L-Isoleucine

Simulation outputs:

	Parameter	Value
	Field strength	600.13(MHz)
	RMSD of the fit	0.01197
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
	Note 1	Copied from spin matrix of bmse000041, just had to fix the chemical shift.
	Note 2	Oscar Li

Sample description:

Compound	Type	Concentration
L-Isoleucine	Solute	100mM
D2O	Solvent	100%
sodium phosphate	Buffer	50mM
sodium azide	Cytocide	500uM
DSS	Reference	1%

Show/Hide Spin System Matrix

Spin System Matrix

	10	11	12	16	17	18	13	14	15	19
10	0.93	-12.5	0	0	0	0	0	0	0	0
11	0	0.93	-12.5	0	0	0	0	0	0	0
12	0	0	0.93	0	0	0	0	0	0	0
16	0	0	0	1.46	-13.65	4.704	0	0	0	0
17	0	0	0	0	1.253	9.29	0	0	0	0
18	0	0	0	0	0	1.974	0	0	0	4.057
13	0	0	0	0	0	0	1.002	-12.5	-12.5	0
14	0	0	0	0	0	0	0	1.002	-12.5	0
15	0	0	0	0	0	0	0	0	1.002	0
19	0	0	0	0	0	0	0	0	0	3.66

Spectra

Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale

PPM	Amplitude	Peak Type
0.918111	0.505569	standard
0.930459	0.998962	standard
0.942808	0.506013	standard
0.995959	1.0009	standard
1.00779	1.00069	standard
1.21456	0.0189667	standard
1.22692	0.0573065	standard
1.22985	0.0282271	standard
1.23924	0.0693182	standard
1.24232	0.0663067	standard
1.24979	0.0804828	standard
1.25286	0.0594434	standard
1.25461	0.0713081	standard
1.26213	0.0791495	standard
1.26518	0.084952	standard
1.27462	0.034397	standard
1.27752	0.0730814	standard
1.28988	0.0241135	standard
1.42722	0.0243898	standard
1.43511	0.0292881	standard
1.43956	0.0720867	standard
1.44744	0.0790006	standard
1.45185	0.081409	standard
1.45978	0.0883419	standard
1.4622	0.0784861	standard
1.47019	0.0685945	standard
1.47456	0.0655315	standard
1.48246	0.0582648	standard
1.4869	0.0237558	standard
1.4948	0.0197171	standard
1.941	0.0127115	standard
1.94844	0.0226604	standard
1.95285	0.0402397	standard
1.95608	0.0315269	standard
1.96018	0.0639817	standard
1.96455	0.0639037	standard
1.96783	0.0730635	standard
1.97169	0.0782611	standard
1.97583	0.0770422	standard
1.97964	0.0729544	standard
1.98297	0.0631067	standard
1.98732	0.0623076	standard
1.9914	0.0312723	standard
1.99465	0.0391191	standard
1.99904	0.0220354	standard
2.0065	0.0123689	standard
3.6563	0.350477	standard
3.66314	0.350474	standard
0.745305	0.31524	standard
0.921582	1.0	standard
1.0928	0.758664	standard
1.22713	0.087	standard
1.32904	0.141172	standard
1.41345	0.0733373	standard
1.51316	0.140422	standard
1.60002	0.0466563	standard
1.69241	0.077894	standard
1.78718	0.0481401	standard
1.86727	0.051035	standard
1.90997	0.0480553	standard
1.96557	0.051695	standard
2.03267	0.0334351	standard
2.08732	0.0442534	standard
2.13483	0.0303791	standard
2.18244	0.0285471	standard
2.26506	0.0172151	standard
2.30488	0.016512	standard
2.36147	0.00968513	standard
2.48287	0.00559312	standard
3.34937	0.00265312	standard
3.61242	0.242607	standard
3.70997	0.233007	standard
4.00915	0.00128613	standard
0.806993	0.321842	standard
0.936872	1.0	standard
1.05905	0.888675	standard
1.17011	0.0855772	standard
1.19449	0.055626	standard
1.25144	0.045012	standard
