Content for NMR-STAR saveframe, spectral_peak_list_3
save_spectral_peak_list_3
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_3
_Spectral_peak_list.Entry_ID 52649
_Spectral_peak_list.ID 3
_Spectral_peak_list.Name HNCA
_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 HNCA'
_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 HNCA HN C N
1 8.435190604 53.42043408 121.6753974 1 U 1 1 e 0 0 0 0
2 7.985427271 56.74992191 120.3816904 1 U 1 1 e 0 0 0 0
3 7.985077366 56.12498777 120.3549491 1 U 1 1 e 0 0 0 0
4 8.001060346 57.801885 128.0786781 1 U 1 1 e 0 0 0 0
5 8.001239595 56.23438866 128.0572979 1 U 1 1 e 0 0 0 0
6 8.172525331 44.11211256 108.6266143 1 U 1 1 e 0 0 0 0
7 8.386674996 52.54750458 125.9194071 1 U 1 1 e 0 0 0 0
8 8.429394967 56.6331995 123.1280787 1 U 1 1 e 0 0 0 0
9 8.267167983 44.34201738 110.7452455 1 U 1 1 e 0 0 0 0
10 8.608931413 54.07909766 122.4258128 1 U 1 1 e 0 0 0 0
11 8.608628946 62.41312321 122.3544653 1 U 1 1 e 0 0 0 0
12 8.324982211 55.84635168 118.945986 1 U 1 1 e 0 0 0 0
13 7.97810192 55.93620547 120.9969922 1 U 1 1 e 0 0 0 0
14 7.977406993 59.0549288 120.8964575 1 U 1 1 e 0 0 0 0
15 7.863776688 52.56083623 122.289681 1 U 1 1 e 0 0 0 0
16 8.07481945 62.22025171 113.2031687 1 U 1 1 e 0 0 0 0
17 8.081275656 52.87740335 113.2031687 1 U 1 1 e 0 0 0 0
18 8.335647659 55.8916671 126.0592954 1 U 1 1 e 0 0 0 0
19 8.177644915 62.09474735 119.6595553 1 U 1 1 e 0 0 0 0
20 8.095153828 53.32309928 120.2141131 1 U 1 1 e 0 0 0 0
21 8.536557303 58.25844928 116.5555299 1 U 1 1 e 0 0 0 0
22 7.891357428 53.20559738 118.4514477 1 U 1 1 e 0 0 0 0
23 8.542074347 56.09982416 123.2931125 1 U 1 1 e 0 0 0 0
24 8.64347365 56.30229941 124.2377796 1 U 1 1 e 0 0 0 0
25 8.643880272 51.85969815 124.2421602 1 U 1 1 e 0 0 0 0
26 8.401329945 56.06610609 120.3861573 1 U 1 1 e 0 0 0 0
27 8.131874556 53.00443738 121.7963848 1 U 1 1 e 0 0 0 0
28 8.396057783 56.7687022 119.1510867 1 U 1 1 e 0 0 0 0
29 8.394135315 63.92146907 119.0187686 1 U 1 1 e 0 0 0 0
30 7.958957997 56.75733811 120.2065168 1 U 1 1 e 0 0 0 0
31 7.959705963 56.11636825 120.2224523 1 U 1 1 e 0 0 0 0
32 8.20731439 56.21200263 122.0236536 1 U 1 1 e 0 0 0 0
33 8.204861164 56.29064402 122.0623094 1 U 1 1 e 0 0 0 0
34 8.254941743 61.84959997 115.5675014 1 U 1 1 e 0 0 0 0
35 8.256160531 56.24984998 115.5792103 1 U 1 1 e 0 0 0 0
36 8.151724911 61.69151481 116.5574689 1 U 1 1 e 0 0 0 0
37 8.15071065 69.85466214 116.5938111 1 U 1 1 e 0 0 0 0
38 8.324436517 50.64960992 128.2122207 1 U 1 1 e 0 0 0 0
39 8.325204713 61.59094434 128.2132439 1 U 1 1 e 0 0 0 0
