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 52649
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name CBCANH
_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 '3D CBCANH'
_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 N
#INAME 3 C
#SPECTRUM CBCANH HN N C
1 8.23024228 109.5253028 44.4408047 1 U 1 1 e 0 0 0 0 0
2 8.296757458 120.4489266 40.91076721 1 U 1 1 e 0 0 0 0 0
3 8.002588851 128.0712733 57.85502349 1 U 1 1 e 0 0 0 0 0
4 8.002315001 128.0684851 55.94096079 1 U 1 1 e 0 0 0 0 0
5 8.002872751 128.0316586 33.72582334 1 U 1 1 e 0 0 0 0 0
6 8.174525331 108.5323274 44.05530175 1 U 1 1 e 0 0 0 0 0
7 8.326312824 121.4157455 31.14539585 1 U 1 1 e 0 0 0 0 0
8 8.266482987 110.6908645 44.26169907 1 U 1 1 e 0 0 0 0 0
9 8.326982211 118.945486 55.79389168 1 U 1 1 e 0 0 0 0 0
10 8.338001095 126.0805399 19.31466182 1 U 1 1 e 0 0 0 0 0
11 8.093933708 120.2715574 32.5698538 1 U 1 1 e 0 0 0 0 0
12 8.089557346 120.3100215 19.16302075 1 U 1 1 e 0 0 0 0 0
13 8.091207399 120.3004781 52.61908867 1 U 1 1 e 0 0 0 0 0
14 8.092034879 120.230354 62.14790071 1 U 1 1 e 0 0 0 0 0
15 8.359428583 123.4366987 56.09494681 1 U 1 1 e 0 0 0 0 0
16 8.306153141 120.6546579 51.96118218 1 U 1 1 e 0 0 0 0 0
17 8.642772901 124.25406 30.55760989 1 U 1 1 e 0 0 0 0 0
18 8.642548364 124.2521571 56.31155286 1 U 1 1 e 0 0 0 0 0
19 8.643634966 124.2380848 41.61463727 1 U 1 1 e 0 0 0 0 0
20 8.643260787 124.238214 51.76860329 1 U 1 1 e 0 0 0 0 0
21 8.403650578 120.2831921 56.07486903 1 U 1 1 e 0 0 0 0 0
22 8.39899389 119.1585885 56.69866504 1 U 1 1 e 0 0 0 0 0
23 8.398114505 119.1585885 63.9218398 1 U 1 1 e 0 0 0 0 0
24 8.398114356 119.1585885 30.18070955 1 U 1 1 e 0 0 0 0 0
25 8.402040982 119.1585885 32.33763306 1 U 1 1 e 0 0 0 0 0
26 7.961589846 120.2418109 56.12360047 1 U 1 1 e 0 0 0 0 0
27 7.961461965 120.2374723 30.49926196 1 U 1 1 e 0 0 0 0 0
28 8.206861164 122.0623094 56.23818402 1 U 1 1 e 0 0 0 0 0
29 8.204389781 122.0349045 56.14068971 1 U 1 1 e 0 0 0 0 0
30 8.204242786 122.0319608 30.77323499 1 U 1 1 e 0 0 0 0 0
31 8.257344462 115.5770037 61.79524484 1 U 1 1 e 0 0 0 0 0
32 8.258746114 115.6032865 56.05801691 1 U 1 1 e 0 0 0 0 0
33 8.259260933 115.6028188 30.8657614 1 U 1 1 e 0 0 0 0 0
34 8.257431857 115.5772408 69.76079943 1 U 1 1 e 0 0 0 0 0
35 8.152196863 116.6151718 69.87309588 1 U 1 1 e 0 0 0 0 0
36 8.15271065 116.5938111 69.80220214 1 U 1 1 e 0 0 0 0 0
37 8.152601054 116.6115727 61.59840278 1 U 1 1 e 0 0 0 0 0
38 8.324514024 128.2092499 18.14593952 1 U 1 1 e 0 0 0 0 0
39 8.325067027 128.222434 69.83562854 1 U 1 1 e 0 0 0 0 0
40 8.324643671 128.2119834 50.59332622 1 U 1 1 e 0 0 0 0 0
41 8.324887981 128.2190121 61.59985563 1 U 1 1 e 0 0 0 0 0
42 8.404410156 121.4894967 55.89715395 1 U 1 1 e 0 0 0 0 0
43 8.40485948 121.4694929 63.06612542 1 U 1 1 e 0 0 0 0 0
44 8.405114947 121.4709595 32.39524257 1 U 1 1 e 0 0 0 0 0
45 8.40613483 121.4834174 30.62372431 1 U 1 1 e 0 0 0 0 0
46 8.303309481 125.5184643 30.81396524 1 U 1 1 e 0 0 0 0 0
47 8.303107486 125.579033 52.25844589 1 U 1 1 e 0 0 0 0 0
48 8.302951252 125.5479843 19.42292883 1 U 1 1 e 0 0 0 0 0
49 8.302567041 125.5361909 56.096603 1 U 1 1 e 0 0 0 0 0
50 8.327928362 121.4598413 19.39645686 1 U 1 1 e 0 0 0 0 0