1.29388	0.118636	standard
1.31963	0.104492	standard
1.37419	0.0913963	standard
1.4171	0.0923216	standard
1.44291	0.0984332	standard
1.49723	0.0869851	standard
1.53862	0.0354541	standard
1.56629	0.0367014	standard
1.62065	0.0348124	standard
1.72455	0.025056	standard
1.77571	0.035755	standard
1.80722	0.0238844	standard
1.84544	0.04477	standard
1.89477	0.0450561	standard
1.92552	0.0495201	standard
1.96274	0.0506113	standard
2.00678	0.0384001	standard
2.04382	0.047951	standard
2.07641	0.0341462	standard
2.11008	0.032157	standard
2.16206	0.019191	standard
2.19146	0.0193064	standard
2.22886	0.0111581	standard
2.30989	0.00633313	standard
3.45302	0.00232913	standard
3.62721	0.250059	standard
3.69355	0.243518	standard
3.88735	0.00135113	standard
0.837837	0.459833	standard
0.930777	0.996171	standard
0.957222	1.0	standard
1.02413	0.606488	standard
1.04602	0.97309	standard
1.10609	0.0616471	standard
1.12005	0.0499381	standard
1.14204	0.042094	standard
1.20003	0.0865092	standard
1.22031	0.0695632	standard
1.23362	0.0696879	standard
1.29466	0.127126	standard
1.3133	0.147086	standard
1.32461	0.125188	standard
1.38916	0.15314	standard
1.40499	0.15703	standard
1.48156	0.118296	standard
1.49504	0.087467	standard
1.57345	0.0455673	standard
1.6509	0.0226164	standard
1.68234	0.0112763	standard
1.73555	0.018695	standard
1.78807	0.0222371	standard
1.79283	0.0222971	standard
1.82309	0.0446691	standard
1.84667	0.0324781	standard
1.87582	0.059213	standard
1.91173	0.0629922	standard
1.93535	0.0721156	standard
1.96351	0.0723331	standard
1.98625	0.0610745	standard
1.99622	0.059309	standard
2.02405	0.0706459	standard
2.0489	0.0514581	standard
2.07568	0.048586	standard
2.11269	0.0286021	standard
2.13564	0.0297282	standard
2.16444	0.017068	standard
2.22449	0.00963725	standard
3.50588	0.00311412	standard
3.63501	0.355081	standard
3.68514	0.347875	standard
3.82804	0.00194613	standard
0.848126	0.475381	standard
0.930582	0.988024	standard
0.962342	1.00003	standard
1.01307	0.563333	standard
1.04124	0.973602	standard
1.1264	0.0472439	standard
1.13897	0.0434481	standard
1.15773	0.0399893	standard
1.20867	0.0861941	standard
1.22602	0.0641681	standard
1.25716	0.0459201	standard
1.29196	0.1002	standard
1.30981	0.151318	standard
1.33975	0.095404	standard
1.39285	0.203748	standard
1.42208	0.0966111	standard
1.47588	0.139258	standard
1.50271	0.0464304	standard
1.54814	0.0390131	standard
1.55843	0.0465762	standard
1.57172	0.0353171	standard
1.62752	0.0256361	standard
1.65546	0.0117211	standard
1.70987	0.010002	standard
1.76004	0.015156	standard
1.81198	0.0226231	standard
1.83915	0.0451114	standard
1.86023	0.03326	standard
1.88644	0.0612551	standard
1.91785	0.0646501	standard
1.93904	0.0746979	standard
1.96415	0.0749342	standard
1.98545	0.0638576	standard
1.99279	0.0630584	standard
2.01788	0.0733643	standard
2.03999	0.0540984	standard
2.06453	0.0513952	standard
2.09666	0.0298422	standard
2.11722	0.031488	standard
2.14336	0.0181082	standard
2.19619	0.010169	standard
3.63768	0.365163	standard
3.68235	0.358467	standard