40 8.407073143 55.98772492 121.5439272 1 U 1 1 e 0 0 0 0
41 8.405050702 63.07039175 121.4841181 1 U 1 1 e 0 0 0 0
42 8.303092074 52.30909595 125.6161098 1 U 1 1 e 0 0 0 0
43 8.302790196 55.977845 125.5368579 1 U 1 1 e 0 0 0 0
44 8.328724396 52.31295607 121.4878672 1 U 1 1 e 0 0 0 0
45 8.327633382 56.10869216 121.3524782 1 U 1 1 e 0 0 0 0
46 8.386352866 56.09916985 124.4323204 1 U 1 1 e 0 0 0 0
47 8.385464052 54.2800198 124.4355537 1 U 1 1 e 0 0 0 0
48 8.419011431 58.25279382 116.5283906 1 U 1 1 e 0 0 0 0
49 8.41963823 63.16655615 116.5332071 1 U 1 1 e 0 0 0 0
50 8.373220722 52.44463466 126.4672354 1 U 1 1 e 0 0 0 0
51 8.372534741 58.26534717 126.4781814 1 U 1 1 e 0 0 0 0
52 8.27880217 52.44071638 121.1337362 1 U 1 1 e 0 0 0 0
53 8.27724107 56.27069793 121.1027831 1 U 1 1 e 0 0 0 0
54 8.330422097 56.27153206 123.0151601 1 U 1 1 e 0 0 0 0
55 8.337082402 55.73707612 123.0832857 1 U 1 1 e 0 0 0 0
56 8.414666209 50.52186664 127.4804538 1 U 1 1 e 0 0 0 0
57 8.414759035 55.70880039 127.4837358 1 U 1 1 e 0 0 0 0
58 8.23338315 61.95123729 114.9032527 1 U 1 1 e 0 0 0 0
59 8.233469016 63.08004343 114.8956465 1 U 1 1 e 0 0 0 0
60 8.415196892 61.92590684 123.941368 1 U 1 1 e 0 0 0 0
61 8.415196892 53.72218579 123.941368 1 U 1 1 e 0 0 0 0
62 8.464139774 58.65558229 115.8377436 1 U 1 1 e 0 0 0 0
63 8.455379837 63.23075203 115.9378436 1 U 1 1 e 0 0 0 0
64 8.462289748 58.50852354 123.2234979 1 U 1 1 e 0 0 0 0
65 8.463165864 56.28197607 123.2415399 1 U 1 1 e 0 0 0 0
66 8.168623907 62.07123088 115.3449492 1 U 1 1 e 0 0 0 0
67 8.16871625 56.26745326 115.332585 1 U 1 1 e 0 0 0 0
68 8.34586216 56.06610609 123.6678902 1 U 1 1 e 0 0 0 0
69 8.34586216 62.04310286 123.6678902 1 U 1 1 e 0 0 0 0
70 8.333072433 52.52180433 125.4706839 1 U 1 1 e 0 0 0 0
71 8.332702159 55.98243856 125.2753417 1 U 1 1 e 0 0 0 0
72 8.338928687 55.94891008 118.4718131 1 U 1 1 e 0 0 0 0
73 8.341247218 52.66876258 118.4197367 1 U 1 1 e 0 0 0 0
74 8.304226683 52.68999372 125.3724721 1 U 1 1 e 0 0 0 0
75 8.301010417 55.94730229 125.3453329 1 U 1 1 e 0 0 0 0
76 8.521162466 56.75467135 120.2134951 1 U 1 1 e 0 0 0 0
77 8.52093424 52.70870101 120.1980808 1 U 1 1 e 0 0 0 0
78 8.368093395 56.74176771 116.6109777 1 U 1 1 e 0 0 0 0
79 8.368375693 58.49100571 116.6151291 1 U 1 1 e 0 0 0 0
80 8.351978748 58.59334969 120.6330451 1 U 1 1 e 0 0 0 0
81 8.353397687 58.43028016 120.6648245 1 U 1 1 e 0 0 0 0
82 8.291842813 58.40776116 110.8602056 1 U 1 1 e 0 0 0 0
83 8.292469042 44.77965499 110.871208 1 U 1 1 e 0 0 0 0
