Content for NMR-STAR saveframe, spectral_peak_list_2
save_spectral_peak_list_2
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_2
_Spectral_peak_list.Entry_ID 52649
_Spectral_peak_list.ID 2
_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 2
_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
;
# Number of dimensions 3
#FORMAT xeasy3D
#INAME 1 HN
#INAME 2 C
#INAME 3 N
#SPECTRUM HNCO HN C N
1 7.985338199 176.8708045 120.3463775 1 U 1 1 e 0 0 0 0
2 8.002113694 175.3408582 128.0179506 1 U 1 1 e 0 0 0 0
3 8.434642599 176.6636355 121.6462938 1 U 1 1 e 0 0 0 0
4 8.173525331 177.0142936 108.5996143 1 U 1 1 e 0 0 0 0
5 7.811961495 174.9646932 120.6140541 1 U 1 1 e 0 0 0 0
6 8.388462999 175.4280174 125.8287122 1 U 1 1 e 0 0 0 0
7 8.429523818 174.610397 123.0990888 1 U 1 1 e 0 0 0 0
8 8.607852613 176.1607325 122.4334175 1 U 1 1 e 0 0 0 0
9 7.977507922 174.8096955 120.9069804 1 U 1 1 e 0 0 0 0
10 8.529950895 175.9443159 120.9202762 1 U 1 1 e 0 0 0 0
11 7.863188051 175.3096991 122.2685118 1 U 1 1 e 0 0 0 0
12 8.09114202 177.9901885 113.1761687 1 U 1 1 e 0 0 0 0
13 8.338683893 175.767071 126.035732 1 U 1 1 e 0 0 0 0
14 8.178533697 177.6475776 119.5890105 1 U 1 1 e 0 0 0 0
15 8.093258434 176.4531449 120.2864939 1 U 1 1 e 0 0 0 0
16 8.537338333 176.148882 116.5364719 1 U 1 1 e 0 0 0 0
17 7.891147515 173.0753912 118.4419485 1 U 1 1 e 0 0 0 0
18 8.644310884 175.6676186 124.1935119 1 U 1 1 e 0 0 0 0
19 8.38157961 177.5826091 119.1320885 1 U 1 1 e 0 0 0 0
20 7.960240422 176.8954078 120.1372263 1 U 1 1 e 0 0 0 0
21 8.216415979 176.191334 122.1305549 1 U 1 1 e 0 0 0 0
22 8.255688872 176.5686617 115.5870619 1 U 1 1 e 0 0 0 0
23 8.151981994 174.5989352 116.5437039 1 U 1 1 e 0 0 0 0
24 8.324749189 173.8755576 128.2370118 1 U 1 1 e 0 0 0 0
25 8.406225073 176.9257614 121.4488067 1 U 1 1 e 0 0 0 0
26 8.303540171 176.0965732 125.5714217 1 U 1 1 e 0 0 0 0
27 8.328402435 177.5385404 121.4596168 1 U 1 1 e 0 0 0 0
28 8.388462999 176.3579034 124.4613235 1 U 1 1 e 0 0 0 0
29 8.419078371 176.9455744 116.5234571 1 U 1 1 e 0 0 0 0
30 8.373841941 174.3473936 126.4279365 1 U 1 1 e 0 0 0 0
31 8.276678647 177.5779205 121.1103129 1 U 1 1 e 0 0 0 0
32 8.337218571 176.4218744 123.0918693 1 U 1 1 e 0 0 0 0
33 8.415137883 175.6139518 127.4628295 1 U 1 1 e 0 0 0 0
34 8.233671878 177.0872745 114.8788503 1 U 1 1 e 0 0 0 0
35 8.416392193 174.4039641 123.9097678 1 U 1 1 e 0 0 0 0
36 8.460301398 177.3945789 115.8260394 1 U 1 1 e 0 0 0 0
37 8.463913052 174.8830248 123.1780886 1 U 1 1 e 0 0 0 0
38 8.166591858 176.522001 115.4365579 1 U 1 1 e 0 0 0 0
39 8.344865904 174.5009232 123.6399822 1 U 1 1 e 0 0 0 0
40 8.332995214 175.9750092 125.2817567 1 U 1 1 e 0 0 0 0
41 8.340609154 177.6261849 118.4319314 1 U 1 1 e 0 0 0 0
42 8.304041685 174.84163 125.2653473 1 U 1 1 e 0 0 0 0
