Content for NMR-STAR saveframe, "spectral_peak_list_5"
save_spectral_peak_list_5
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_5
_Spectral_peak_list.Entry_ID 51188
_Spectral_peak_list.ID 5
_Spectral_peak_list.Name .
_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
G212N-T211C-G212H 107.061 174.467 8.398
Y213N-G212C-Y213H 121.585 173.097 7.792
G215N-V214C-G215H 110.166 174.773 8.465
L216N-G215C-L216H 119.294 171.229 6.725
S227N-N226C-S227H 116.228 177.307 8.422
L228N-S227C-L228H 123.746 175.606 7.872
L229N-L228C-L229H 119.292 178.108 8.779
Q230N-L229C-Q230H 114.990 179.161 7.647
T231N-Q230C-T231H 113.691 177.790 7.092
L232N-T231C-L232H 119.145 176.653 8.099
F233N-L232C-F233H 121.702 178.338 8.416
F234N-F233C-F234H 113.811 177.228 7.639
T235N-F234C-T235H 116.775 174.471 7.412
N236N-T235C-N236H 125.887 176.517 7.131
Q237N-N236C-Q237H 117.656 176.651 9.005
L238N-Q237C-L238H 117.030 178.756 7.203
R239N-L238C-R239H 122.060 176.695 7.572
K240N-R239C-K240H 114.329 176.588 8.189
A241N-K240C-A241H 120.824 177.947 7.107
V242N-A241C-V242H 118.920 179.881 8.565
Y243N-V242C-Y243H 120.201 179.979 7.990
M244N-Y243C-M244H 114.224 175.270 7.396
M245N-M244C-M245H 118.480 176.581 7.237
T247N-P246C-T247H 114.420 176.328 7.937
E248N-T247C-E248H 124.836 176.003 9.078
G249N-E248C-G249H 108.739 177.318 8.613
D250N-G249C-D250H 122.353 174.443 7.809
D251N-D250C-D251H 122.135 175.711 8.538
S252N-D251C-S252H 116.240 176.360 8.300
S253N-S252C-S253H 115.594 175.143 8.553
K254N-S253C-K254H 118.967 175.079 7.828
S255N-K254C-S255H 111.879 176.065 7.280
V256N-S255C-V256H 131.894 175.116 9.091
L258N-P257C-L258H 118.175 177.480 7.908
A259N-L258C-A259H 121.089 178.079 7.947
L260N-A259C-L260H 120.486 181.335 8.398
Q261N-L260C-Q261H 117.898 177.899 7.846
R262N-Q261C-R262H 117.979 177.957 8.489
V263N-R262C-V263H 117.865 177.755 7.707
F264N-V263C-F264H 118.334 177.813 8.537
Y265N-F264C-Y265H 120.596 176.257 9.292
E266N-Y265C-E266H 121.091 180.182 8.774
L267N-E266C-L267H 122.873 179.099 8.870
Q268N-L267C-Q268H 117.861 178.993 8.068
H269N-Q268C-H269H 114.784 176.097 7.566
S270N-H269C-S270H 116.831 175.045 9.275
D271N-S270C-D271H 121.857 174.450 8.407
K272N-D271C-K272H 121.847 175.619 8.046
V274N-P273C-V274H 126.717 176.378 8.274
G275N-V274C-G275H 114.007 175.930 8.757
T276N-G275C-T276H 115.350 174.525 8.270
K277N-T276C-K277H 117.814 179.351 7.370
K278N-K277C-K278H 122.237 179.148 7.893
L279N-K278C-L279H 120.284 179.108 7.275
T280N-L279C-T280H 112.526 178.379 8.225
K281N-T280C-K281H 119.902 176.950 7.512
S282N-K281C-S282H 116.117 179.186 7.330
F283N-S282C-F283H 115.767 175.113 6.840
