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 54000
_Spectral_peak_list.ID 3
_Spectral_peak_list.Name 'TZP TOCSY'
_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 '2D 1H-1H TOCSY'
_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 TOCSY_60ms_peaks.txt
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
# Observed peak coordinates from existing CCPN export: spectrum tocsy_60ms, peak list 1.
# Height: original arbitrary units; not integrated volume. No atom assignments asserted.
peak_id H1_ppm H2_ppm height_au
2 8.682579557931085 2.3809844897058103 13799593984.0
3 8.682564578945282 2.1732494871220935 14558620672.0
4 8.682531444172744 1.9336655037082005 28795207680.0
5 8.682631901267413 1.8483992800747329 17024396288.0
6 7.4692043750264325 2.1672205099809756 171003363328.0
7 7.4691780371303125 1.992413196842457 91599757312.0
8 7.469164637310092 1.8118217788116038 149946040320.0
9 7.89232169730411 4.638357373937961 10403919872.0
10 8.089939697097535 4.630138860631769 9449286656.0
11 8.223743403366148 3.9048145017390983 66571403264.0
12 8.22377691676903 3.806002657497364 64009912320.0
14 8.265978729375739 4.498848581082817 67179569152.0
18 8.266477212384599 1.2227556066270773 4911975424.0
19 8.265647573274247 1.1971636769283722 13930846208.0
22 7.6731914543587045 0.966908242479211 90674905088.0
23 7.830498828543069 1.1007741226207672 27077455872.0
24 7.699242323282542 1.2138296271406617 47103164416.0
25 7.81959611988311 1.246339745034525 42367410176.0
26 7.860470576289002 1.2407262096490568 32811612160.0
27 7.892410532294198 1.3074336083970874 142624505856.0
28 7.852810819786727 1.2735771998993073 11827617792.0
29 7.738568544628159 1.482875825750006 19720691712.0
30 8.089882847136623 3.112732141538162 21928183808.0
31 8.089893116330341 2.94667970391014 24794552320.0
32 8.119374729404756 4.256478150766616 29670453248.0
33 8.119440158575166 3.7700356376370894 48926167040.0
34 8.098316680477817 4.344314819617334 28323889152.0
35 8.08655613859921 3.7661183027026643 14886735872.0
36 7.978589638304367 4.007197065613868 16699628544.0
37 7.970428402072584 4.299438302234213 33831442432.0
38 7.938950328912572 4.29023390708275 36750897152.0
39 7.95895823215106 4.245756964766018 48264605696.0
40 7.854895357601725 4.259696811132706 464747331584.0
41 7.831115922124613 4.262759884440814 109576404992.0
42 7.809394849331252 4.369107302512535 46130216960.0
43 7.830270759170158 4.165213842995887 22811052032.0
44 7.673269032022224 4.203132847728676 308287242240.0
45 7.6732518782206665 4.0232211034873115 74638925824.0
46 7.469218532107343 4.0924976938167585 514835808256.0
47 7.841381945968631 3.939473670055893 18498775040.0
48 7.971177501429591 3.799854596495631 35664384000.0
49 7.939048855915977 3.794170971785183 33502300160.0
50 7.854975631852085 3.7615728154101866 290274770944.0
51 7.970513937899492 3.7527248245397375 30804066304.0
52 7.938951945017699 3.743023964202102 31971065856.0
53 7.8549399113113445 3.7037603115208224 285661888512.0
66 7.840933184165533 3.526314077636478 1046281125888.0
67 7.8091452834514365 3.4922209593751643 931234381824.0
68 7.84105011918351 3.3643867668138956 1042263900160.0
70 7.738693892050501 3.152361960929781 69979045888.0
71 7.738640052662568 3.128539358130377 69843288064.0
72 7.327531254937469 6.903769166787419 527453487104.0
73 7.232239444654556 7.081170003124397 86587506688.0
74 7.205220200921412 7.082462213078973 114039709696.0
75 7.21011421282805 7.166260100735264 1500883976192.0
76 7.061083370123923 6.778005084839811 3486629232640.0
77 6.942967646520004 6.676141586227049 843012177920.0
78 8.097885791643058 1.1006951389457869 3263004416.0
79 8.090125080516607 0.9667043338779435 3325039360.0
80 7.588350543420128 1.3770521677256853 6546118144.0
81 7.738600465013132 1.3541232745243774 4979326464.0
82 7.809305980864701 2.1690414818283186 6192510464.0
83 7.986097536334061 4.31828228886924 8195547648.0
84 8.019439204959768 4.309381490609418 8324260352.0
85 7.966804344044206 4.407693764434416 3742446336.0
86 7.938031217604967 4.390187536522598 4293808128.0
87 8.19177066813154 4.35819450185324 12707623936.0
88 8.197157332370614 4.44330008117404 7729751552.0
89 8.332574891607905 4.4388740748422935 4716168192.0
90 7.698959264778338 4.412119089693287 9592527872.0
91 7.588284801417938 4.173058533870882 3347444224.0
92 7.738958076755547 3.912511243961557 3794594304.0