43 8.521934032 177.7793912 120.137732 1 U 1 1 e 0 0 0 0
44 8.368703976 176.7767376 116.5501032 1 U 1 1 e 0 0 0 0
45 8.35335924 174.5226659 120.6115892 1 U 1 1 e 0 0 0 0
46 8.292909707 174.648466 110.8051062 1 U 1 1 e 0 0 0 0
47 8.536056072 177.2759763 120.6232591 1 U 1 1 e 0 0 0 0
48 8.399934865 176.2338519 122.3100422 1 U 1 1 e 0 0 0 0
49 8.453971206 176.8681021 110.0857285 1 U 1 1 e 0 0 0 0
50 8.194869165 174.0026628 123.8834912 1 U 1 1 e 0 0 0 0
51 8.382237409 178.0937142 119.8962529 1 U 1 1 e 0 0 0 0
52 8.26767922 176.5515537 116.7822779 1 U 1 1 e 0 0 0 0
53 8.366953722 174.5180663 123.0760897 1 U 1 1 e 0 0 0 0
54 8.347512304 176.3102914 122.515331 1 U 1 1 e 0 0 0 0
55 8.394986926 176.0335175 125.318941 1 U 1 1 e 0 0 0 0
56 8.403420719 177.8477643 120.2998608 1 U 1 1 e 0 0 0 0
57 8.322614051 176.6814306 120.8291891 1 U 1 1 e 0 0 0 0
58 8.354100312 176.110379 121.4501986 1 U 1 1 e 0 0 0 0
59 8.319128267 176.7407977 109.1465698 1 U 1 1 e 0 0 0 0
60 8.246502147 173.999054 120.6128208 1 U 1 1 e 0 0 0 0
61 8.221277181 176.840282 114.3108222 1 U 1 1 e 0 0 0 0
62 8.201634431 174.9320989 116.454722 1 U 1 1 e 0 0 0 0
63 8.387211338 174.6024262 123.6311691 1 U 1 1 e 0 0 0 0
64 8.336098487 176.0958737 124.205128 1 U 1 1 e 0 0 0 0
65 8.464731204 176.850196 122.0000238 1 U 1 1 e 0 0 0 0
66 8.367410895 175.8565847 126.9250432 1 U 1 1 e 0 0 0 0
67 8.230205065 177.1907708 108.899082 1 U 1 1 e 0 0 0 0
68 8.443292837 176.1303735 121.4485604 1 U 1 1 e 0 0 0 0
69 8.08758701 176.2095492 121.4237638 1 U 1 1 e 0 0 0 0
70 8.503202569 175.5656797 124.403453 1 U 1 1 e 0 0 0 0
71 8.404407188 176.5279676 124.7085529 1 U 1 1 e 0 0 0 0
72 8.091322989 177.7026124 119.7564958 1 U 1 1 e 0 0 0 0
73 8.422030821 175.9162032 125.5545672 1 U 1 1 e 0 0 0 0
74 8.074644401 178.0619869 112.9417696 1 U 1 1 e 0 0 0 0
75 8.393620197 174.6772024 123.0746799 1 U 1 1 e 0 0 0 0
76 8.264516025 176.4706675 122.8721397 1 U 1 1 e 0 0 0 0
77 8.061524996 177.632402 114.6652013 1 U 1 1 e 0 0 0 0
78 8.323365837 174.6839455 123.3674943 1 U 1 1 e 0 0 0 0
79 8.295935146 176.342273 120.9646146 1 U 1 1 e 0 0 0 0
80 8.103314253 175.7294331 123.8979003 1 U 1 1 e 0 0 0 0
81 8.304513271 177.4190153 120.5809821 1 U 1 1 e 0 0 0 0
82 8.470621624 177.0576839 116.2474193 1 U 1 1 e 0 0 0 0
83 8.409263418 174.6075297 126.1021899 1 U 1 1 e 0 0 0 0
84 8.268398012 178.0488345 118.7224278 1 U 1 1 e 0 0 0 0
85 8.196191516 176.2582957 121.197553 1 U 1 1 e 0 0 0 0
86 8.1953342 176.3608483 124.4623095 1 U 1 1 e 0 0 0 0
87 8.234608275 177.9481955 122.3398543 1 U 1 1 e 0 0 0 0
88 8.235926589 178.6005698 107.7791811 1 U 1 1 e 0 0 0 0
89 8.121026249 174.291882 123.631127 1 U 1 1 e 0 0 0 0
90 8.062316349 178.1530386 112.7119536 1 U 1 1 e 0 0 0 0
91 8.185476995 174.2692803 126.4324663 1 U 1 1 e 0 0 0 0
