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 31013
_Spectral_peak_list.ID 4
_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 3
_Spectral_peak_list.Experiment_name '3D HNCACB'
_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
;
label dataset sw sf
H1 C13
20200526_AO11_aromatic_gChsqc.nv
2403.25927734 6034.48681641
799.963989258 201.156997681
H1.L H1.P H1.W H1.B H1.E H1.J H1.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U vol int stat comment flag0 flag8 flag9
0 {} 7.99802 0.02136 0.02356 ++ {0.0} {} {} 138.55855 0.23162 0.54865 ++ {0.0} {} 0.186537474394 0.0141 0 {} 0 0 0
1 {} 8.07118 0.03823 0.01896 ++ {0.0} {} {} 138.38104 0.42733 0.22849 ++ {0.0} {} 0.105101674795 0.0072 0 {} 0 0 0
2 {} 7.98057 0.02885 0.04121 ++ {0.0} {} {} 138.15749 0.35987 0.41587 ++ {0.0} {} 0.377609848976 0.0150 0 {} 0 0 0
3 {} 7.93145 0.02385 0.04261 ++ {0.0} {} {} 138.14565 0.33219 0.60874 ++ {0.0} {} 1.2671880722 0.0773 0 {} 0 0 0
4 {} 8.09747 0.02595 0.03575 ++ {0.0} {} {} 137.77147 0.33827 0.47636 ++ {0.0} {} 0.377276360989 0.0213 0 {} 0 0 0
5 {} 8.17062 0.03273 0.04237 ++ {0.0} {} {} 137.68674 0.42949 0.50430 ++ {0.0} {} 0.441592186689 0.0144 0 {} 0 0 0
6 {} 8.22660 0.02668 0.12737 ++ {0.0} {} {} 137.41298 0.29806 0.64657 ++ {0.0} {} 1.87504374981 0.1068 0 {} 0 0 0
7 {} 8.28101 0.03338 0.04769 ++ {0.0} {} {} 137.30348 0.37853 0.50885 ++ {0.0} {} 0.653487861156 0.0206 0 {} 0 0 0
8 {} 8.32515 0.02473 0.10857 ++ {0.0} {} {} 137.21428 0.33617 0.65421 ++ {0.0} {} 2.309633255 0.1433 0 {} 0 0 0
9 {} 8.36154 0.02103 0.02658 ++ {0.0} {} {} 136.63037 0.34766 0.43783 ++ {0.0} {} 0.256294339895 0.0179 0 {} 0 0 0
10 {} 8.40003 0.02350 0.02011 ++ {0.0} {} {} 136.54512 0.28427 0.23410 ++ {0.0} {} 0.133946657181 0.0097 0 {} 0 0 0
11 {} 7.13918 0.02681 0.03147 ++ {0.0} {} {} 133.80438 0.16117 0.40998 ++ {0.0} {} 0.104188367724 0.0147 0 {} 0 0 0
12 {} 7.46534 0.03303 0.07279 ++ {0.0} {} {} 133.62923 0.25769 0.55079 ++ {0.0} {} 1.45367026329 0.0727 0 {} 0 0 0
13 {} 7.54436 0.03240 0.00795 ++ {0.0} {} {} 133.27177 0.30562 0.04716 ++ {0.0} {} 0.0354604870081 0.0063 0 {} 0 0 0
14 {} 7.32315 0.03410 0.04871 ++ {0.0} {} {} 133.27354 0.24364 0.11629 ++ {0.0} {} 0.144731163979 0.0077 0 {} 0 0 0
15 {} 7.29958 0.01836 0.02623 ++ {0.0} {} {} 133.26949 0.52847 0.02802 ++ {0.0} {} 0.0388393104076 0.0060 0 {} 0 0 0
