L-isoleucine

Simulation outputs:

	Parameter	Value
	Field strength	499.84(MHz)
	RMSD of the fit	0.00773
	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
	pKa	2.32
	pKa	9.76
	Note 1	None

Sample description:

Compound	Type	Concentration
L-Isoleucine	Solute	100mM
D2O	Solvent	100%
sodium phosphate	Buffer	50mM
sodium azide	Cytocide	500uM
DSS	Reference	0.1%

Show/Hide Spin System Matrix

Spin System Matrix

	10	11	12	16	17	18	13	14	15	19
10	0.927	-12.5	0	7.412	7.412	0	0	0	0	0
11	0	0.927	-12.5	7.412	7.412	0	0	0	0	0
12	0	0	0.927	7.412	7.412	0	0	0	0	0
16	0	0	0	1.458	-13.65	4.704	0	0	0	0
17	0	0	0	0	1.25	9.29	0	0	0	0
18	0	0	0	0	0	1.97	7.1	7.1	7.1	4.057
13	0	0	0	0	0	0	0.999	-12.5	-12.5	0
14	0	0	0	0	0	0	0	0.999	-12.5	0
15	0	0	0	0	0	0	0	0	0.999	0
19	0	0	0	0	0	0	0	0	0	3.658

Spectra

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

PPM	Amplitude	Peak Type
0.91212	0.450036	standard
0.926925	0.992092	standard
0.941732	0.51254	standard
0.991362	0.997443	standard
1.00554	1.0	standard
1.20432	0.0224986	standard
1.21907	0.0560689	standard
1.22255	0.0338133	standard
1.23377	0.0683572	standard
1.23744	0.0663131	standard
1.24651	0.08317	standard
1.25015	0.0672757	standard
1.25202	0.069934	standard
1.26127	0.0787556	standard
1.26481	0.085973	standard
1.27633	0.0353625	standard
1.2796	0.069205	standard
1.29446	0.0229338	standard
1.41817	0.0270373	standard
1.42769	0.0327172	standard
1.43302	0.0735402	standard
1.44253	0.081608	standard
1.44771	0.0831521	standard
1.45733	0.0901717	standard
1.46013	0.0805728	standard
1.46987	0.0686896	standard
1.47496	0.0656017	standard
1.48453	0.0569876	standard
1.48985	0.0237884	standard
1.49938	0.0192539	standard
1.93152	0.0127109	standard
1.94046	0.0233023	standard
1.94574	0.0395294	standard
1.94958	0.0332387	standard
1.95455	0.0641484	standard
1.95976	0.0645076	standard
1.96371	0.0752863	standard
1.96843	0.0797259	standard
1.97322	0.079339	standard
1.97791	0.0756134	standard
1.98186	0.0645577	standard
1.98707	0.0646019	standard
1.99201	0.0333175	standard
1.99587	0.0397334	standard
2.00116	0.0229533	standard
2.01013	0.0124648	standard
3.65353	0.34096	standard
3.66164	0.340968	standard
0.602301	0.0198301	standard
0.65249	0.0287761	standard
0.739179	0.0887541	standard
0.805534	0.108848	standard
0.916237	0.682116	standard
1.07043	1.0	standard
1.14554	0.204422	standard
1.23005	0.165749	standard
1.35642	0.191217	standard
1.49647	0.0833301	standard
1.55618	0.0919673	standard
1.68016	0.0629111	standard
1.79006	0.0562511	standard
1.89629	0.0484511	standard
1.96066	0.0455951	standard
1.98099	0.0445761	standard
2.029	0.0397301	standard
2.13185	0.0281971	standard
2.30791	0.0116101	standard
2.37526	0.00743612	standard
2.49408	0.00321213	standard
3.61223	0.223773	standard
3.70678	0.208484	standard
0.757627	0.0552871	standard
0.800688	0.132204	standard
0.830053	0.126505	standard
0.936706	0.882146	standard
1.00523	0.499859	standard
1.05096	1.0	standard
1.10674	0.155487	standard
1.18683	0.0911582	standard
1.2385	0.124719	standard
1.28606	0.118839	standard
1.32932	0.143704	standard