51 8.328663199 121.4906735 56.08734296 1 U 1 1 e 0 0 0 0 0
52 8.328067325 121.4685406 33.19370984 1 U 1 1 e 0 0 0 0 0
53 8.327782507 121.4598747 52.18584272 1 U 1 1 e 0 0 0 0 0
54 8.385652193 124.4636371 54.13715597 1 U 1 1 e 0 0 0 0 0
55 8.387557007 124.4671222 56.28402146 1 U 1 1 e 0 0 0 0 0
56 8.386185941 124.4437868 32.63034085 1 U 1 1 e 0 0 0 0 0
57 8.420100571 116.4785185 63.87793576 1 U 1 1 e 0 0 0 0 0
58 8.419595437 116.513317 32.1575078 1 U 1 1 e 0 0 0 0 0
59 8.419403041 116.5134783 58.20071552 1 U 1 1 e 0 0 0 0 0
60 8.373017257 126.4734759 19.31881481 1 U 1 1 e 0 0 0 0 0
61 8.373293548 126.4881896 63.80944375 1 U 1 1 e 0 0 0 0 0
62 8.373149643 126.4785882 52.37463773 1 U 1 1 e 0 0 0 0 0
63 8.373578145 126.4903148 58.29264419 1 U 1 1 e 0 0 0 0 0
64 8.27919384 121.077276 33.08485664 1 U 1 1 e 0 0 0 0 0
65 8.277892726 120.9326176 19.31354659 1 U 1 1 e 0 0 0 0 0
66 8.278663977 121.0798185 56.19542977 1 U 1 1 e 0 0 0 0 0
67 8.339082402 123.0832857 55.68461612 1 U 1 1 e 0 0 0 0 0
68 8.334718629 122.9888899 31.02538302 1 U 1 1 e 0 0 0 0 0
69 8.336083643 122.9888899 33.34647865 1 U 1 1 e 0 0 0 0 0
70 8.414507421 127.471514 50.42884095 1 U 1 1 e 0 0 0 0 0
71 8.414350626 127.476983 55.80200847 1 U 1 1 e 0 0 0 0 0
72 8.417196892 127.4805242 18.11526456 1 U 1 1 e 0 0 0 0 0
73 8.414481719 127.4785121 31.17373437 1 U 1 1 e 0 0 0 0 0
74 8.232435557 114.8481121 63.4454411 1 U 1 1 e 0 0 0 0 0
75 8.234497977 114.8678956 61.75866181 1 U 1 1 e 0 0 0 0 0
76 8.233483996 114.8473248 69.86264721 1 U 1 1 e 0 0 0 0 0
77 8.2334234 114.8629574 32.10106345 1 U 1 1 e 0 0 0 0 0
78 8.417196892 123.7690217 61.94767679 1 U 1 1 e 0 0 0 0 0
79 8.417196892 123.7690217 53.58748409 1 U 1 1 e 0 0 0 0 0
80 8.419962439 123.8310132 29.10883094 1 U 1 1 e 0 0 0 0 0
81 8.416570572 123.8443309 69.71197924 1 U 1 1 e 0 0 0 0 0
82 8.463886244 115.9373436 63.73373827 1 U 1 1 e 0 0 0 0 0
83 8.463903717 115.8377436 58.58731408 1 U 1 1 e 0 0 0 0 0
84 8.461885139 123.226622 56.17244525 1 U 1 1 e 0 0 0 0 0
85 8.461661543 123.2356867 30.77669917 1 U 1 1 e 0 0 0 0 0
86 8.461848421 123.224882 58.655959 1 U 1 1 e 0 0 0 0 0
87 8.461894286 123.2170471 63.61406654 1 U 1 1 e 0 0 0 0 0
88 8.169647049 115.3433913 62.01222823 1 U 1 1 e 0 0 0 0 0
89 8.169433591 115.3398318 30.81156899 1 U 1 1 e 0 0 0 0 0
90 8.169467797 115.344298 69.73564664 1 U 1 1 e 0 0 0 0 0
91 8.169758482 115.3369859 56.08847198 1 U 1 1 e 0 0 0 0 0
92 8.34206749 123.7690217 62.06277427 1 U 1 1 e 0 0 0 0 0
93 8.344476525 123.6858478 30.81327832 1 U 1 1 e 0 0 0 0 0
94 8.34786216 123.7690217 56.00959599 1 U 1 1 e 0 0 0 0 0
95 8.334702159 125.2753417 55.92997856 1 U 1 1 e 0 0 0 0 0
96 8.336762324 125.4994656 19.19558461 1 U 1 1 e 0 0 0 0 0
97 8.335072433 125.4706839 52.46934433 1 U 1 1 e 0 0 0 0 0
98 8.33710208 125.6538043 29.77759601 1 U 1 1 e 0 0 0 0 0
99 8.339009079 118.4453483 19.09182125 1 U 1 1 e 0 0 0 0 0
100 8.339034624 118.4424027 52.51050998 1 U 1 1 e 0 0 0 0 0
101 8.340928687 118.4947814 55.93146335 1 U 1 1 e 0 0 0 0 0
102 8.338136386 118.4378879 30.04812795 1 U 1 1 e 0 0 0 0 0
103 8.299824291 125.3719721 52.60475687 1 U 1 1 e 0 0 0 0 0
104 8.299824291 125.3719721 56.07043326 1 U 1 1 e 0 0 0 0 0