16 {} 7.26604 0.02885 0.04121 ++ {0.0} {} {} 133.28146 0.37378 0.05262 ++ {0.0} {} 0.123872920871 0.0062 0 {} 0 0 0
17 {} 7.21122 0.02360 0.03372 ++ {0.0} {} {} 133.24698 0.52835 0.40048 ++ {0.0} {} 0.269776016474 0.0089 0 {} 0 0 0
18 {} 7.12005 0.05367 0.11766 ++ {0.0} {} {} 133.24126 0.36658 0.69056 ++ {0.0} {} 2.43793296814 0.0602 0 {} 0 0 0
19 {} 6.94798 0.03312 0.02557 ++ {0.0} {} {} 133.21082 0.28760 0.18868 ++ {0.0} {} 0.14203619957 0.0085 0 {} 0 0 0
20 {} 6.74651 0.02146 0.03066 ++ {0.0} {} {} 133.19580 0.25387 0.05197 ++ {0.0} {} 0.0786883756518 0.0065 0 {} 0 0 0
21 {} 6.64319 0.04931 0.12199 ++ {0.0} {} {} 133.21779 0.31962 0.54692 ++ {0.0} {} 1.96556985378 0.0617 0 {} 0 0 0
22 {} 7.03469 0.02360 0.03372 ++ {0.0} {} {} 133.14603 0.28376 0.10126 ++ {0.0} {} 0.0952212736011 0.0071 0 {} 0 0 0
23 {} 7.00690 0.02885 0.04121 ++ {0.0} {} {} 133.13522 0.36487 0.22552 ++ {0.0} {} 0.177952438593 0.0081 0 {} 0 0 0
24 {} 7.29251 0.01067 0.00940 ++ {0.0} {} {} 132.70409 0.21059 0.15895 ++ {0.0} {} -0.0503867603838 -0.0094 0 {} 0 0 0
25 {} 7.31758 0.02014 0.03326 ++ {0.0} {} {} 132.69363 0.26552 0.63618 ++ {0.0} {} 0.960256636143 0.0686 0 {} 0 0 0
26 {} 7.31847 0.02532 0.05040 ++ {0.0} {} {} 132.14706 0.28135 0.47096 ++ {0.0} {} 0.623126029968 0.0374 0 {} 0 0 0
27 {} 7.41732 0.01999 0.02447 ++ {0.0} {} {} 132.10298 0.13312 0.16799 ++ {0.0} {} -0.0942358598113 -0.0158 0 {} 0 0 0
28 {} 7.25238 0.03783 0.03501 ++ {0.0} {} {} 131.95551 0.43843 0.40466 ++ {0.0} {} 0.323554992676 0.0106 0 {} 0 0 0
29 {} 7.31833 0.02045 0.02661 ++ {0.0} {} {} 131.77840 0.12327 0.17041 ++ {0.0} {} -0.116614535451 -0.0189 0 {} 0 0 0
30 {} 7.41619 0.02743 0.04207 ++ {0.0} {} {} 131.73061 0.29908 0.44312 ++ {0.0} {} 0.45794609189 0.0262 0 {} 0 0 0
31 {} 7.35291 0.04382 0.03954 ++ {0.0} {} {} 131.37604 0.35847 0.32602 ++ {0.0} {} 0.289106398821 0.0104 0 {} 0 0 0
32 {} 7.41533 0.02385 0.01607 ++ {0.0} {} {} 131.26111 0.19660 0.24267 ++ {0.0} {} 0.0934350267053 0.0083 0 {} 0 0 0
33 {} 6.97094 0.03077 0.05842 ++ {0.0} {} {} 131.01569 0.34059 0.55976 ++ {0.0} {} 0.735374569893 0.0356 0 {} 0 0 0
34 {} 7.36787 0.02149 0.03325 ++ {0.0} {} {} 130.40356 0.32599 0.46984 ++ {0.0} {} 0.389531373978 0.0284 0 {} 0 0 0
35 {} 7.29597 0.02601 0.01265 ++ {0.0} {} {} 129.87788 0.44486 0.16166 ++ {0.0} {} 0.0620277710259 0.0071 0 {} 0 0 0