G284N-F283C-G284H 108.590 176.346 7.470
W285N-G284C-W285H 122.887 175.075 6.870
E286N-W285C-E286H 117.766 174.620 8.180
T287N-E286C-T287H 109.463 176.554 7.673
D289N-D288C-D289H 116.698 178.550 8.217
F291N-S290C-F291H 119.498 175.706 7.703
M292N-F291C-M292H 117.713 178.380 8.062
Q293N-M292C-Q293H 116.284 177.304 7.331
H294N-Q293C-H294H 116.646 174.943 7.076
D295N-H294C-D295H 119.315 172.587 8.086
V296N-D295C-V296H 119.680 176.669 8.067
Q297N-V296C-Q297H 123.005 175.646 8.204
E298N-Q297C-E298H 121.867 178.405 8.061
L299N-E298C-L299H 119.488 179.392 7.734
C300N-L299C-C300H 118.643 176.984 8.299
R301N-C300C-R301H 117.488 175.713 7.808
V302N-R301C-V302H 119.148 178.294 7.761
L303N-V302C-L303H 119.115 179.651 7.800
L304N-L303C-L304H 116.392 178.283 8.650
D305N-L304C-D305H 120.821 179.055 8.904
N306N-D305C-N306H 116.844 179.322 7.222
V307N-N306C-V307H 115.551 178.732 7.729
E308N-V307C-E308H 123.233 176.783 8.915
N309N-E308C-N309H 117.133 180.525 7.877
K310N-N309C-K310H 120.891 177.964 7.449
M311N-K310C-M311H 114.355 176.697 7.656
K312N-M311C-K312H 124.564 177.353 7.419
G313N-K312C-G313H 113.513 177.455 9.720
T314N-G313C-T314H 109.044 174.387 7.607
C315N-T314C-C315H 120.140 177.237 8.380
V316N-C315C-V316H 112.247 175.221 7.798
E317N-V316C-E317H 125.786 175.605 7.467
G318N-E317C-G318H 109.710 176.881 8.330
T319N-G318C-T319H 120.264 174.673 7.891
I320N-T319C-I320H 118.979 174.284 8.891
K322N-P321C-K322H 116.499 178.556 7.559
L323N-K322C-L323H 116.518 178.652 7.504
F324N-L323C-F324H 110.857 176.706 7.783
R325N-F324C-R325H 115.825 173.850 7.649
G326N-R325C-G326H 115.481 177.157 8.058
K327N-G326C-K327H 117.850 171.039 7.700
M328N-K327C-M328H 125.072 175.908 9.716
V329N-M328C-V329H 120.173 173.175 9.134
S330N-V329C-S330H 122.977 173.272 8.757
Y331N-S330C-Y331H 124.764 174.258 8.849
I332N-Y331C-I332H 119.961 173.595 8.421
Q333N-I332C-Q333H 125.273 174.976 9.302
C334N-Q333C-C334H 125.555 176.248 8.696
K335N-C334C-K335H 121.437 174.533 8.052
E336N-K335C-E336H 116.651 178.097 9.604
V337N-E336C-V337H 110.801 176.315 6.894
D338N-V337C-D338H 122.355 174.713 8.371
Y339N-D338C-Y339H 124.977 174.519 7.545
R340N-Y339C-R340H 128.796 172.596 7.757
S341N-R340C-S341H 118.222 173.924 8.797
D342N-S341C-D342H 125.876 173.218 8.482
R343N-D342C-R343H 122.298 175.007 8.772
R344N-R343C-R344H 127.024 174.983 8.801
E345N-R344C-E345H 123.274 175.951 8.835
D346N-E345C-D346H 123.606 174.797 8.585
Y347N-D346C-Y347H 118.242 176.172 8.220
Y348N-Y347C-Y348H 119.349 172.301 9.111
D349N-Y348C-D349H 118.500 174.652 8.261
I350N-D349C-I350H 117.982 174.144 7.997
Q351N-I350C-Q351H 126.609 174.202 8.316