105 8.302322866 125.2659605 30.09800053 1 U 1 1 e 0 0 0 0 0
106 8.301437942 125.2723721 19.41026349 1 U 1 1 e 0 0 0 0 0
107 8.519277307 120.2048728 30.27347462 1 U 1 1 e 0 0 0 0 0
108 8.519473151 120.2123013 52.57959017 1 U 1 1 e 0 0 0 0 0
109 8.519108685 120.2018728 56.72728436 1 U 1 1 e 0 0 0 0 0
110 8.519671745 120.2138243 19.27198914 1 U 1 1 e 0 0 0 0 0
111 8.367175766 116.6195851 56.52978591 1 U 1 1 e 0 0 0 0 0
112 8.366768888 116.6205528 30.26685786 1 U 1 1 e 0 0 0 0 0
113 8.367219507 116.610925 58.48507746 1 U 1 1 e 0 0 0 0 0
114 8.366964061 116.6127722 63.70663841 1 U 1 1 e 0 0 0 0 0
115 8.353335978 120.6259959 58.37605563 1 U 1 1 e 0 0 0 0 0
116 8.353288724 120.6304619 63.61426229 1 U 1 1 e 0 0 0 0 0
117 8.353978748 120.6330451 58.54088969 1 U 1 1 e 0 0 0 0 0
118 8.35290621 120.6260737 28.36199484 1 U 1 1 e 0 0 0 0 0
119 8.292265449 110.8832802 44.72348391 1 U 1 1 e 0 0 0 0 0
120 8.292490655 110.8726085 58.2228898 1 U 1 1 e 0 0 0 0 0
121 8.292158551 110.8793815 28.2713358 1 U 1 1 e 0 0 0 0 0
122 8.535488853 120.6141675 29.14227137 1 U 1 1 e 0 0 0 0 0
123 8.535851996 120.6101358 32.35716445 1 U 1 1 e 0 0 0 0 0
124 8.535951493 120.6178527 63.34509283 1 U 1 1 e 0 0 0 0 0
125 8.535611197 120.6174408 55.85197397 1 U 1 1 e 0 0 0 0 0
126 8.398464121 122.3747541 28.86333913 1 U 1 1 e 0 0 0 0 0
127 8.39893813 122.3784963 30.97600598 1 U 1 1 e 0 0 0 0 0
128 8.395687623 122.3746551 55.95723762 1 U 1 1 e 0 0 0 0 0
129 8.452974675 110.1219046 56.24964246 1 U 1 1 e 0 0 0 0 0
130 8.452630116 110.1151456 45.19805602 1 U 1 1 e 0 0 0 0 0
131 8.185327759 123.8372292 52.58838309 1 U 1 1 e 0 0 0 0 0
132 8.186348127 123.8369293 19.38429215 1 U 1 1 e 0 0 0 0 0
133 8.186539235 123.854916 45.1969767 1 U 1 1 e 0 0 0 0 0
134 8.381779957 119.9434866 30.70245604 1 U 1 1 e 0 0 0 0 0
135 8.381517892 119.9566203 56.23652838 1 U 1 1 e 0 0 0 0 0
136 8.381884092 119.9309301 52.56415478 1 U 1 1 e 0 0 0 0 0
137 8.381667484 119.9281015 19.29754147 1 U 1 1 e 0 0 0 0 0
138 8.268722555 116.7639746 58.44234464 1 U 1 1 e 0 0 0 0 0
139 8.26868021 116.7760484 55.97315253 1 U 1 1 e 0 0 0 0 0
140 8.269207787 116.7699635 30.6998565 1 U 1 1 e 0 0 0 0 0
141 8.268651473 116.7641847 63.80209013 1 U 1 1 e 0 0 0 0 0
142 8.367226192 123.0847022 58.61993788 1 U 1 1 e 0 0 0 0 0
143 8.367697382 123.0770727 56.13178793 1 U 1 1 e 0 0 0 0 0
144 8.366671139 123.0863305 30.81920047 1 U 1 1 e 0 0 0 0 0
145 8.36719238 123.0743262 63.77382187 1 U 1 1 e 0 0 0 0 0
146 8.344717832 122.6633855 30.86953179 1 U 1 1 e 0 0 0 0 0
147 8.347128307 122.5200981 56.2643307 1 U 1 1 e 0 0 0 0 0
148 8.346776267 122.5163243 30.77443837 1 U 1 1 e 0 0 0 0 0
149 8.347737769 122.6633855 56.14129657 1 U 1 1 e 0 0 0 0 0
150 8.394255462 125.3904501 56.46075959 1 U 1 1 e 0 0 0 0 0
151 8.394122269 125.4039197 52.59014242 1 U 1 1 e 0 0 0 0 0
152 8.39414594 125.4088754 19.18614067 1 U 1 1 e 0 0 0 0 0
153 8.394322889 125.4091059 30.89632533 1 U 1 1 e 0 0 0 0 0
154 8.4042416 120.2611228 56.9141167 1 U 1 1 e 0 0 0 0 0
155 8.403964324 120.2557949 52.4023993 1 U 1 1 e 0 0 0 0 0
156 8.404026621 120.2538741 19.23653999 1 U 1 1 e 0 0 0 0 0
157 8.404333704 120.2583163 30.38201606 1 U 1 1 e 0 0 0 0 0
158 8.32296358 120.8187929 30.8066395 1 U 1 1 e 0 0 0 0 0