36 {} 6.98133 0.01797 0.03222 ++ {0.0} {} {} 123.32494 0.23953 0.45951 ++ {0.0} {} 0.486821055412 0.0429 0 {} 0 0 0
37 {} 7.55375 0.01499 0.00474 ++ {0.0} {} {} 120.08779 0.30715 0.04298 ++ {0.0} {} -0.0124321216717 -0.0062 0 {} 0 0 0
38 {} 7.27866 0.01651 0.01700 ++ {0.0} {} {} 120.11823 0.37316 0.18536 ++ {0.0} {} -0.0942002460361 -0.0074 0 {} 0 0 0
39 {} 7.19622 0.03047 0.16974 ++ {0.0} {} {} 120.13397 0.30635 0.67407 ++ {0.0} {} -4.14229059219 -0.2056 0 {} 0 0 0
40 {} 7.13157 0.02360 0.03372 ++ {0.0} {} {} 119.87809 0.34759 0.46829 ++ {0.0} {} -0.403745144606 -0.0216 0 {} 0 0 0
41 {} 7.09652 0.01964 0.02435 ++ {0.0} {} {} 119.83634 0.46794 0.59152 ++ {0.0} {} -0.300400137901 -0.0159 0 {} 0 0 0
42 {} 7.02108 0.02178 0.04369 ++ {0.0} {} {} 119.38251 0.31103 0.56263 ++ {0.0} {} -0.975220143795 -0.0710 0 {} 0 0 0
43 {} 7.18202 0.02103 0.01104 ++ {0.0} {} {} 119.08589 0.25936 0.10370 ++ {0.0} {} -0.052629545331 -0.0073 0 {} 0 0 0
44 {} 6.90120 0.02302 0.00240 ++ {0.0} {} {} 118.81981 0.10115 0.00632 ++ {0.0} {} -0.00602743402123 -0.0060 0 {} 0 0 0
45 {} 6.90728 0.02885 0.04121 ++ {0.0} {} {} 118.41412 0.29142 0.51491 ++ {0.0} {} 1.64379572868 0.0872 0 {} 0 0 0
46 {} 6.87786 0.02885 0.04121 ++ {0.0} {} {} 118.41256 0.23171 0.47444 ++ {0.0} {} 1.30401706696 0.0785 0 {} 0 0 0
47 {} 6.96464 0.01043 0.01849 ++ {0.0} {} {} 118.40259 0.34081 0.25837 ++ {0.0} {} 0.0863186195493 0.0096 0 {} 0 0 0
48 {} 6.65273 0.02335 0.01862 ++ {0.0} {} {} 118.37443 0.06869 0.04663 ++ {0.0} {} -0.0507779307663 -0.0088 0 {} 0 0 0
49 {} 6.82065 0.07059 0.10116 ++ {0.0} {} {} 118.23153 0.32554 0.56267 ++ {0.0} {} 2.78842186928 0.0613 0 {} 0 0 0
50 {} 6.65126 0.02693 0.10215 ++ {0.0} {} {} 117.98746 0.30292 0.53188 ++ {0.0} {} 1.70526003838 0.1017 0 {} 0 0 0
51 {} 6.65117 0.02415 0.00898 ++ {0.0} {} {} 117.60694 0.03921 0.00828 ++ {0.0} {} -0.0246561802924 -0.0065 0 {} 0 0 0
52 {} 7.52346 0.03099 0.02379 ++ {0.0} {} {} 116.33282 0.29880 0.19077 ++ {0.0} {} -0.142955005169 -0.0086 0 {} 0 0 0
53 {} 7.35838 0.02223 0.02476 ++ {0.0} {} {} 111.89086 0.33888 0.38770 ++ {0.0} {} -0.2108374089 -0.0147 0 {} 0 0 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 HN . 'not observed' 2806.527 Hz . . . 4.786 . . 31013 4
2 . . C 13 C-aliphatic . 'not observed' 12873.572 Hz . . . 45.114 . . 31013 4
3 . . N 15 HN . 'not observed' 1945.430 Hz . . . 119.15 . . 31013 4
stop_
save_