L352N-Q351C-L352H 124.171 174.373 8.754
S353N-L352C-S353H 118.521 175.727 8.686
I354N-S353C-I354H 119.175 174.502 8.550
K355N-I354C-K355H 123.856 176.188 7.471
G356N-K355C-G356H 118.044 177.992 9.859
K357N-G356C-K357H 121.349 173.865 8.339
K358N-K357C-K358H 119.381 175.771 8.968
N359N-K358C-N359H 110.254 177.884 7.113
I360N-N359C-I360H 116.946 175.097 7.011
F361N-I360C-F361H 123.817 175.761 7.881
E362N-F361C-E362H 117.521 177.622 8.057
S363N-E362C-S363H 115.117 180.535 7.802
F364N-S363C-F364H 124.496 177.333 8.227
V365N-F364C-V365H 119.352 177.496 8.299
D366N-V365C-D366H 118.164 178.844 7.541
Y367N-D366C-Y367H 122.869 177.937 8.043
V368N-Y367C-V368H 106.798 178.547 7.558
A369N-V368C-A369H 127.402 175.800 7.332
V370N-A369C-V370H 121.005 178.178 8.291
E371N-V370C-E371H 127.964 176.589 9.275
Q372N-E371C-Q372H 122.796 175.499 8.664
L373N-Q372C-L373H 128.028 175.448 8.904
D374N-L373C-D374H 121.135 174.153 7.690
G375N-D374C-G375H 109.130 176.186 8.923
D376N-G375C-D376H 120.510 176.329 8.310
N377N-D376C-N377H 119.232 175.757 8.422
K378N-N377C-K378H 116.556 174.237 6.766
Y379N-K378C-Y379H 121.644 174.823 8.144
D380N-Y379C-D380H 127.060 174.523 7.777
A381N-D380C-A381H 131.240 173.157 7.743
G382N-A381C-G382H 108.348 177.529 7.728
E383N-G382C-E383H 120.520 177.336 8.330
H384N-E383C-H384H 116.818 176.803 7.447
G385N-H384C-G385H 109.293 176.183 7.694
L386N-G385C-L386H 120.334 172.759 8.009
Q387N-L386C-Q387H 123.246 178.605 9.401
E388N-Q387C-E388H 122.365 175.522 9.067
A389N-E388C-A389H 127.536 177.971 9.150
E390N-A389C-E390H 119.313 174.086 8.628
K391N-E390C-K391H 123.900 173.764 8.793
G392N-K391C-G392H 110.121 174.274 7.163
V393N-G392C-V393H 117.824 170.785 7.722
K394N-V393C-K394H 121.517 176.125 8.857
F395N-K394C-F395H 119.656 175.554 8.167
L396N-F395C-L396H 123.684 175.018 9.190
T397N-L396C-T397H 109.156 178.117 8.588
L398N-T397C-L398H 124.245 173.487 8.394
V401N-P400C-V401H 115.000 174.473 7.939
L402N-V401C-L402H 127.443 173.030 9.296
H403N-L402C-H403H 128.470 175.160 9.546
L404N-H403C-L404H 121.535 174.031 8.797
Q405N-L404C-Q405H 122.807 175.978 9.039
L406N-Q405C-L406H 123.310 174.246 8.405
M407N-L406C-M407H 123.605 178.199 8.122
R408N-M407C-R408H 123.676 175.289 8.428
F409N-R408C-F409H 117.285 174.959 8.198
M410N-F409C-M410H 120.718 175.466 8.537
Y411N-M410C-Y411H 123.672 173.868 8.567
D412N-Y411C-D412H 128.831 174.411 8.202
Q414N-P413C-Q414H 116.180 178.406 7.909
T415N-Q414C-T415H 106.284 177.711 6.979
D416N-T415C-D416H 122.347 174.715 7.994
Q417N-D416C-Q417H 114.174 174.080 7.081
N418N-Q417C-N418H 120.922 174.182 8.654
I419N-N418C-I419H 120.781 174.966 8.981