84 8.535417247 63.32987129 120.6186825 1 U 1 1 e 0 0 0 0
85 8.535451839 55.91312754 120.6226046 1 U 1 1 e 0 0 0 0
86 8.398863697 56.39891586 122.3803463 1 U 1 1 e 0 0 0 0
87 8.394396472 55.94891008 122.5739793 1 U 1 1 e 0 0 0 0
88 8.456402036 56.39937377 110.1645531 1 U 1 1 e 0 0 0 0
89 8.452508244 45.24175243 110.0940252 1 U 1 1 e 0 0 0 0
90 8.185903759 52.67161275 123.8916211 1 U 1 1 e 0 0 0 0
91 8.186504987 45.17653397 123.8807373 1 U 1 1 e 0 0 0 0
92 8.381510168 56.27519266 119.9322181 1 U 1 1 e 0 0 0 0
93 8.382137165 52.78256994 119.8929096 1 U 1 1 e 0 0 0 0
94 8.268026446 56.26144998 116.7967838 1 U 1 1 e 0 0 0 0
95 8.267758933 58.45898569 116.7800821 1 U 1 1 e 0 0 0 0
96 8.367146031 56.26564895 123.0637521 1 U 1 1 e 0 0 0 0
97 8.367670589 58.442743 123.086266 1 U 1 1 e 0 0 0 0
98 8.34572799 56.30680192 122.6633855 1 U 1 1 e 0 0 0 0
99 8.34572799 56.20246977 122.5513527 1 U 1 1 e 0 0 0 0
100 8.394319338 56.32910714 125.4217727 1 U 1 1 e 0 0 0 0
101 8.394389847 52.62762948 125.4068876 1 U 1 1 e 0 0 0 0
102 8.404371149 52.62444441 120.2573471 1 U 1 1 e 0 0 0 0
103 8.401329945 57.00367421 120.3861573 1 U 1 1 e 0 0 0 0
104 8.322517152 56.13243356 120.8664234 1 U 1 1 e 0 0 0 0
105 8.323883102 56.98355596 120.8372234 1 U 1 1 e 0 0 0 0
106 8.352563007 56.13266766 121.458221 1 U 1 1 e 0 0 0 0
107 8.352795633 54.77694993 121.4800683 1 U 1 1 e 0 0 0 0
108 8.318317722 54.78985659 109.1712578 1 U 1 1 e 0 0 0 0
109 8.318226167 45.47018751 109.173014 1 U 1 1 e 0 0 0 0
110 8.247075505 45.46250723 120.6133714 1 U 1 1 e 0 0 0 0
111 8.246664519 54.47608402 120.5971942 1 U 1 1 e 0 0 0 0
112 8.221406179 61.82468633 114.3167317 1 U 1 1 e 0 0 0 0
113 8.221978048 54.47454996 114.2981869 1 U 1 1 e 0 0 0 0
114 8.200976788 61.83293998 116.3339333 1 U 1 1 e 0 0 0 0
115 8.202118255 62.48189926 116.4369613 1 U 1 1 e 0 0 0 0
116 8.387202831 62.46558745 123.6356918 1 U 1 1 e 0 0 0 0
117 8.387051555 56.4596518 123.6261507 1 U 1 1 e 0 0 0 0
118 8.336959095 56.48282084 124.2624473 1 U 1 1 e 0 0 0 0
119 8.335355913 54.18618126 124.2397756 1 U 1 1 e 0 0 0 0
120 8.463731204 63.09786699 122.0270238 1 U 1 1 e 0 0 0 0
121 8.463731204 55.83171406 122.0270238 1 U 1 1 e 0 0 0 0
122 8.36666258 50.44069737 126.9496232 1 U 1 1 e 0 0 0 0
123 8.36666258 55.83171406 126.9496232 1 U 1 1 e 0 0 0 0
124 8.229250308 63.2205616 108.9620257 1 U 1 1 e 0 0 0 0
125 8.229336711 44.48155916 108.9619137 1 U 1 1 e 0 0 0 0
126 8.439734219 63.12114367 121.4973103 1 U 1 1 e 0 0 0 0
127 8.441615077 56.03059118 121.5178335 1 U 1 1 e 0 0 0 0
128 8.088849147 56.07641083 121.4755604 1 U 1 1 e 0 0 0 0