159 8.325967221 120.7617302 30.50663797 1 U 1 1 e 0 0 0 0 0
160 8.35447711 121.4612245 41.23237035 1 U 1 1 e 0 0 0 0 0
161 8.354317142 121.4597549 56.43632101 1 U 1 1 e 0 0 0 0 0
162 8.354795633 121.4249149 54.60320843 1 U 1 1 e 0 0 0 0 0
163 8.355031593 121.4804244 30.8567235 1 U 1 1 e 0 0 0 0 0
164 8.318772169 109.1712401 41.01097347 1 U 1 1 e 0 0 0 0 0
165 8.318649746 109.1720334 54.57150893 1 U 1 1 e 0 0 0 0 0
166 8.318923083 109.1635046 45.44327369 1 U 1 1 e 0 0 0 0 0
167 8.247608795 120.5939897 54.37541475 1 U 1 1 e 0 0 0 0 0
168 8.247127558 120.5943651 45.49535365 1 U 1 1 e 0 0 0 0 0
169 8.24666961 120.6047484 41.31642984 1 U 1 1 e 0 0 0 0 0
170 8.222456789 114.2820659 41.3909892 1 U 1 1 e 0 0 0 0 0
171 8.222503461 114.2775447 69.50963844 1 U 1 1 e 0 0 0 0 0
172 8.222537824 114.2766597 61.78070785 1 U 1 1 e 0 0 0 0 0
173 8.222242488 114.2826092 54.38963364 1 U 1 1 e 0 0 0 0 0
174 8.203126347 116.4306743 62.35956137 1 U 1 1 e 0 0 0 0 0
175 8.203013037 116.4021464 61.77839196 1 U 1 1 e 0 0 0 0 0
176 8.203188706 116.4311878 69.63777101 1 U 1 1 e 0 0 0 0 0
177 8.386521614 123.6417077 62.53396817 1 U 1 1 e 0 0 0 0 0
178 8.386644365 123.6332218 56.37926916 1 U 1 1 e 0 0 0 0 0
179 8.386118518 123.6474968 69.59823921 1 U 1 1 e 0 0 0 0 0
180 8.386695699 123.6332269 30.39660855 1 U 1 1 e 0 0 0 0 0
181 8.33449309 124.2323026 30.09291717 1 U 1 1 e 0 0 0 0 0
182 8.334960336 124.2395216 32.38917408 1 U 1 1 e 0 0 0 0 0
183 8.335826193 124.2391719 54.12163031 1 U 1 1 e 0 0 0 0 0
184 8.335120891 124.2390588 56.6590551 1 U 1 1 e 0 0 0 0 0
185 8.46650885 121.9968542 32.49048819 1 U 1 1 e 0 0 0 0 0
186 8.465731204 122.0109416 55.77519807 1 U 1 1 e 0 0 0 0 0
187 8.465731204 122.0109416 63.11966643 1 U 1 1 e 0 0 0 0 0
188 8.466656833 122.0180743 30.7968993 1 U 1 1 e 0 0 0 0 0
189 8.36768428 126.9499917 31.07947829 1 U 1 1 e 0 0 0 0 0
190 8.36866258 126.8944975 18.19339721 1 U 1 1 e 0 0 0 0 0
191 8.36866258 126.8944975 55.85333071 1 U 1 1 e 0 0 0 0 0
192 8.36866258 126.8944975 50.38404576 1 U 1 1 e 0 0 0 0 0
193 8.229757101 108.9731408 63.06602549 1 U 1 1 e 0 0 0 0 0
194 8.230060809 108.9764437 44.45597848 1 U 1 1 e 0 0 0 0 0
195 8.229828814 108.9751367 32.11884177 1 U 1 1 e 0 0 0 0 0
196 8.442514134 121.4210316 30.76503083 1 U 1 1 e 0 0 0 0 0
197 8.440281257 121.5640828 55.95275912 1 U 1 1 e 0 0 0 0 0
198 8.438682225 121.5520647 63.21638561 1 U 1 1 e 0 0 0 0 0
199 8.086925568 121.4468495 30.775828 1 U 1 1 e 0 0 0 0 0
200 8.088866723 121.4750604 32.98044214 1 U 1 1 e 0 0 0 0 0
201 8.091323653 121.4249149 61.94767679 1 U 1 1 e 0 0 0 0 0
202 8.501404125 124.4058471 62.03875795 1 U 1 1 e 0 0 0 0 0
203 8.501883594 124.418014 29.86864617 1 U 1 1 e 0 0 0 0 0
204 8.501772052 124.419841 53.80410796 1 U 1 1 e 0 0 0 0 0
205 8.405547378 124.6901764 19.18316417 1 U 1 1 e 0 0 0 0 0
206 8.4057707 124.6857358 32.12126031 1 U 1 1 e 0 0 0 0 0
207 8.405750921 124.6916572 52.28161991 1 U 1 1 e 0 0 0 0 0
208 8.40546717 124.6880668 63.06161998 1 U 1 1 e 0 0 0 0 0
209 8.091444906 119.7043757 52.32959874 1 U 1 1 e 0 0 0 0 0
210 8.091676641 119.6990768 62.15695606 1 U 1 1 e 0 0 0 0 0
211 8.091658429 119.6983015 32.83244085 1 U 1 1 e 0 0 0 0 0
212 8.091335043 119.7003752 19.18927246 1 U 1 1 e 0 0 0 0 0
