N-Y131C-D132H 119.110 177.108 9.011
N133N-D132C-N133H 119.270 175.986 8.245
R134N-N133C-R134H 119.336 173.997 8.481
L135N-R134C-L135H 120.862 174.123 7.756
L136N-L135C-L136H 119.894 177.005 8.416
E137N-L136C-E137H 121.931 176.842 8.187
C138N-E137C-C138H 117.734 174.612 6.823
Y139N-C138C-Y139H 121.856 171.425 7.572
F140N-Y139C-F140H 120.467 174.317 7.604
T141N-F140C-T141H 109.867 175.258 7.569
R142N-T141C-R142H 120.913 174.461 8.546
G150N-L149C-G150H 106.710 176.487 7.791
K151N-G150C-K151H 120.275 174.857 8.154
S152N-K151C-S152H 117.342 175.652 8.394
V153N-S152C-V153H 119.812 174.735 8.492
R154N-V153C-R154H 123.010 175.472 8.973
Y155N-R154C-Y155H 122.237 179.347 9.493
T156N-Y155C-T156H 108.396 176.667 6.141
D157N-T156C-D157H 122.218 177.946 8.102
E159N-M158C-E159H 120.513 176.342 6.653
S160N-E159C-S160H 106.893 176.006 7.512
E161N-S160C-E161H 119.930 175.266 7.011
D162N-E161C-D162H 118.651 176.113 8.438
Y163N-D162C-Y163H 126.268 174.431 8.871
H164N-Y163C-H164H 116.669 177.263 8.582
F165N-H164C-F165H 122.548 178.380 7.887
Y166N-F165C-Y166H 119.752 178.591 8.589
Q167N-Y166C-Q167H 116.969 176.173 8.405
G168N-Q167C-G168H 106.736 179.240 7.330
L169N-G168C-L169H 122.604 176.381 7.365
V170N-L169C-V170H 118.802 178.120 7.783
Y171N-V170C-Y171H 117.937 177.719 7.585
L172N-Y171C-L172H 118.212 178.398 7.381
L173N-L172C-L173H 115.211 177.103 7.776
E174N-L173C-E174H 115.449 179.332 7.689
N175N-E174C-N175H 117.330 175.478 7.092
D176N-N175C-D176H 117.837 171.819 8.113
V177N-D176C-V177H 127.226 179.635 9.348
S178N-V177C-S178H 118.329 177.877 9.113
T179N-S178C-T179H 111.164 175.976 7.883
L180N-T179C-L180H 121.106 175.606 7.173
G181N-L180C-G181H 103.823 177.974 8.148
Y182N-G181C-Y182H 115.159 172.784 6.877
D183N-Y182C-D183H 118.805 172.722 8.464
L184N-D183C-L184H 124.438 175.227 8.956
T185N-L184C-T185H 109.716 175.463 7.946
F186N-T185C-F186H 121.806 175.459 8.123
S187N-F186C-S187H 117.163 175.535 9.056
T188N-S187C-T188H 114.413 171.973 8.742
E189N-T188C-E189H 125.698 171.049 8.168
V190N-E189C-V190H 124.065 175.843 8.911
Q191N-V190C-Q191H 126.053 173.943 8.469
E192N-Q191C-E192H 125.734 174.006 8.230
G194N-F193C-G194H 103.627 175.584 8.489
V195N-G194C-V195H 121.565 173.653 7.599
C196N-V195C-C196H 126.830 175.068 8.753
E197N-C196C-E197H 125.615 173.989 8.754
V198N-E197C-V198H 123.102 174.245 8.551
R199N-V198C-R199H 128.198 175.737 8.953
D200N-R199C-D200H 123.535 175.427 8.566
L201N-D200C-L201H 118.556 177.390 8.864
K202N-L201C-K202H 112.955 175.974 7.835
N204N-P203C-N204H 119.566 176.961 9.083
G205N-N204C-G205H 104.757 177.840 8.247
A206N-G205C-A206H 120.795 175.245 8.134
N207N-A206C-N207H 111.326 177.098 7.944
I208N-N207C-I208H 123.461 174.404 7.851
L209N-I208C-L209H 126.286 174.475 7.951
V210N-L209C-V210H 124.190 178.082 8.293
T211N-V210C-T211H 120.575 175.703 9.663
E212N-T211C-E212H 118.463 174.827 8.999
E213N-E212C-E213H 115.002 178.471 7.937
N214N-E213C-N214H 114.379 177.752 7.363
K215N-N214C-K215H 117.651 179.316 7.724
K216N-K215C-K216H 120.728 177.495 8.467
E217N-K216C-E217H 122.754 179.003 7.627
Y218N-E217C-Y218H 119.206 178.227 7.982
V219N-Y218C-V219H 118.258 175.760 8.295
H220N-V219C-H220H 117.879 177.269 7.677
L221N-H220C-L221H 117.478 178.506 8.552
V222N-L221C-V222H 122.471 180.652 9.330
C223N-V222C-C223H 120.462 177.322 7.680
G229N-T228C-G229H 110.824 175.738 8.564
I231N-A230C-I231H 106.644 178.040 6.929
R232N-I231C-R232H 121.836 175.196 6.965
Q234N-K233C-Q234H 123.474 179.470 9.721
E244N-Y243C-E244H 116.253 178.495 7.198
I245N-E244C-I245H 115.317 176.998 7.067
K248N-P247C-K248H 126.184 177.627 8.351
R249N-K248C-R249H 115.043 178.963 8.709
L250N-R249C-L250H 117.379 176.767 7.422
S252N-I251C-S252H 110.650 175.521 7.803
I253N-S252C-I253H 114.869 174.026 6.877
F254N-I253C-F254H 121.030 176.363 7.362
T255N-F254C-T255H 109.280 175.219 8.933
E256N-T255C-E256H 119.660 175.545 10.386
Q257N-E256C-Q257H 119.161 178.022 8.063
E258N-Q257C-E258H 119.313 178.680 7.364
E260N-L259C-E260H 117.602 177.132 6.818
L261N-E260C-L261H 119.149 178.319 7.042
I263N-L262C-I263H 114.392 177.085 7.678
S264N-I263C-S264H 109.968 175.936 8.159
G265N-S264C-G265H 112.028 175.957 8.082
L266N-G265C-L266H 126.086 172.329 7.591
;
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 . . N 15 N . 'not observed' 29.7 ppm . . . . . . 52542 7
2 . . C 13 CO . 'not observed' 15.8 ppm . . . . . . 52542 7
3 . . H 1 HN . 'not observed' 12 ppm . . . . . . 52542 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
2 $software_2 . . 52542 7
3 $software_3 . . 52542 7
stop_
save_