129 8.089323653 62.04310286 121.4800683 1 U 1 1 e 0 0 0 0
130 8.504671397 62.03479735 124.3932661 1 U 1 1 e 0 0 0 0
131 8.504127175 53.83941092 124.3902711 1 U 1 1 e 0 0 0 0
132 8.405037633 63.06901886 124.7042379 1 U 1 1 e 0 0 0 0
133 8.405022012 52.36526384 124.6854058 1 U 1 1 e 0 0 0 0
134 8.090019463 62.2284202 119.6690537 1 U 1 1 e 0 0 0 0
135 8.089398309 52.43173112 119.6894872 1 U 1 1 e 0 0 0 0
136 8.421407301 62.13786258 125.5947687 1 U 1 1 e 0 0 0 0
137 8.072945386 52.90534657 112.9980681 1 U 1 1 e 0 0 0 0
138 8.072656752 62.13112518 112.9929244 1 U 1 1 e 0 0 0 0
139 8.393420347 56.66132169 123.1163653 1 U 1 1 e 0 0 0 0
140 8.394037803 62.15741803 123.0918573 1 U 1 1 e 0 0 0 0
141 8.263490086 56.6506835 122.9706462 1 U 1 1 e 0 0 0 0
142 8.263323735 55.34439498 122.9282758 1 U 1 1 e 0 0 0 0
143 8.061161933 61.86858549 114.7546499 1 U 1 1 e 0 0 0 0
144 8.06059394 55.32619303 114.749402 1 U 1 1 e 0 0 0 0
145 8.323536337 56.67848114 123.4052457 1 U 1 1 e 0 0 0 0
146 8.323672819 61.87337537 123.4131302 1 U 1 1 e 0 0 0 0
147 8.295187704 56.64999278 120.9670066 1 U 1 1 e 0 0 0 0
148 8.295397655 54.49513155 120.9475416 1 U 1 1 e 0 0 0 0
149 8.103478242 54.49635455 123.8902952 1 U 1 1 e 0 0 0 0
150 8.10277659 52.37961453 123.8863628 1 U 1 1 e 0 0 0 0
151 8.304261321 53.60498978 120.6596351 1 U 1 1 e 0 0 0 0
152 8.470236398 58.32436338 116.2524865 1 U 1 1 e 0 0 0 0
153 8.467720256 64.13290285 116.2237088 1 U 1 1 e 0 0 0 0
154 8.469679557 63.37419019 116.2340213 1 U 1 1 e 0 0 0 0
155 8.415196892 52.90181369 125.8557122 1 U 1 1 e 0 0 0 0
156 8.413386191 58.30039903 125.96658 1 U 1 1 e 0 0 0 0
157 8.267870076 52.90582584 118.7710192 1 U 1 1 e 0 0 0 0
158 8.267874149 55.8085904 118.7675453 1 U 1 1 e 0 0 0 0
159 8.195704202 54.44693596 121.2679867 1 U 1 1 e 0 0 0 0
160 8.194896012 55.82829556 121.2555784 1 U 1 1 e 0 0 0 0
161 8.194842552 54.47188365 124.4826714 1 U 1 1 e 0 0 0 0
162 8.194814712 52.9816546 124.4853196 1 U 1 1 e 0 0 0 0
163 8.231622328 53.06951182 122.4062108 1 U 1 1 e 0 0 0 0
164 8.233356992 52.98214498 122.4081422 1 U 1 1 e 0 0 0 0
165 8.234926589 53.0190097 107.8061811 1 U 1 1 e 0 0 0 0
166 8.234926589 45.40126873 107.8061811 1 U 1 1 e 0 0 0 0
167 8.121549302 52.83778733 123.6229653 1 U 1 1 e 0 0 0 0
168 8.12119943 45.43293194 123.6288085 1 U 1 1 e 0 0 0 0
169 8.063186598 61.92982494 112.7503271 1 U 1 1 e 0 0 0 0
170 8.065536528 52.88197653 112.8196709 1 U 1 1 e 0 0 0 0
171 8.184469917 52.40335174 126.5005681 1 U 1 1 e 0 0 0 0