K420N-I419C-K420H 123.676 174.409 8.172
I421N-K420C-I421H 127.479 175.916 9.155
N422N-I421C-N422H 126.858 176.236 8.976
D423N-N422C-D423H 117.125 173.835 7.129
R424N-D423C-R424H 122.482 174.746 8.659
F425N-R424C-F425H 129.857 176.224 9.301
E426N-F425C-E426H 126.018 173.439 7.452
F427N-E426C-F427H 115.621 173.739 5.707
E429N-P428C-E429H 119.696 177.127 8.883
Q430N-E429C-Q430H 116.135 175.393 7.759
L431N-Q430C-L431H 127.149 173.596 9.412
L433N-P432C-L433H 123.630 178.252 8.847
D434N-L433C-D434H 121.538 177.350 8.094
E435N-D434C-E435H 114.600 178.730 8.196
F436N-E435C-F436H 117.542 176.330 7.613
L437N-F436C-L437H 119.245 174.672 7.222
Q438N-L437C-Q438H 121.268 178.404 8.577
K439N-Q438C-K439H 117.442 175.804 7.839
T440N-K439C-T440H 118.005 175.497 8.391
D441N-T440C-D441H 121.633 173.246 8.828
K443N-P442C-K443H 115.051 177.742 8.088
D444N-K443C-D444H 117.791 176.394 7.470
A446N-P445C-A446H 130.604 177.127 9.250
N447N-A446C-N447H 121.502 174.918 7.630
Y448N-N447C-Y448H 125.414 174.234 8.613
I449N-Y448C-I449H 123.349 174.954 9.627
L450N-I449C-L450H 129.593 176.379 8.871
V453N-A452C-V453H 120.200 175.457 9.284
H456N-V455C-H456H 127.801 175.154 8.866
S457N-H456C-S457H 121.650 173.846 8.028
G458N-S457C-G458H 112.023 173.279 7.917
D459N-G458C-D459H 120.581 172.716 8.323
N460N-D459C-N460H 116.230 175.622 8.338
G462N-H461C-G462H 110.325 175.881 8.225
G463N-G462C-G463H 110.473 174.058 8.362
H464N-G463C-H464H 119.856 172.212 8.078
Y465N-H464C-Y465H 127.794 173.331 8.649
V467N-V466C-V467H 118.850 172.785 7.914
Y468N-V467C-Y468H 127.524 171.363 9.144
L469N-Y468C-L469H 124.485 175.413 9.363
N470N-L469C-N470H 119.192 175.578 7.099
K472N-P471C-K472H 113.181 178.752 8.446
G473N-K472C-G473H 109.152 177.337 8.231
D474N-G473C-D474H 116.056 172.682 7.799
G475N-D474C-G475H 110.553 177.482 8.903
K476N-G475C-K476H 121.197 173.503 7.154
W477N-K476C-W477H 125.868 175.664 8.841
C478N-W477C-C478H 117.748 177.157 9.363
K479N-C478C-K479H 125.126 172.000 9.313
F480N-K479C-F480H 126.264 174.213 9.235
D481N-F480C-D481H 129.073 174.812 8.811
D482N-D481C-D482H 119.298 175.191 8.267
D483N-D482C-D483H 121.355 176.237 9.253
V484N-D483C-V484H 123.556 175.106 8.013
V485N-V484C-V485H 131.118 174.214 8.355
S486N-V485C-S486H 120.520 175.808 8.736
R487N-S486C-R487H 123.986 173.816 8.833
C488N-R487C-C488H 119.886 175.994 8.481
T489N-C488C-T489H 111.281 172.646 8.504
K490N-T489C-K490H 121.344 175.570 8.660
E491N-K490C-E491H 117.812 177.487 8.245
E492N-E491C-E492H 116.198 176.800 6.834
A493N-E492C-A493H 116.195 175.376 6.296
I494N-A493C-I494H 116.983 177.029 7.121
E495N-I494C-E495H 119.020 175.409 7.464