213 8.421367685 125.6023906 62.16470974 1 U 1 1 e 0 0 0 0 0
214 8.41685286 125.6102441 52.81852034 1 U 1 1 e 0 0 0 0 0
215 8.420168337 125.6054423 33.06617859 1 U 1 1 e 0 0 0 0 0
216 8.419366134 125.613765 19.19105127 1 U 1 1 e 0 0 0 0 0
217 8.068257322 112.845005 69.6818993 1 U 1 1 e 0 0 0 0 0
218 8.068702385 112.8531436 19.23811162 1 U 1 1 e 0 0 0 0 0
219 8.067764295 112.8419452 62.00249101 1 U 1 1 e 0 0 0 0 0
220 8.068209136 112.8475767 52.79983121 1 U 1 1 e 0 0 0 0 0
221 8.395315921 123.0447978 30.19744831 1 U 1 1 e 0 0 0 0 0
222 8.394871181 123.0461557 62.16651117 1 U 1 1 e 0 0 0 0 0
223 8.395081836 123.0528091 56.61529066 1 U 1 1 e 0 0 0 0 0
224 8.39537075 123.0395207 69.56549435 1 U 1 1 e 0 0 0 0 0
225 8.264158564 122.9491226 30.18169483 1 U 1 1 e 0 0 0 0 0
226 8.264258158 123.0474984 55.09278013 1 U 1 1 e 0 0 0 0 0
227 8.264034293 122.9425052 56.97507512 1 U 1 1 e 0 0 0 0 0
228 8.264660482 122.9876528 42.64891419 1 U 1 1 e 0 0 0 0 0
229 8.062009159 114.7549212 69.73384246 1 U 1 1 e 0 0 0 0 0
230 8.062432649 114.7587638 55.17300917 1 U 1 1 e 0 0 0 0 0
231 8.062186328 114.7556777 61.82113344 1 U 1 1 e 0 0 0 0 0
232 8.062676099 114.7584348 42.38443086 1 U 1 1 e 0 0 0 0 0
233 8.324114669 123.4214598 61.90082505 1 U 1 1 e 0 0 0 0 0
234 8.324146603 123.3586524 32.96039489 1 U 1 1 e 0 0 0 0 0
235 8.323887886 123.4142506 69.65869041 1 U 1 1 e 0 0 0 0 0
236 8.32330636 123.4034153 56.61861491 1 U 1 1 e 0 0 0 0 0
237 8.296415225 120.9736634 54.34659279 1 U 1 1 e 0 0 0 0 0
238 8.296182038 120.9675842 41.16068652 1 U 1 1 e 0 0 0 0 0
239 8.295730424 120.8932381 32.7135666 1 U 1 1 e 0 0 0 0 0
240 8.10477105 123.8835717 41.17852465 1 U 1 1 e 0 0 0 0 0
241 8.10430774 123.8942672 19.34259626 1 U 1 1 e 0 0 0 0 0
242 8.104387833 123.8820092 54.6617729 1 U 1 1 e 0 0 0 0 0
243 8.104219944 123.8937765 52.29895091 1 U 1 1 e 0 0 0 0 0
244 8.306261321 120.643546 53.74374937 1 U 1 1 e 0 0 0 0 0
245 8.305696348 120.5585412 28.94528405 1 U 1 1 e 0 0 0 0 0
246 8.46944254 116.2269358 58.28191229 1 U 1 1 e 0 0 0 0 0
247 8.468547392 116.2115568 32.1337572 1 U 1 1 e 0 0 0 0 0
248 8.469720256 116.2237088 64.08044285 1 U 1 1 e 0 0 0 0 0
249 8.413592329 125.9094946 19.14392573 1 U 1 1 e 0 0 0 0 0
250 8.41262189 126.0045099 63.88083616 1 U 1 1 e 0 0 0 0 0
251 8.41337593 125.9068126 52.84131727 1 U 1 1 e 0 0 0 0 0
252 8.412425875 126.0013935 58.37927169 1 U 1 1 e 0 0 0 0 0
253 8.267970124 118.7642339 19.11651742 1 U 1 1 e 0 0 0 0 0
254 8.268841415 118.7714462 32.84375104 1 U 1 1 e 0 0 0 0 0
255 8.268219776 118.7813238 52.71210128 1 U 1 1 e 0 0 0 0 0
256 8.268880894 118.768297 55.78412116 1 U 1 1 e 0 0 0 0 0
257 8.196468971 121.2648332 41.20051704 1 U 1 1 e 0 0 0 0 0
258 8.196704745 121.2636159 54.28272717 1 U 1 1 e 0 0 0 0 0
259 8.196635621 121.2526064 56.09678399 1 U 1 1 e 0 0 0 0 0
260 8.196199671 121.2599786 32.75705804 1 U 1 1 e 0 0 0 0 0
261 8.195987909 124.4976991 41.26569529 1 U 1 1 e 0 0 0 0 0
262 8.195873339 124.5125232 19.00618671 1 U 1 1 e 0 0 0 0 0
263 8.195769835 124.5102179 52.84377247 1 U 1 1 e 0 0 0 0 0
264 8.19562732 124.5009052 54.70433626 1 U 1 1 e 0 0 0 0 0
265 8.233622328 122.4062108 53.01705182 1 U 1 1 e 0 0 0 0 0