172 8.184307086 61.91863429 126.5213349 1 U 1 1 e 0 0 0 0
173 8.275530347 53.85257678 121.6577023 1 U 1 1 e 0 0 0 0
174 8.27590111 52.36116607 121.7092072 1 U 1 1 e 0 0 0 0
175 8.597032891 52.59694574 124.7582033 1 U 1 1 e 0 0 0 0
176 8.597119003 63.22193913 124.7468875 1 U 1 1 e 0 0 0 0
177 8.302842919 52.45247837 120.4614875 1 U 1 1 e 0 0 0 0
178 8.299147863 55.89665344 120.3095201 1 U 1 1 e 0 0 0 0
179 8.419255159 55.96281848 125.5159183 1 U 1 1 e 0 0 0 0
180 8.420059562 55.83852027 125.5966867 1 U 1 1 e 0 0 0 0
181 8.248639136 59.89889256 123.4508671 1 U 1 1 e 0 0 0 0
182 8.248409217 55.84188082 123.4584394 1 U 1 1 e 0 0 0 0
183 8.470664677 56.06610609 120.6596351 1 U 1 1 e 0 0 0 0
184 8.470664677 63.33225902 120.6596351 1 U 1 1 e 0 0 0 0
185 8.435728591 56.00926345 121.5821672 1 U 1 1 e 0 0 0 0
186 8.414945843 55.91518304 121.7738106 1 U 1 1 e 0 0 0 0
187 8.335968894 52.55942847 125.5660534 1 U 1 1 e 0 0 0 0
188 8.336973343 55.87438507 125.6341409 1 U 1 1 e 0 0 0 0
189 8.115798542 60.99079933 120.4575455 1 U 1 1 e 0 0 0 0
190 8.115213842 52.53442947 120.4609895 1 U 1 1 e 0 0 0 0
191 8.271754073 60.99536595 126.8363908 1 U 1 1 e 0 0 0 0
192 8.271129445 54.7755448 126.8214481 1 U 1 1 e 0 0 0 0
193 8.262660482 54.65975391 122.847457 1 U 1 1 e 0 0 0 0
194 8.263573103 52.30537987 123.0057095 1 U 1 1 e 0 0 0 0
195 8.267924797 56.32962511 123.3944125 1 U 1 1 e 0 0 0 0
196 8.430539186 63.38563501 119.9615772 1 U 1 1 e 0 0 0 0
197 8.429063838 56.41769414 119.8392018 1 U 1 1 e 0 0 0 0
198 8.05186357 56.3765706 124.2753886 1 U 1 1 e 0 0 0 0
199 8.054656287 53.0190097 124.2148457 1 U 1 1 e 0 0 0 0
200 8.316230998 63.10849719 124.2017544 1 U 1 1 e 0 0 0 0
201 8.315732482 52.46755178 124.1824031 1 U 1 1 e 0 0 0 0
202 8.088421445 52.53731481 119.5362213 1 U 1 1 e 0 0 0 0
203 8.09001479 62.28637678 119.5362213 1 U 1 1 e 0 0 0 0
204 8.374140458 55.72691595 125.1400637 1 U 1 1 e 0 0 0 0
205 8.373396741 62.2743477 125.1473989 1 U 1 1 e 0 0 0 0
206 8.430075215 54.4179148 123.7536924 1 U 1 1 e 0 0 0 0
207 8.429515395 55.72148878 123.9453793 1 U 1 1 e 0 0 0 0
208 8.358661515 52.26619176 124.3516349 1 U 1 1 e 0 0 0 0
209 8.359106213 62.81733689 124.375829 1 U 1 1 e 0 0 0 0
210 8.276290985 52.00949502 120.5826351 1 U 1 1 e 0 0 0 0
211 8.277094753 52.16789636 120.8628558 1 U 1 1 e 0 0 0 0
212 8.408263418 64.15263113 118.7452909 1 U 1 1 e 0 0 0 0
213 8.408263418 56.8864782 118.7452909 1 U 1 1 e 0 0 0 0
214 7.915986824 53.0190097 123.6678902 1 U 1 1 e 0 0 0 0
215 7.915986824 56.8864782 123.6678902 1 U 1 1 e 0 0 0 0
