Content for NMR-STAR saveframe, spectral_peak_list_4
save_spectral_peak_list_4
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_4
_Spectral_peak_list.Entry_ID 54000
_Spectral_peak_list.ID 4
_Spectral_peak_list.Name 'TZP HMQC'
_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 1
_Spectral_peak_list.Experiment_name '2D 1H-15N HMQC'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_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 HMQC_15N_peaks.txt
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
# Observed peak coordinates from existing CCPN export: spectrum hmqc15n, peak list 1.
# Height: original arbitrary units; not integrated volume. No atom assignments asserted.
peak_id H1_ppm N15_ppm height_au
3 7.983026345755068 110.27837799715907 506368736.0
4 7.974682662533153 109.44937547596868 1810318592.0
5 8.222140317981658 107.8334204385109 3378542336.0
7 7.80595367241105 113.21282706283289 1674806528.0
8 7.839036929186262 112.86925742052549 5490621952.0
9 7.670398427101793 112.27212961055064 4514929152.0
12 7.827260264553521 113.83847953612404 3068576000.0
18 7.324621817883374 107.4733756142929 8143179264.0
20 6.900824240413409 107.47370614224884 8061044224.0
22 7.567659842971695 104.90481003419045 381292672.0
24 8.68342192206241 116.5864427650311 5709295104.0
26 7.736452792187756 118.24788643964166 3885838080.0
27 7.807253625859183 118.0684802296762 5458714624.0
28 7.955999127993623 116.47319257316782 1944528128.0
29 7.926895171212831 115.65939111492496 651541376.0
30 8.096823161310045 117.10822433536262 2270577152.0
31 7.965937266355883 119.36696902398305 275450752.0
32 7.983994586689267 118.42514269031388 287414912.0
33 8.116776249204952 118.94241457683106 426495040.0
34 8.164388356173923 119.53384491746053 259948096.0
36 8.286896932139973 119.41116791385751 241622720.0
37 8.271125435587692 118.81384873675734 220591872.0
38 8.187769842667114 117.80329474655345 279454272.0
39 7.586747456329126 120.48880027813448 395944896.0
40 7.814360337560471 119.82981270916729 355607296.0
41 8.178327651198774 122.4413515230663 267420096.0
42 8.323190350978965 121.46612840300307 295269632.0
43 8.196164096128769 121.32193696712226 1357633024.0
44 8.05010129511322 121.24828150639092 264248800.0
45 8.086898042983714 120.8912528295071 3545937152.0
46 8.040296985266384 120.60212315593218 802561024.0
48 7.890756517531841 123.77833868274287 3167142144.0
50 7.758642545407334 122.40300873581214 347302560.0
51 7.467377137290047 127.85943131151907 5159556096.0
52 7.761448757364449 131.35707021790057 416313984.0
53 8.263600452779139 134.9831172039835 4820859392.0
54 7.215099298081469 110.21560756566245 2521530880.0
55 6.610853825455719 110.20943849385928 2398334464.0
56 8.164024550119876 118.81774456855075 191902960.0
57 8.016623283869805 117.08304243606095 301695328.0
60 7.850452319278283 114.44931551045663 4912387072.0
64 7.3610100143648864 107.73912183666604 706520192.0
67 6.9439849853515625 107.74430847167969 540595712.0
;
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' 9.9159 ppm . . . . . . 54000 4
2 . . N 15 Amide . 'not observed' 36.0489 ppm . . . . . . 54000 4
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 . . 54000 4
stop_
save_