266 8.233728344 122.4182349 52.91895961 1 U 1 1 e 0 0 0 0 0
267 8.23374199 122.4172874 18.9486465 1 U 1 1 e 0 0 0 0 0
268 8.235116816 107.7201705 18.88687522 1 U 1 1 e 0 0 0 0 0
269 8.236926589 107.7509584 52.80615767 1 U 1 1 e 0 0 0 0 0
270 8.236926589 107.7509584 45.38355666 1 U 1 1 e 0 0 0 0 0
271 8.121317489 123.593587 45.44137495 1 U 1 1 e 0 0 0 0 0
272 8.121739508 123.6059083 52.77503377 1 U 1 1 e 0 0 0 0 0
273 8.121376406 123.6217735 19.30763189 1 U 1 1 e 0 0 0 0 0
274 8.063135781 112.7399094 69.69954028 1 U 1 1 e 0 0 0 0 0
275 8.184857933 126.5227187 52.35183211 1 U 1 1 e 0 0 0 0 0
276 8.184670918 126.5249898 19.27245597 1 U 1 1 e 0 0 0 0 0
277 8.184435551 126.5093635 61.92205502 1 U 1 1 e 0 0 0 0 0
278 8.184221614 126.511619 69.63437448 1 U 1 1 e 0 0 0 0 0
279 8.275422544 121.6732202 19.19323059 1 U 1 1 e 0 0 0 0 0
280 8.27631625 121.6483639 30.24423032 1 U 1 1 e 0 0 0 0 0
281 8.274847307 121.6566771 51.96074641 1 U 1 1 e 0 0 0 0 0
282 8.276366203 121.6472815 53.94988716 1 U 1 1 e 0 0 0 0 0
283 8.598844311 124.7469092 19.17172075 1 U 1 1 e 0 0 0 0 0
284 8.5991552 124.735389 32.23651404 1 U 1 1 e 0 0 0 0 0
285 8.598916509 124.7455738 52.54373686 1 U 1 1 e 0 0 0 0 0
286 8.599185931 124.7372969 63.21736956 1 U 1 1 e 0 0 0 0 0
287 8.30368337 120.4708046 19.25589432 1 U 1 1 e 0 0 0 0 0
288 8.299274298 120.2735711 31.05325013 1 U 1 1 e 0 0 0 0 0
289 8.298631654 120.3128235 52.3552506 1 U 1 1 e 0 0 0 0 0
290 8.299153438 120.2685148 55.86315094 1 U 1 1 e 0 0 0 0 0
291 8.419296417 125.5049836 31.03728473 1 U 1 1 e 0 0 0 0 0
292 8.421255159 125.5159183 55.91035848 1 U 1 1 e 0 0 0 0 0
293 8.419260523 125.614577 30.95068166 1 U 1 1 e 0 0 0 0 0
294 8.419223832 125.6104856 55.82933257 1 U 1 1 e 0 0 0 0 0
295 8.249267325 123.4690177 30.624186 1 U 1 1 e 0 0 0 0 0
296 8.248941161 123.4657457 32.71473103 1 U 1 1 e 0 0 0 0 0
297 8.249483052 123.4639111 55.53488619 1 U 1 1 e 0 0 0 0 0
298 8.249935828 123.4641305 59.85515866 1 U 1 1 e 0 0 0 0 0
299 8.465731204 120.643546 56.00959599 1 U 1 1 e 0 0 0 0 0
300 8.465731204 120.643546 63.35406435 1 U 1 1 e 0 0 0 0 0
301 8.467511522 120.6441072 29.47205816 1 U 1 1 e 0 0 0 0 0
302 8.467754379 120.6362453 32.30177454 1 U 1 1 e 0 0 0 0 0
303 8.437997311 121.6202572 32.41353807 1 U 1 1 e 0 0 0 0 0
304 8.438150905 121.6436211 29.1139944 1 U 1 1 e 0 0 0 0 0
305 8.437728591 121.5821672 55.95680345 1 U 1 1 e 0 0 0 0 0
306 8.419639114 121.867709 29.62104154 1 U 1 1 e 0 0 0 0 0
307 8.419219337 121.8378059 55.85215921 1 U 1 1 e 0 0 0 0 0
308 8.337250259 125.6151822 19.32814807 1 U 1 1 e 0 0 0 0 0
309 8.33513032 125.6151822 29.59626832 1 U 1 1 e 0 0 0 0 0
310 8.336683657 125.5543827 55.95279179 1 U 1 1 e 0 0 0 0 0
311 8.116353454 120.4813912 19.18382302 1 U 1 1 e 0 0 0 0 0
312 8.116384902 120.470224 60.95103674 1 U 1 1 e 0 0 0 0 0
313 8.116237306 120.481806 52.41749021 1 U 1 1 e 0 0 0 0 0
314 8.116169667 120.4738124 38.64521961 1 U 1 1 e 0 0 0 0 0
315 8.272043091 126.8203377 42.5664358 1 U 1 1 e 0 0 0 0 0
316 8.272246728 126.8169123 38.44221614 1 U 1 1 e 0 0 0 0 0
317 8.272023074 126.8210582 54.69081437 1 U 1 1 e 0 0 0 0 0
318 8.272695045 126.815916 60.99060044 1 U 1 1 e 0 0 0 0 0
319 8.263843955 122.970363 40.83249292 1 U 1 1 e 0 0 0 0 0