93 7.809055814717267 3.830330866866153 7786061312.0
94 7.80929708480835 3.8057599067687993 8128355840.0
96 7.959215511469774 3.6652209786875147 2428925952.0
97 7.165481935103992 3.113541237643633 3022919680.0
98 7.0612961072766245 3.029561442925832 5005795328.0
99 7.165236859687707 2.9450508361704753 3688476416.0
100 7.060646276022659 2.9397976079599015 6325477888.0
101 6.954994608523355 3.491044505259003 7525308928.0
102 6.954835980879014 3.2823520342668626 6761772544.0
103 7.06132816156745 1.222320311019947 5762037760.0
104 7.208170576292876 1.133658465817748 3451885056.0
105 6.7785055348331 1.2233760570898413 3122195968.0
106 8.3329187295172 3.8416113175894213 3253900288.0
107 8.333159815462544 3.794702397942687 3637875200.0
108 8.052723328699361 3.928193678768225 4309133824.0
109 8.266066467723064 4.11680130491116 2705033472.0
110 6.76038654911892 3.875232547006095 2764785408.0
112 7.0608795861936215 4.116591099271703 3586486528.0
114 6.778667484727837 3.028809520002297 2384488448.0
115 6.675508236890271 2.953051581619578 3018098688.0
116 6.778174177872826 2.940080398652399 3688530944.0
117 6.675818482900148 2.8700763763182495 2655630848.0
118 7.758116714441281 0.8504634261267436 1313062272.0
119 7.759367963057063 0.8058972517198071 460740576.0
120 8.317281723022461 3.7755508422851562 -35253036.0
121 8.310673713684082 3.9698247909545894 178204.609375
128 8.68264499171894 3.9499109641037853 127322226688.0
129 8.099327333174417 3.854238108554121 7253837312.0
130 8.099194526672363 3.756663799285889 7020767744.0
131 8.197686497135301 2.495859811712243 863814656.0
132 8.196176747309895 2.579902051577775 743638208.0
133 8.042459487915039 4.305678367614746 3378383616.0
134 6.942545723028436 2.9514307897881036 1750427136.0
135 6.94267988284116 2.8703182472289406 1317723648.0
137 8.041097640991211 2.8686914443969727 245752000.0
138 8.04159164428711 2.953833818435669 749713152.0
139 4.173409287509375 1.3761680058458046 145963057152.0
140 4.263007813390626 1.100906146866003 157977853952.0
141 4.165460774577964 1.1009017879996046 650336862208.0
142 4.202977676194201 0.9670103410749453 362173005824.0
143 4.023326406542258 0.967024451981422 1071726592000.0
144 4.092540532099839 2.168360879932742 273853235200.0
145 4.27882917321142 2.146833149876203 107960672256.0
146 4.092637442998118 1.992737359826195 200137293824.0
147 4.278865484784894 1.844067120967689 121823485952.0
148 4.092533846042059 1.8117117359048116 235004657664.0
149 3.949695239418939 2.380833370024143 85098086400.0
150 3.949863374378868 2.173206230914019 104074838016.0
151 3.949889130477143 1.9339477957168296 74598277120.0
152 3.949872276809394 1.8481453576372404 61566410752.0
153 4.116934521564725 3.0279873657674026 128189702144.0
154 4.116832970136013 2.941385269636281 141573799936.0
155 4.259427610683581 3.7623820315691816 573756145664.0
156 4.259693228527566 3.7034791646381113 544640303104.0
157 3.9396613321368124 3.5272812992393403 62400561152.0
158 3.9396687385157354 3.367171751141064 74755923968.0
159 4.34446873742321 3.8529887623249452 24526624768.0
160 4.3444003351965454 3.755843177878062 26233397248.0
161 4.692084539483721 4.317648644062478 18515175424.0
162 4.629864293559263 3.11279880010283 36094689280.0
163 4.629827430201325 2.9465100128718458 40696451072.0
164 4.638103751587895 1.307560419548929 279542824960.0
165 4.412626595139814 1.2140250304115194 42561863680.0
166 4.547439078845899 1.2407092948001854 51934363648.0
167 4.512173591751313 1.246171727819398 76492177408.0
168 4.368057809568737 3.8336897636002436 37412261888.0
169 4.368838067432585 3.804164767338067 30999668736.0
170 4.438295145825522 3.7946997925503507 12594227200.0
171 4.438890263551837 3.839274170999526 15260176384.0
172 4.278740557549885 3.3842422401712025 13749713920.0
173 4.278830073612848 3.2324669323585127 13949114368.0
174 4.202968836099158 4.023350403441048 102844661760.0
175 4.2630200069038064 4.1653034502533535 52849766400.0
176 8.085528741321959 4.305527114513283 8715965440.0
177 8.274601703003245 3.6270002494363105 594290240.0
178 8.272792161636591 0.8283523906294148 776634432.0
180 8.27603243856311 0.7390422563992853 239429184.0
182 8.274728810825815 1.3762548218588453 299104928.0
183 8.27543685303208 1.1317711540093187 500536288.0
184 8.266431947588725 1.865382226998885 235853072.0
185 1.860185448139641 0.8273296996811639 14752915456.0