92 8.275406032 177.2952074 121.6710728 1 U 1 1 e 0 0 0 0
93 8.597695112 176.637068 124.7343505 1 U 1 1 e 0 0 0 0
94 8.298976928 177.798115 120.3075967 1 U 1 1 e 0 0 0 0
95 8.415431332 176.1764499 125.5549836 1 U 1 1 e 0 0 0 0
96 8.251257508 175.8990324 123.3858582 1 U 1 1 e 0 0 0 0
97 8.468082543 176.8636867 120.6324551 1 U 1 1 e 0 0 0 0
98 8.439502761 176.0855071 121.6927367 1 U 1 1 e 0 0 0 0
99 8.41812816 175.8475029 121.7781937 1 U 1 1 e 0 0 0 0
100 8.337362531 175.4770216 125.5766953 1 U 1 1 e 0 0 0 0
101 8.118057546 177.3424887 120.3591573 1 U 1 1 e 0 0 0 0
102 8.270593955 176.0297084 126.9226232 1 U 1 1 e 0 0 0 0
103 8.258924014 176.5227212 123.0232767 1 U 1 1 e 0 0 0 0
104 8.431636105 176.9337917 119.8847895 1 U 1 1 e 0 0 0 0
105 8.055656287 176.3579034 124.1878457 1 U 1 1 e 0 0 0 0
106 8.319128267 176.5767001 124.1878457 1 U 1 1 e 0 0 0 0
107 8.08934287 177.8238212 119.558158 1 U 1 1 e 0 0 0 0
108 8.374179785 175.9950011 125.0739205 1 U 1 1 e 0 0 0 0
109 8.430656042 175.8138619 123.623176 1 U 1 1 e 0 0 0 0
110 8.046399942 175.3812115 119.2731359 1 U 1 1 e 0 0 0 0
111 8.35891363 176.5102273 124.3784633 1 U 1 1 e 0 0 0 0
112 8.277527428 177.2877895 120.6326351 1 U 1 1 e 0 0 0 0
113 8.409263418 177.8347813 118.7182909 1 U 1 1 e 0 0 0 0
114 7.916986824 176.9595944 123.6408902 1 U 1 1 e 0 0 0 0
115 8.044032509 178.0939256 118.6839109 1 U 1 1 e 0 0 0 0
116 8.093294409 176.3470462 121.8571584 1 U 1 1 e 0 0 0 0
117 8.063708571 176.429348 121.7291507 1 U 1 1 e 0 0 0 0
118 8.263660482 175.9750092 125.2817567 1 U 1 1 e 0 0 0 0
119 8.450864257 175.92031 125.5552345 1 U 1 1 e 0 0 0 0
120 8.319128267 176.3032042 110.5139585 1 U 1 1 e 0 0 0 0
121 8.477710779 176.869691 110.5158347 1 U 1 1 e 0 0 0 0
122 8.402329945 176.522001 117.3509021 1 U 1 1 e 0 0 0 0
123 8.24535765 174.9090141 115.4263966 1 U 1 1 e 0 0 0 0
124 8.395396472 175.1545215 110.7874363 1 U 1 1 e 0 0 0 0
125 8.219940958 173.7637948 120.8900467 1 U 1 1 e 0 0 0 0
126 8.337398286 175.7591372 126.6870341 1 U 1 1 e 0 0 0 0
127 8.505498516 176.2002862 122.8677988 1 U 1 1 e 0 0 0 0
128 8.513265516 177.0689928 121.726546 1 U 1 1 e 0 0 0 0
129 8.47859815 176.9048952 110.5139585 1 U 1 1 e 0 0 0 0
130 8.234934391 174.1549916 115.7256026 1 U 1 1 e 0 0 0 0
131 8.330896091 174.3960708 122.7690221 1 U 1 1 e 0 0 0 0
132 8.439891372 175.9443111 123.9815852 1 U 1 1 e 0 0 0 0
133 8.027922395 175.4827166 127.7430564 1 U 1 1 e 0 0 0 0
134 8.727890823 176.7871903 120.6682428 1 U 1 1 e 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 1H . 'not observed' 11363.637 Hz . . . . . . 52649 2
2 . . N 15 15N . 'not observed' 2838.611 Hz . . . . . . 52649 2
3 . . C 13 13C . 'not observed' 2817.787 Hz . . . . . . 52649 2
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 . . 52649 2
2 $software_2 . . 52649 2
stop_
save_