320 8.256266474 122.9876528 42.57033003 1 U 1 1 e 0 0 0 0 0
321 8.263695389 122.9544236 54.76990906 1 U 1 1 e 0 0 0 0 0
322 8.263395212 122.9675437 52.14541467 1 U 1 1 e 0 0 0 0 0
323 8.431063838 119.862177 56.32212656 1 U 1 1 e 0 0 0 0 0
324 8.431063838 119.862177 29.99142617 1 U 1 1 e 0 0 0 0 0
325 8.430404349 119.9584181 32.37349757 1 U 1 1 e 0 0 0 0 0
326 8.431291746 119.9605406 63.38212434 1 U 1 1 e 0 0 0 0 0
327 8.049722814 124.3550485 29.99142617 1 U 1 1 e 0 0 0 0 0
328 8.049722814 124.3550485 52.96242295 1 U 1 1 e 0 0 0 0 0
329 8.053071607 124.2848066 56.46236736 1 U 1 1 e 0 0 0 0 0
330 8.049722814 124.3550485 41.78945513 1 U 1 1 e 0 0 0 0 0
331 8.321599976 124.1688135 32.17285243 1 U 1 1 e 0 0 0 0 0
332 8.316499002 124.1965214 52.46264452 1 U 1 1 e 0 0 0 0 0
333 8.316012085 124.1808245 63.06816611 1 U 1 1 e 0 0 0 0 0
334 8.316373791 124.1976552 19.2187023 1 U 1 1 e 0 0 0 0 0
335 8.088986526 119.5362213 19.2042097 1 U 1 1 e 0 0 0 0 0
336 8.09201479 119.5362213 62.23391678 1 U 1 1 e 0 0 0 0 0
337 8.090421445 119.5362213 52.48485481 1 U 1 1 e 0 0 0 0 0
338 8.090696435 119.5362213 32.96590777 1 U 1 1 e 0 0 0 0 0
339 8.372286974 125.1845705 32.98508808 1 U 1 1 e 0 0 0 0 0
340 8.375328102 125.1511791 31.03343963 1 U 1 1 e 0 0 0 0 0
341 8.3748742 125.1582707 55.61899835 1 U 1 1 e 0 0 0 0 0
342 8.374651805 125.1625101 62.25477305 1 U 1 1 e 0 0 0 0 0
343 8.438873877 123.9501058 55.93346067 1 U 1 1 e 0 0 0 0 0
344 8.437848594 123.8969223 31.07551114 1 U 1 1 e 0 0 0 0 0
345 8.439473148 123.9531607 33.0374298 1 U 1 1 e 0 0 0 0 0
346 8.359401147 124.3870932 32.11508638 1 U 1 1 e 0 0 0 0 0
347 8.35967602 124.3688309 52.23473888 1 U 1 1 e 0 0 0 0 0
348 8.359436859 124.3710244 62.78197264 1 U 1 1 e 0 0 0 0 0
349 8.359653178 124.3676966 19.32495916 1 U 1 1 e 0 0 0 0 0
350 8.278090035 120.7545606 19.22138199 1 U 1 1 e 0 0 0 0 0
351 8.278734711 120.7545606 32.85446626 1 U 1 1 e 0 0 0 0 0
352 8.278306269 120.8264893 52.11126345 1 U 1 1 e 0 0 0 0 0
353 8.278290985 120.5826351 52.20949502 1 U 1 1 e 0 0 0 0 0
354 8.40776829 118.6746796 56.83454598 1 U 1 1 e 0 0 0 0 0
355 8.407977489 118.6746796 64.08664666 1 U 1 1 e 0 0 0 0 0
356 8.411196587 118.4947814 29.6596516 1 U 1 1 e 0 0 0 0 0
357 8.407840648 118.6746796 32.39458053 1 U 1 1 e 0 0 0 0 0
358 7.917986824 123.5736795 56.9471877 1 U 1 1 e 0 0 0 0 0
359 7.915571108 123.5883397 18.89127135 1 U 1 1 e 0 0 0 0 0
360 7.917986824 123.5736795 52.96242295 1 U 1 1 e 0 0 0 0 0
361 7.915283517 123.5936174 29.7472089 1 U 1 1 e 0 0 0 0 0
362 8.042789341 118.6901236 56.24399392 1 U 1 1 e 0 0 0 0 0
363 8.049722814 118.6901236 52.88429031 1 U 1 1 e 0 0 0 0 0
364 8.046416394 118.6603958 30.52925751 1 U 1 1 e 0 0 0 0 0
365 8.046461663 118.6764018 18.89488493 1 U 1 1 e 0 0 0 0 0
366 8.097303519 121.7965909 30.23802129 1 U 1 1 e 0 0 0 0 0
367 8.097028412 121.8603325 56.38685728 1 U 1 1 e 0 0 0 0 0
368 8.098257126 121.8155994 32.96046657 1 U 1 1 e 0 0 0 0 0
369 8.065198358 121.7543 56.33439969 1 U 1 1 e 0 0 0 0 0
370 8.065625895 121.7859596 32.8379505 1 U 1 1 e 0 0 0 0 0
371 8.064672664 121.7798614 32.98893462 1 U 1 1 e 0 0 0 0 0
372 8.065615247 121.7902849 62.35231337 1 U 1 1 e 0 0 0 0 0