3.809	0.00201712	standard
0.856358	0.482909	standard
0.930519	0.984743	standard
0.966347	1.00001	standard
1.00462	0.562537	standard
1.03733	0.972716	standard
1.07602	0.0658754	standard
1.14148	0.042615	standard
1.1526	0.0421313	standard
1.16958	0.0401901	standard
1.21515	0.085654	standard
1.23106	0.0624174	standard
1.2896	0.0995464	standard
1.30599	0.121875	standard
1.32269	0.0647924	standard
1.35064	0.0967311	standard
1.36217	0.0684444	standard
1.3802	0.122836	standard
1.39878	0.120195	standard
1.4244	0.093512	standard
1.45612	0.0606992	standard
1.47295	0.112452	standard
1.49693	0.045465	standard
1.53674	0.0412435	standard
1.5467	0.046945	standard
1.55937	0.0371002	standard
1.60899	0.028306	standard
1.6344	0.012417	standard
1.68301	0.0102941	standard
1.78097	0.014739	standard
1.82745	0.0227543	standard
1.85215	0.0450136	standard
1.87114	0.033564	standard
1.89496	0.06213	standard
1.92291	0.0652751	standard
1.94204	0.0759135	standard
1.96468	0.076136	standard
1.98446	0.0654096	standard
1.99041	0.0651655	standard
2.01299	0.0746982	standard
2.03295	0.0556624	standard
2.05538	0.0529596	standard
2.08387	0.0304971	standard
2.10253	0.0325781	standard
2.12627	0.018696	standard
2.17361	0.0104915	standard
3.63984	0.369133	standard
3.6801	0.362391	standard
0.893407	0.493914	standard
0.930461	0.977476	standard
0.967587	0.540946	standard
0.984108	1.00001	standard
1.01962	0.976965	standard
1.1339	0.0155721	standard
1.17105	0.0415675	standard
1.17959	0.0224296	standard
1.20802	0.0520069	standard
1.21699	0.051711	standard
1.23934	0.081808	standard
1.24798	0.0584494	standard
1.25365	0.0593149	standard
1.27649	0.0845784	standard
1.28531	0.0964172	standard
1.31414	0.0389907	standard
1.32235	0.085829	standard
1.36041	0.0399143	standard
1.38803	0.0346099	standard
1.40109	0.0764174	standard
1.42499	0.0901158	standard
1.43806	0.0840371	standard
1.46198	0.0957653	standard
1.46885	0.0650722	standard
1.49346	0.0549938	standard
1.49838	0.0483964	standard
1.50615	0.0491364	standard
1.5301	0.0437309	standard
1.54328	0.0174622	standard
1.56712	0.0148992	standard
1.87631	0.0135182	standard
1.8988	0.0229751	standard
1.91188	0.0426427	standard
1.92152	0.032754	standard
1.93383	0.064491	standard
1.94711	0.0648722	standard
1.95688	0.0753375	standard
1.96841	0.0783118	standard
1.98091	0.0724598	standard
1.99233	0.0743746	standard
2.00236	0.059956	standard
2.01471	0.0581922	standard
2.02774	0.0310712	standard
2.03731	0.035823	standard
2.05001	0.0206356	standard
2.07286	0.0114087	standard
3.64967	0.361394	standard
3.66987	0.361394	standard
0.905757	0.504873	standard
0.93046	0.997656	standard
0.955163	0.510052	standard
0.990042	1.00013	standard
1.0137	0.997642	standard
1.17488	0.0165928	standard
1.19963	0.0487516	standard
1.20541	0.0251892	standard
1.22429	0.0602334	standard
1.23035	0.0594116	standard
1.24524	0.0820909	standard
1.25108	0.0594746	standard
1.25487	0.0657983	standard
1.26997	0.0830641	standard
1.27594	0.091723	standard
1.295	0.0370548	standard
1.30063	0.0802262	standard