H496N-E495C-H496H 117.460 179.601 8.408
N497N-H496C-N497H 114.537 176.211 8.004
Y498N-N497C-Y498H 121.030 177.606 7.748
G499N-Y498C-G499H 107.283 176.680 8.504
G500N-G499C-G500H 106.606 173.311 8.152
H501N-G500C-H501H 119.384 173.237 8.164
D502N-H501C-D502H 122.350 175.102 8.233
D503N-D502C-D503H 120.348 175.910 8.308
D504N-D503C-D504H 120.392 176.043 8.207
L505N-D504C-L505H 121.587 176.439 8.163
S506N-L505C-S506H 116.104 177.731 8.268
V507N-S506C-V507H 120.796 175.157 7.932
R508N-V507C-R508H 122.980 176.499 8.137
T511N-C510C-T511H 120.503 174.124 7.841
N512N-T511C-N512H 117.229 173.615 8.545
A513N-N512C-A513H 120.480 174.339 7.597
Y514N-A513C-Y514H 114.172 176.152 8.795
M515N-M514C-M515H 124.224 173.749 7.205
L516N-M515C-L516H 126.368 171.848 9.133
V517N-L516C-V517H 119.697 174.998 8.500
Y518N-V517C-Y518H 127.242 175.520 9.202
I519N-Y518C-I519H 120.019 174.358 9.563
R520N-I519C-R520H 132.507 175.508 9.264
E521N-R520C-E521H 130.696 177.828 9.183
S522N-E521C-S522H 112.451 179.083 8.376
K523N-S522C-K523H 118.988 175.729 7.514
L524N-K523C-L524H 125.117 176.604 7.388
S525N-L524C-S525H 111.133 177.766 8.481
E526N-S525C-E526H 121.572 175.440 7.353
V527N-E526C-V527H 121.180 178.852 8.596
L528N-V527C-L528H 114.023 176.998 7.936
Q529N-L528C-Q529H 119.504 175.749 6.552
A530N-Q529C-A530H 125.118 174.357 8.381
V531N-A530C-V531H 122.449 177.485 8.298
T532N-V531C-T532H 119.981 175.929 9.463
D535N-H534C-D535H 117.264 175.992 7.465
I536N-D535C-I536H 119.973 174.421 7.005
Q538N-P537C-Q538H 126.145 177.960 8.855
Q539N-Q538C-Q539H 116.401 177.718 8.988
L540N-Q539C-L540H 121.525 178.597 7.039
V541N-L540C-V541H 119.149 177.337 7.151
E542N-V541C-E542H 116.734 178.355 8.279
R543N-E542C-R543H 120.758 179.341 7.497
L544N-R543C-L544H 119.363 179.483 8.205
E547N-E546C-E547H 119.702 180.683 8.517
K548N-E547C-K548H 122.901 179.297 8.088
R549N-K548C-R549H 118.525 178.292 7.829
I550N-R549C-I550H 120.713 179.302 8.194
E551N-I550C-E551H 120.529 179.021 7.955
A552N-E551C-A552H 121.164 178.665 7.799
Q553N-A552C-Q553H 118.170 179.545 7.755
K554N-Q553C-K554H 120.031 177.479 7.886
R555N-K554C-R555H 120.329 177.659 7.856
K556N-R555C-K556H 121.475 176.993 7.962
E557N-K556C-E557H 120.892 177.135 8.131
R558N-E557C-R558H 120.819 176.508 8.051
Q559N-R558C-Q559H 122.331 175.880 8.290
E560N-Q559C-E560H 127.865 174.954 7.947
;
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 . . CO 13 CO . . . ppm . . . . . . 51188 5
2 . . N 15 NH . . . ppm . . . . . . 51188 5
3 . . HN 1 HN . . . ppm . . . . . . 51188 5
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 . . 51188 5
stop_
save_