373 8.265613808 125.1831872 32.72495612 1 U 1 1 e 0 0 0 0 0
374 8.265278233 125.3311598 32.84723036 1 U 1 1 e 0 0 0 0 0
375 8.265609815 125.1841945 62.27957242 1 U 1 1 e 0 0 0 0 0
376 8.265644849 125.3311598 62.37240201 1 U 1 1 e 0 0 0 0 0
377 8.454091383 125.6444014 31.0610053 1 U 1 1 e 0 0 0 0 0
378 8.451864257 125.7224441 55.77519807 1 U 1 1 e 0 0 0 0 0
379 8.455295549 125.6326504 32.95840002 1 U 1 1 e 0 0 0 0 0
380 8.451864257 125.5271019 62.33834001 1 U 1 1 e 0 0 0 0 0
381 8.320128267 110.4857497 30.92901787 1 U 1 1 e 0 0 0 0 0
382 8.320128267 110.4857497 55.69706542 1 U 1 1 e 0 0 0 0 0
383 8.320128267 110.4857497 44.5240976 1 U 1 1 e 0 0 0 0 0
384 8.46433204 115.9373436 58.47689862 1 U 1 1 e 0 0 0 0 0
385 8.186149166 123.855 19.50196995 1 U 1 1 e 0 0 0 0 0
386 8.186535617 123.855 52.67300173 1 U 1 1 e 0 0 0 0 0
387 8.380637997 119.9302184 55.97991254 1 U 1 1 e 0 0 0 0 0
388 8.403329945 117.322728 58.27544261 1 U 1 1 e 0 0 0 0 0
389 8.405739167 117.2982479 55.83002011 1 U 1 1 e 0 0 0 0 0
390 8.403329945 117.322728 63.74472756 1 U 1 1 e 0 0 0 0 0
391 8.255823234 115.4638297 61.91955801 1 U 1 1 e 0 0 0 0 0
392 8.249390988 115.4638297 58.17441116 1 U 1 1 e 0 0 0 0 0
393 8.396396472 110.8764342 61.79141151 1 U 1 1 e 0 0 0 0 0
394 8.396396472 110.8764342 45.14915874 1 U 1 1 e 0 0 0 0 0
395 8.223059643 120.8388882 53.58748409 1 U 1 1 e 0 0 0 0 0
396 8.223059643 120.8388882 28.97570182 1 U 1 1 e 0 0 0 0 0
397 8.223059643 120.8388882 45.14915874 1 U 1 1 e 0 0 0 0 0
398 8.336809305 126.7827596 50.433822 1 U 1 1 e 0 0 0 0 0
399 8.335896408 126.7810925 55.90751603 1 U 1 1 e 0 0 0 0 0
400 8.33619265 126.7711404 30.99068334 1 U 1 1 e 0 0 0 0 0
401 8.336954146 126.7829833 18.18247031 1 U 1 1 e 0 0 0 0 0
402 8.504652891 122.945821 30.74804241 1 U 1 1 e 0 0 0 0 0
403 8.514265516 121.8155994 30.6164873 1 U 1 1 e 0 0 0 0 0
404 8.514265516 121.8155994 32.33540543 1 U 1 1 e 0 0 0 0 0
405 8.516854352 121.7408346 56.44391792 1 U 1 1 e 0 0 0 0 0
406 8.517375386 121.7314707 63.07070298 1 U 1 1 e 0 0 0 0 0
407 8.507332043 122.9876528 56.32212656 1 U 1 1 e 0 0 0 0 0
408 8.486531623 110.4857497 45.22729138 1 U 1 1 e 0 0 0 0 0
409 8.486531623 110.4857497 56.32212656 1 U 1 1 e 0 0 0 0 0
410 8.484038386 110.4327608 30.66707827 1 U 1 1 e 0 0 0 0 0
411 8.236926589 115.7599901 58.35357526 1 U 1 1 e 0 0 0 0 0
412 8.236926589 115.7599901 45.30542402 1 U 1 1 e 0 0 0 0 0
413 8.236926589 115.7599901 63.97912549 1 U 1 1 e 0 0 0 0 0
414 8.332370206 122.7651128 63.87230531 1 U 1 1 e 0 0 0 0 0
415 8.334898299 122.9810147 55.80167838 1 U 1 1 e 0 0 0 0 0
416 8.332306946 122.7857296 58.63685049 1 U 1 1 e 0 0 0 0 0
417 8.442192791 123.9050381 56.23394887 1 U 1 1 e 0 0 0 0 0
418 8.439116271 123.9501058 56.27220912 1 U 1 1 e 0 0 0 0 0
419 8.028922395 127.6758665 58.04104469 1 U 1 1 e 0 0 0 0 0
420 8.028831324 127.6775647 31.10761115 1 U 1 1 e 0 0 0 0 0
421 8.028922395 127.6758665 56.08772864 1 U 1 1 e 0 0 0 0 0
422 8.028841655 127.6808307 33.13300812 1 U 1 1 e 0 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 1
2 . . N 15 15N . 'not observed' 2027.582 Hz . . . . . . 52649 1
3 . . C 13 13C . 'not observed' 16099.540 Hz . . . . . . 52649 1
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 1
stop_
save_