1.32536	0.0266533	standard
1.39509	0.0254826	standard
1.411	0.031987	standard
1.41978	0.0744581	standard
1.43564	0.0856481	standard
1.4444	0.0831385	standard
1.46032	0.0931141	standard
1.46511	0.0711074	standard
1.48125	0.0622982	standard
1.48988	0.0565829	standard
1.50574	0.0513371	standard
1.5146	0.0203836	standard
1.53042	0.0173959	standard
1.90856	0.013307	standard
1.92353	0.0230223	standard
1.93227	0.0421211	standard
1.93871	0.0325895	standard
1.94693	0.0648092	standard
1.95572	0.0652385	standard
1.96226	0.0752407	standard
1.96995	0.0789617	standard
1.97824	0.0753323	standard
1.98589	0.0746045	standard
1.99256	0.0617625	standard
2.001	0.0607663	standard
2.00947	0.0314697	standard
2.01588	0.037448	standard
2.02452	0.0215099	standard
2.03958	0.0118849	standard
3.65304	0.361138	standard
3.6665	0.361138	standard
0.911933	0.505686	standard
0.930459	0.999103	standard
0.948986	0.507417	standard
0.993	1.00061	standard
1.01075	0.999787	standard
1.19487	0.017629	standard
1.21342	0.0526665	standard
1.21784	0.0266272	standard
1.23192	0.0642412	standard
1.23654	0.0630912	standard
1.24761	0.0812078	standard
1.25208	0.0592094	standard
1.25496	0.0685996	standard
1.26614	0.0812225	standard
1.27071	0.0883161	standard
1.28489	0.0356618	standard
1.28922	0.0767765	standard
1.30777	0.0253952	standard
1.411	0.0247426	standard
1.42291	0.0307143	standard
1.42952	0.0727789	standard
1.44139	0.0827174	standard
1.44798	0.0818568	standard
1.4599	0.0911342	standard
1.46352	0.0747324	standard
1.47559	0.065313	standard
1.48207	0.0609971	standard
1.49398	0.0545148	standard
1.5006	0.0220179	standard
1.51249	0.0184803	standard
1.92478	0.0130732	standard
1.93598	0.022844	standard
1.94256	0.041428	standard
1.94735	0.0323677	standard
1.95355	0.0643747	standard
1.96012	0.0647395	standard
1.96502	0.0749871	standard
1.97082	0.078664	standard
1.97695	0.0767791	standard
1.98274	0.0744603	standard
1.98781	0.0620932	standard
1.9942	0.0623399	standard
2.00042	0.0314651	standard
2.00532	0.0377928	standard
2.01184	0.0220375	standard
2.02309	0.011998	standard
3.65467	0.356735	standard
3.66482	0.356992	standard
0.915638	0.505433	standard
0.930459	0.998632	standard
0.945281	0.506239	standard
0.994775	1.00084	standard
1.00897	1.00046	standard
1.20677	0.0182637	standard
1.22162	0.0549211	standard
1.22512	0.0276012	standard
1.23642	0.0665671	standard
1.24009	0.0652477	standard
1.24895	0.0803928	standard
1.25245	0.059372	standard
1.25484	0.0700987	standard
1.26377	0.0799924	standard
1.26741	0.0860589	standard
1.27877	0.0349602	standard
1.28222	0.0744271	standard
1.29706	0.0245673	standard
1.42073	0.0247575	standard
1.43022	0.0297743	standard
1.43554	0.0731181	standard
1.44502	0.0800844	standard
1.4503	0.0823619	standard
1.45984	0.0890729	standard
1.46274	0.0773444	standard
1.47234	0.0671109	standard
1.47757	0.0640322	standard
1.48707	0.0566462	standard
1.49238	0.023169	standard
1.50188	0.0191793	standard
1.93447	0.0127971	standard
1.94342	0.0230133	standard
1.94869	0.0405101	standard