216 8.047722814 53.0190097 118.7452909 1 U 1 1 e 0 0 0 0
217 8.040789341 56.30049812 118.7452909 1 U 1 1 e 0 0 0 0
218 8.096257126 56.41769414 121.753546 1 U 1 1 e 0 0 0 0
219 8.063643483 62.410512 121.7669638 1 U 1 1 e 0 0 0 0
220 8.063219068 56.50573337 121.7454741 1 U 1 1 e 0 0 0 0
221 8.264581963 62.35168197 125.1908754 1 U 1 1 e 0 0 0 0
222 8.263644849 62.42486201 125.3311598 1 U 1 1 e 0 0 0 0
223 8.456797731 62.27749489 125.5822345 1 U 1 1 e 0 0 0 0
224 8.456797731 55.83171406 125.5822345 1 U 1 1 e 0 0 0 0
225 8.318128267 44.58089662 110.5409585 1 U 1 1 e 0 0 0 0
226 8.318128267 55.83171406 110.5409585 1 U 1 1 e 0 0 0 0
227 8.45651208 58.55848156 115.9378436 1 U 1 1 e 0 0 0 0
228 8.185032868 45.203263 123.855 1 U 1 1 e 0 0 0 0
229 8.378637997 56.03237254 119.9302184 1 U 1 1 e 0 0 0 0
230 8.404015142 56.1027052 117.30648 1 U 1 1 e 0 0 0 0
231 8.401329945 58.29283038 117.3779021 1 U 1 1 e 0 0 0 0
232 8.253823234 61.97201801 115.4638297 1 U 1 1 e 0 0 0 0
233 8.247390988 58.22687116 115.4638297 1 U 1 1 e 0 0 0 0
234 8.253397383 69.80504905 115.4716219 1 U 1 1 e 0 0 0 0
235 8.394396472 61.92590684 110.8144363 1 U 1 1 e 0 0 0 0
236 8.401329945 45.1668767 110.8144363 1 U 1 1 e 0 0 0 0
237 8.221059643 53.72218579 120.9331128 1 U 1 1 e 0 0 0 0
238 8.221059643 45.1668767 120.9331128 1 U 1 1 e 0 0 0 0
239 8.336195795 50.47010613 126.7548956 1 U 1 1 e 0 0 0 0
240 8.335791979 55.85420367 126.7910769 1 U 1 1 e 0 0 0 0
241 8.505332043 56.53489015 122.847457 1 U 1 1 e 0 0 0 0
242 8.516420271 56.5261857 121.7367279 1 U 1 1 e 0 0 0 0
243 8.516565064 63.06062858 121.7476823 1 U 1 1 e 0 0 0 0
244 8.47759815 45.1668767 110.5409585 1 U 1 1 e 0 0 0 0
245 8.484531623 56.53489015 110.5409585 1 U 1 1 e 0 0 0 0
246 8.234926589 58.41002639 115.7370357 1 U 1 1 e 0 0 0 0
247 8.234926589 45.28407271 115.7370357 1 U 1 1 e 0 0 0 0
248 8.336212529 55.71219743 123.0639929 1 U 1 1 e 0 0 0 0
249 8.330560538 58.4189873 122.7941028 1 U 1 1 e 0 0 0 0
250 8.439043657 56.39681498 123.9453793 1 U 1 1 e 0 0 0 0
251 8.440192791 56.28640887 123.9050381 1 U 1 1 e 0 0 0 0
252 8.026922395 56.41769414 127.7700564 1 U 1 1 e 0 0 0 0
253 8.026922395 57.94124233 127.7700564 1 U 1 1 e 0 0 0 0
254 8.726687279 56.38472399 120.7529842 1 U 1 1 e 0 0 0 0
255 8.726353002 63.4201519 120.7571615 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 3
2 . . N 15 15N . 'not observed' 2838.611 Hz . . . . . . 52649 3
3 . . C 13 13C . 'not observed' 6037.389 Hz . . . . . . 52649 3
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 3
2 $software_2 . . 52649 3
stop_
save_