186 7.978666305541992 3.7879812717437744 19408992256.0
187 8.166900040781664 3.8425802626529655 9293277184.0
188 8.166915795497928 3.88865380832487 9155356672.0
189 8.191510812856691 3.8371888805412833 4423284224.0
190 8.191596430066037 3.7481393952090554 3762234368.0
191 8.165575639167328 3.767460385661448 7773713920.0
192 8.165764553776102 4.256756459076108 3068552192.0
193 8.176917286019936 1.4300999665883118 1085702784.0
197 7.809438228607178 3.2875211238861084 391409827840.0
198 7.809438228607178 3.2693891525268555 392051818496.0
199 4.335882054590682 3.6479702131305034 8261607424.0
200 4.344670747100953 3.588764310327143 7451354624.0
201 4.335858427133731 3.506866216005482 8571546112.0
202 4.344443431814239 2.21107247904931 17444052992.0
203 4.33640083357121 2.1920295891214656 18041812992.0
204 4.344765319264241 1.9592554848458672 16215647232.0
205 4.335628843239445 1.9239133897508354 15747673088.0
206 4.340912722038105 1.8678158135078498 17061193728.0
207 8.292442321777344 4.070335388183594 278402080.0
208 7.570796966552734 3.6247448921203613 47705460.0
209 7.983895778656006 1.9256377220153809 -40174004.0
211 7.974287986755371 3.836103916168213 2870920704.0
212 7.974697113037109 3.6597628593444824 657927040.0
213 4.245486359459794 3.6658760022563803 14798451712.0
214 4.245910864102122 3.835503184773563 17408509952.0
220 4.300004482269287 3.7527294158935542 48890486784.0
221 4.290421485900879 3.74280571937561 47552942080.0
222 4.300004482269287 3.8008604049682613 49382633472.0
223 4.290421485900879 3.794409990310669 48368078848.0
224 7.761397838592529 1.3979145288467407 1752225664.0
225 7.761397838592529 1.372190237045288 902428608.0
227 4.0569408921831105 3.857797873303119 2332776960.0
228 4.057523250579834 3.787771463394165 2606730752.0
229 7.760032653808594 3.898808002471924 222592064.0
231 7.210254192352295 7.124290943145752 28901670912.0
232 7.2102349843641615 2.945553768085875 2029483264.0
233 7.210004003693302 3.1168276335930223 1945088896.0
240 7.327391962836606 3.7656303878669726 -1431945856.0
241 7.3272726157817285 3.7048698461867735 -2859912704.0
242 8.325616836547852 1.4367061853408818 1142900608.0
243 3.7234930992126465 3.558049201965332 15175672832.0
244 4.007300853729248 3.788669109344482 14493169664.0
245 7.957301616668701 3.8389229774475098 3926269440.0
249 3.8035561721143853 0.8501706409783991 9849013248.0
250 3.802925708726001 1.8362507731135316 2672186880.0
251 1.838960782525822 0.8502600069744575 13984073728.0
252 4.370398070624083 1.9065764742469673 13774000128.0
253 4.370580314181767 2.26660167342799 14770276352.0
254 2.1321050805097332 1.4519890508249955 312464605184.0
255 2.109250761325132 1.4235311249122073 971834195968.0
256 2.1313633598269903 1.156487211293082 298645061632.0
257 2.109719514925826 1.14015956729311 751936864256.0
258 1.451694541015227 1.156688831951234 453808160768.0
259 1.4235609466228545 1.139070363229652 879804940288.0
260 7.469388961791992 1.1386742591857915 990839936.0
264 7.219155418301272 6.6144725902981945 15390835712.0
265 7.214616935670157 6.889865920584406 13341720576.0
266 7.3659471935269165 6.94800815378531 50343493632.0
267 7.361024634277577 6.941616838948641 51972169728.0
268 8.10940996602611 0.8648294486502035 461764928.0
269 8.107934951782227 0.7569108009338374 195461552.0
270 7.396150240547291 6.952204987175216 14184363008.0
273 4.764850187654155 3.4999518164224845 4427437056.0
274 4.764796648400033 3.407318794589207 4037774336.0
275 3.3840649268421332 3.231685628643776 10931841024.0
276 4.580751419067383 3.7210981845855717 6326879232.0
277 4.764737785233878 2.3031457374760493 9350211584.0
278 4.764836776290326 2.045577883971448 8077574656.0
279 4.7653496980441306 1.8397836481819447 3800849920.0
280 4.765058750638187 1.782953634625807 5096283136.0
281 8.08550837377992 3.8124648454699988 7747881984.0
282 8.087575035163496 3.8905089723392487 6438797824.0
283 7.965879440307617 7.927065849304199 1850839168.0
284 7.926928997039795 7.761651515960693 -109625256.0
285 7.965879440307617 7.761651515960693 88863392.0
286 7.955860614776611 7.89063835144043 436550912.0
;
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 H . 'not observed' 9.9159 ppm . . . . . . 54000 3
2 . . H 1 H . 'not observed' 9.9159 ppm . . . . . . 54000 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 . . 54000 3
stop_
save_