1.95257	0.031976	standard
1.95752	0.0649698	standard
1.96273	0.0641632	standard
1.96669	0.0743646	standard
1.97136	0.0790335	standard
1.97626	0.0770878	standard
1.98087	0.0742404	standard
1.98489	0.0628964	standard
1.99007	0.062352	standard
1.99501	0.0315941	standard
1.9989	0.0387646	standard
2.00415	0.022057	standard
2.01312	0.0122821	standard
3.65571	0.352736	standard
3.66373	0.35273	standard
0.918108	0.506096	standard
0.930459	1.0	standard
0.94281	0.506541	standard
0.995958	1.00038	standard
1.00779	1.00017	standard
1.21455	0.0189713	standard
1.22692	0.0573249	standard
1.22985	0.0282487	standard
1.23924	0.0693251	standard
1.24232	0.066336	standard
1.24979	0.0804892	standard
1.25284	0.0594737	standard
1.25461	0.0713014	standard
1.26213	0.0791892	standard
1.26518	0.084973	standard
1.27462	0.0344262	standard
1.27752	0.0731078	standard
1.28988	0.0241202	standard
1.42721	0.0243972	standard
1.43511	0.0292934	standard
1.43956	0.0721061	standard
1.44744	0.0790277	standard
1.45185	0.0814123	standard
1.45979	0.0883716	standard
1.4622	0.0785135	standard
1.47018	0.0685883	standard
1.47456	0.0655539	standard
1.48246	0.0582784	standard
1.48691	0.0237596	standard
1.4948	0.0197222	standard
1.94099	0.0127153	standard
1.94844	0.0226666	standard
1.95284	0.040256	standard
1.95608	0.0315387	standard
1.96017	0.0640052	standard
1.96455	0.0638987	standard
1.96783	0.0730912	standard
1.97169	0.0782639	standard
1.97583	0.0770426	standard
1.97964	0.0729819	standard
1.98297	0.0631004	standard
1.98732	0.0623311	standard
1.9914	0.0312833	standard
1.99465	0.0391343	standard
1.99905	0.0220411	standard
2.00651	0.0123725	standard
3.6563	0.350575	standard
3.66314	0.350572	standard
0.919873	0.505497	standard
0.930459	0.998852	standard
0.941046	0.50577	standard
0.996803	1.00012	standard
1.00694	0.999996	standard
1.22017	0.0196222	standard
1.23078	0.0594552	standard
1.23319	0.0292263	standard
1.24135	0.0713364	standard
1.2439	0.0678334	standard
1.25026	0.0810808	standard
1.25281	0.0601141	standard
1.25445	0.0719983	standard
1.26083	0.0797799	standard
1.26348	0.0830894	standard
1.27153	0.0341674	standard
1.27406	0.0711946	standard
1.28466	0.0235214	standard
1.43184	0.0240094	standard
1.43864	0.0288823	standard
1.44242	0.0710103	standard
1.44921	0.0778031	standard
1.45296	0.0807012	standard
1.45979	0.0873997	standard
1.46192	0.0788895	standard
1.46878	0.0697295	standard
1.4725	0.0661744	standard
1.4793	0.0591095	standard
1.48308	0.0241119	standard
1.48987	0.0199913	standard
1.94561	0.012504	standard
1.95203	0.0227086	standard
1.95577	0.0394728	standard
1.9586	0.0317976	standard
1.9621	0.064118	standard
1.96579	0.0638416	standard
1.96869	0.0745334	standard
1.972	0.0781913	standard
1.9755	0.0788302	standard
1.97882	0.0746924	standard
1.98162	0.0633258	standard
1.98541	0.0640341	standard
1.98891	0.0320171	standard
1.99163	0.0396602	standard
1.99548	0.0226013	standard
2.00179	0.0125298	standard
3.6568	0.347347	standard
3.66264	0.347347	standard
0.920578	0.506011	standard
0.930459	0.999907	standard
