Content for NMR-STAR saveframe, "spectral_peak_list_1"
save_spectral_peak_list_1
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_1
_Spectral_peak_list.Entry_ID 30600
_Spectral_peak_list.ID 1
_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 .
_Spectral_peak_list.Chem_shift_reference_label .
_Spectral_peak_list.Experiment_ID 1
_Spectral_peak_list.Experiment_name '2D 1H-15N HSQC'
_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 .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
# PEAKLIST_VERSION 1.1
# PEAKLIST_DIMENSION 2
# 2016-09-19T13:30:49 yyuan1
# DU=C:/Bruker/TopSpin3.5pl5/examdata, USER=yyuan1@ESC302642, NAME=VEK50-RH2-DL, EXPNO=2, PROCNO=1
# Manually picked peaks
# F2# F1# F2[ppm] F1[ppm] Intensity Annotation
0 391.8 603.8 8.1663 116.4279 3495648.62
1 413.0 664.5 8.0522 114.6492 4519495.38
2 348.8 463.9 8.3973 120.5268 1497842.08
3 382.7 513.6 8.2153 119.0701 2058899.34
4 380.6 528.5 8.2262 118.6356 2814368.43
5 342.8 471.2 8.4297 120.3135 3215270.99
6 308.5 427.5 8.6137 121.5953 3376861.41
7 449.6 498.8 7.8557 119.5058 3615717.77
8 396.0 518.6 8.1435 118.9243 3834219.27
9 388.9 490.9 8.1816 119.7378 3834225.44
10 360.0 419.9 8.3370 121.8170 3858353.30
11 388.4 488.7 8.1845 119.8015 3871862.09
12 404.3 502.8 8.0992 119.3869 3879385.65
13 411.0 459.5 8.0629 120.6552 3882345.35
14 396.1 503.8 8.1433 119.3574 3962756.58
15 353.9 514.9 8.3700 119.0345 4043531.57
16 401.3 406.8 8.1154 122.1997 4123917.30
17 320.8 432.8 8.5474 121.4395 4201974.58
18 396.0 461.1 8.1436 120.6103 4205161.28
19 448.9 495.3 7.8594 119.6071 4213495.12
20 381.0 441.3 8.2241 121.1908 4215135.46
21 356.8 395.4 8.3543 122.5364 4237832.79
22 383.2 463.0 8.2123 120.5538 4267494.83
23 417.1 430.9 8.0303 121.4959 4298075.30
24 418.0 478.5 8.0253 120.0991 4321956.44
25 412.2 416.2 8.0564 121.9254 4343774.68
26 374.3 366.7 8.2602 123.3768 4363658.90
27 389.1 455.8 8.1808 120.7664 4399829.92
28 412.0 440.0 8.0578 121.2292 4412700.46
29 398.9 478.8 8.1280 120.0924 4425842.52
30 374.7 369.4 8.2580 123.2967 4437361.60
31 345.2 284.0 8.4166 125.7981 4445682.82
32 410.2 363.5 8.0673 123.4707 4522697.59
33 432.8 461.2 7.9461 120.6053 4569283.40
34 414.8 535.1 8.0429 118.4409 4571144.22
35 421.9 393.1 8.0048 122.6017 4576049.20
36 415.9 464.1 8.0367 120.5207 4691753.15
37 402.0 375.4 8.1113 123.1215 4713412.13
38 353.1 511.4 8.3740 119.1342 4831570.65
39 436.7 459.9 7.9252 120.6446 4853987.52
40 364.1 387.4 8.3149 122.7703 4898121.87
41 383.9 499.9 8.2089 119.4720 4938755.19
42 377.8 461.6 8.2417 120.5944 4964751.72
43 377.2 460.0 8.2444 120.6428 5102808.30
44 424.1 451.5 7.9927 120.8923 5168005.03
45 395.6 353.4 8.1456 123.7645 5311649.77
46 358.9 363.0 8.3430 123.4839 5660818.53
47 325.9 320.5 8.5202 124.7311 5815637.79
48 391.6 388.4 8.1671 122.7413 5890284.30
49 516.8 331.9 7.4947 124.3944 6280152.49
50 404.1 491.2 8.0999 119.7278 6682237.56
51 414.1 346.4 8.0467 123.9710 6801004.56
52 424.7 455.6 7.9896 120.7697 6818660.06
53 371.8 447.1 8.2737 121.0187 6841324.20
54 490.8 739.1 7.6343 112.4640 5338190.50
55 516.0 732.1 7.4990 112.6679 5131119.00
56 629.7 732.1 6.8884 112.6679 3916320.12
57 621.1 738.4 6.9346 112.4838 4018346.06
;
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 HN . . 11 ppm . . . 4.7 . . 30600 1
2 . . N 15 N . . 30 ppm . . . 119 . . 30600 1
stop_
save_