0.94034	0.50623	standard
0.997141	1.00083	standard
1.00661	1.00072	standard
1.22232	0.0197776	standard
1.23222	0.059804	standard
1.23458	0.0289645	standard
1.24208	0.0720074	standard
1.24456	0.0679402	standard
1.25052	0.0814896	standard
1.25298	0.0594608	standard
1.2544	0.0724362	standard
1.26038	0.0795895	standard
1.26284	0.0829797	standard
1.27036	0.034099	standard
1.27272	0.0709628	standard
1.28261	0.0234338	standard
1.43379	0.0239403	standard
1.44009	0.0286797	standard
1.44367	0.0707877	standard
1.44995	0.0776153	standard
1.4535	0.0800656	standard
1.45983	0.0872666	standard
1.46177	0.0793105	standard
1.46813	0.0697312	standard
1.47165	0.0667694	standard
1.47795	0.0596521	standard
1.48153	0.0242336	standard
1.48782	0.02018	standard
1.94752	0.012506	standard
1.95346	0.0229164	standard
1.957	0.0395227	standard
1.95962	0.03156	standard
1.96287	0.064948	standard
1.96635	0.0631863	standard
1.96903	0.0736512	standard
1.97215	0.0795443	standard
1.97537	0.077222	standard
1.97848	0.07358	standard
1.98116	0.0638207	standard
1.98455	0.0630097	standard
1.98789	0.0314474	standard
1.9905	0.0395439	standard
1.99394	0.022373	standard
1.99998	0.012495	standard
3.657	0.347238	standard
3.66244	0.347238	standard
0.921196	0.50604	standard
0.930459	1.0	standard
0.939722	0.506219	standard
0.997437	1.00073	standard
1.00631	1.00064	standard
1.22434	0.0199072	standard
1.23362	0.0602528	standard
1.23581	0.0292793	standard
1.24286	0.0722331	standard
1.24516	0.0684982	standard
1.25072	0.0810512	standard
1.25211	0.059404	standard
1.25288	0.0596741	standard
1.2544	0.0724801	standard
1.25997	0.0794567	standard
1.26226	0.0826068	standard
1.26933	0.034122	standard
1.27152	0.0707386	standard
1.28079	0.0233434	standard
1.43541	0.0238534	standard
1.44131	0.0285558	standard
1.44467	0.0705283	standard
1.45056	0.077196	standard
1.45389	0.0800429	standard
1.45982	0.0868631	standard
1.46169	0.0793338	standard
1.46764	0.0703801	standard
1.47095	0.0669829	standard
1.47685	0.0600706	standard
1.48021	0.0243821	standard
1.48611	0.0203233	standard
1.9492	0.0125013	standard
1.95476	0.022526	standard
1.95809	0.0395885	standard
1.9605	0.0313354	standard
1.96357	0.0637629	standard
1.96685	0.0633373	standard
1.96932	0.0728792	standard
1.97222	0.0779967	standard
1.97528	0.0779958	standard
1.97818	0.0728793	standard
1.98065	0.0633373	standard
1.98393	0.0637619	standard
1.987	0.0313353	standard
1.98941	0.0395882	standard
1.99275	0.022526	standard
1.9983	0.0125013	standard
3.6572	0.347067	standard
3.66224	0.347067	standard
0.922225	0.505843	standard
0.930459	0.999585	standard
0.938693	0.505967	standard
0.99793	1.00082	standard
1.00582	1.00076	standard
1.22747	0.0201149	standard
1.23572	0.060719	standard
1.23778	0.0289739	standard
1.24393	0.07242	standard
1.24609	0.0686494	standard
1.25093	0.0807071	standard
1.2543	0.0721854	standard
1.25915	0.0790084	standard
1.26118	0.0817218	standard
1.26748	0.0339235	standard
1.26942	0.0702813	standard
1.27766	0.0231836	standard
1.43815	0.023686	standard
1.44344	0.0285231	standard
1.44637	0.0701048	standard
1.45167	0.0770509	standard
1.45457	0.0798394	standard
1.4599	0.0871313	standard
1.46151	0.0805068	standard
1.46686	0.0712195	standard
1.46975	0.067959	standard
1.47504	0.0607826	standard
1.47797	0.0247849	standard
1.48327	0.020543	standard
1.95186	0.0124716	standard
1.95688	0.02184	standard
1.95977	0.0394788	standard
1.96193	0.0314486	standard
1.96468	0.0614418	standard
1.96756	0.0638289	standard
1.96976	0.0732601	standard
1.97226	0.0758934	standard
1.97511	0.0785952	standard
1.97764	0.073347	standard
1.97983	0.0630985	standard
1.98281	0.0638025	standard
1.98547	0.0315856	standard
1.98764	0.0394563	standard
1.99064	0.0224928	standard
1.99554	0.0124835	standard
3.65749	0.346499	standard
3.66195	0.346499	standard
0.922658	0.506006	standard
0.930459	1.0	standard
0.93826	0.506112	standard
0.998137	0.999961	standard
1.00561	0.999912	standard
1.22892	0.0202126	standard
1.23673	0.0613452	standard
1.2385	0.0301358	standard
1.24452	0.0730464	standard
1.2464	0.0699031	standard
1.25104	0.079938	standard
1.25293	0.0602069	standard
1.25417	0.0735604	standard
1.25883	0.0784438	standard
1.26081	0.081729	standard
1.26671	0.0334442	standard
1.26861	0.0699497	standard
1.27642	0.0231126	standard
1.43929	0.0236278	standard
1.44429	0.0283813	standard
1.44709	0.0699081	standard
1.45208	0.0767147	standard
1.45485	0.0796649	standard
1.45987	0.0867366	standard
1.46144	0.0804128	standard
1.46648	0.0715031	standard
1.46924	0.068083	standard
1.47423	0.061069	standard
1.47703	0.0248441	standard
1.48203	0.0206466	standard
1.95298	0.0124521	standard
1.9577	0.022269	standard
1.96047	0.039354	standard
1.96256	0.0311438	standard
1.96511	0.0628574	standard
1.96786	0.0635989	standard
1.96998	0.0723346	standard
1.97237	0.0776445	standard
1.97503	0.0776445	standard
1.97743	0.0723346	standard
1.97954	0.0635989	standard
1.98229	0.0628573	standard
1.98484	0.0311438	standard
1.98693	0.0393537	standard
1.9897	0.0222691	standard
1.99442	0.0124522	standard
3.65759	0.345966	standard
3.66185	0.345966	standard
0.923048	0.505422	standard
0.930459	0.998842	standard
0.93787	0.505512	standard
0.998324	1.00081	standard
1.00542	1.00077	standard
1.2301	0.0202861	standard
1.23752	0.0613602	standard
1.23931	0.0295458	standard
1.24491	0.0734979	standard
1.2468	0.0695314	standard
1.25124	0.0809293	standard
1.25419	0.0730382	standard
1.25864	0.0791219	standard
1.2604	0.081961	standard
1.26614	0.0342969	standard
1.26781	0.0700692	standard
1.27524	0.0230563	standard
1.44037	0.0235823	standard
1.44507	0.0281634	standard
1.44778	0.0697264	standard
1.45247	0.0765179	standard
1.45516	0.0789293	standard
1.45988	0.087056	standard
1.46133	0.080495	standard
1.46618	0.0720843	standard
1.46874	0.068576	standard
1.47354	0.061343	standard
1.47615	0.0250863	standard
1.48095	0.0207223	standard
1.95404	0.0124317	standard
1.95858	0.0220389	standard
1.96115	0.0394101	standard
1.96312	0.0307314	standard
1.96561	0.0619974	standard
1.96816	0.0636487	standard
1.97016	0.0714271	standard
1.97246	0.0761591	standard
1.97492	0.0791864	standard
1.97724	0.0715222	standard
1.97923	0.062826	standard
1.98188	0.0645915	standard
1.98428	0.0308837	standard
1.98625	0.0393834	standard
1.98893	0.0227538	standard
1.99336	0.0124456	standard
3.65769	0.345573	standard
3.66175	0.345573	standard
0.923722	0.506029	standard
0.930459	1.0	standard
0.937196	0.506096	standard
0.998647	0.999778	standard
1.0051	0.999746	standard
1.2322	0.0204376	standard
1.23894	0.0619596	standard
1.24052	0.0301332	standard
1.24567	0.0739638	standard
1.24733	0.0704037	standard
1.25137	0.0802473	standard
1.25289	0.0601449	standard
1.25405	0.0739174	standard
1.2581	0.0784361	standard
1.25975	0.0815775	standard
1.26491	0.0336901	standard
1.26649	0.0696416	standard
1.27323	0.0229564	standard
1.44218	0.0234816	standard
1.44647	0.0281368	standard
1.44891	0.0694702	standard
1.4532	0.0762606	standard
1.45561	0.079099	standard
1.45994	0.0864032	standard
1.46128	0.0809163	standard
1.46561	0.0720123	standard
1.46802	0.068793	standard
1.47231	0.0618162	standard
1.47475	0.0250812	standard
1.47904	0.0209006	standard
1.9558	0.0124255	standard
1.95985	0.0222184	standard
1.96226	0.039183	standard
1.96406	0.0321411	standard
1.96625	0.0627164	standard
1.96865	0.0635973	standard
1.97048	0.0752754	standard
1.97253	0.0777315	standard
1.97487	0.0777315	standard
1.97692	0.0752754	standard
1.97875	0.0635963	standard
1.98115	0.0627164	standard
1.98334	0.0321401	standard
1.98514	0.0391831	standard
1.98755	0.0222175	standard
1.9916	0.0124248	standard
3.65789	0.345328	standard
3.66155	0.345328	standard
0.924759	0.50578	standard
0.930459	1.0	standard
0.93616	0.50582	standard
0.999143	1.00033	standard
1.0046	1.00031	standard
1.23544	0.0206696	standard
1.24115	0.0626551	standard
1.24249	0.0303998	standard
1.24684	0.0748533	standard
1.24825	0.0711205	standard
1.25169	0.0801206	standard
1.25306	0.0600807	standard
1.25393	0.0748237	standard
1.25738	0.0779306	standard
1.25879	0.0812858	standard
1.26314	0.0334124	standard
1.26448	0.0691728	standard
1.27019	0.022808	standard
1.44492	0.0233181	standard
1.44862	0.028218	standard
1.45062	0.0690785	standard
1.45431	0.0762279	standard
1.45629	0.0790657	standard
1.46001	0.0870143	standard
1.4611	0.0824471	standard
1.46484	0.0730588	standard
1.46681	0.0698992	standard
1.4705	0.0625803	standard
1.4725	0.0256012	standard
1.4762	0.0211303	standard
1.95858	0.01242	standard
1.96196	0.0222063	standard
1.96405	0.0392296	standard
1.96556	0.0316805	standard
1.96738	0.0630402	standard
1.96944	0.0620471	standard
1.97098	0.0734585	standard
1.97271	0.0782422	standard
1.97459	0.0765475	standard
1.97643	0.0730908	standard
1.97795	0.0638713	standard
1.97991	0.0631276	standard
1.98187	0.0311013	standard
1.98336	0.0392367	standard
1.98533	0.0224411	standard
1.98883	0.0123758	standard
3.65819	0.344961	standard
3.66125	0.344961	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

L-Isoleucine

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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