1.37692	0.127811	standard
1.43802	0.126161	standard
1.50772	0.084722	standard
1.56054	0.0584945	standard
1.64683	0.0328152	standard
1.67272	0.0270241	standard
1.75147	0.0329711	standard
1.79298	0.039796	standard
1.81654	0.0405971	standard
1.88131	0.0557331	standard
1.92594	0.0563621	standard
1.99002	0.0598881	standard
2.04368	0.0444681	standard
2.10527	0.0380591	standard
2.16915	0.0202601	standard
2.22836	0.0120401	standard
2.29809	0.00447813	standard
3.62563	0.279778	standard
3.69102	0.271429	standard
0.807683	0.085285	standard
0.831304	0.174161	standard
0.845506	0.141978	standard
0.916973	0.537725	standard
0.952426	0.857017	standard
1.0027	0.601355	standard
1.03997	1.0	standard
1.13917	0.0841782	standard
1.20696	0.0840187	standard
1.24154	0.10305	standard
1.26831	0.0720872	standard
1.31649	0.173013	standard
1.39018	0.140617	standard
1.40023	0.131274	standard
1.42457	0.127806	standard
1.48777	0.0936991	standard
1.55662	0.027846	standard
1.58887	0.0405041	standard
1.65303	0.016249	standard
1.69365	0.00866513	standard
1.74587	0.020478	standard
1.79854	0.02876	standard
1.82829	0.039064	standard
1.85066	0.0387131	standard
1.88562	0.058542	standard
1.90913	0.05706	standard
1.93599	0.06153	standard
1.98129	0.0652251	standard
2.02553	0.0528081	standard
2.07244	0.0416623	standard
2.11598	0.0239191	standard
2.16295	0.013805	standard
2.22211	0.00614112	standard
3.63313	0.301853	standard
3.68286	0.298787	standard
0.84175	0.192465	standard
0.918233	0.596177	standard
0.957968	0.878723	standard
0.997269	0.554495	standard
1.03571	1.0	standard
1.10065	0.0569481	standard
1.14974	0.0739531	standard
1.21337	0.0801776	standard
1.24254	0.101901	standard
1.28872	0.085449	standard
1.31401	0.153947	standard
1.33901	0.111362	standard
1.39219	0.161762	standard
1.42308	0.102118	standard
1.47841	0.098833	standard
1.54375	0.0309671	standard
1.57079	0.0433882	standard
1.62881	0.018847	standard
1.6634	0.00903813	standard
1.71815	0.00825425	standard
1.76639	0.018099	standard
1.81522	0.028461	standard
1.84266	0.040036	standard
1.86336	0.0386381	standard
1.89371	0.0605651	standard
1.91642	0.0583911	standard
1.93988	0.065042	standard
1.98109	0.0686763	standard
2.01915	0.057774	standard
2.06189	0.045106	standard
2.09878	0.02604	standard
2.11033	0.0239961	standard
2.14138	0.0150281	standard
2.19394	0.00689925	standard
3.63574	0.313607	standard
3.6801	0.312025	standard
0.850299	0.204719	standard
0.919555	0.636298	standard
0.96221	0.886947	standard
0.990286	0.539984	standard
1.03238	1.00002	standard
1.08286	0.0616098	standard
1.11511	0.0444203	standard
1.15874	0.0691446	standard
1.21831	0.0777261	standard
1.24362	0.0974109	standard
1.28966	0.105303	standard
1.30761	0.12662	standard
1.32856	0.102384	standard
1.35115	0.0923684	standard
1.37783	0.117307	standard
1.39709	0.123594	standard
1.42279	0.0900032	standard
1.4525	0.0627381	standard
1.47496	0.0841917	standard
1.53364	0.0326172	standard
1.55667	0.0435749	standard
1.60968	0.020812	standard
1.64014	0.009811	standard
1.68904	0.008124	standard
1.78542	0.0170381	standard
1.82914	0.0272561	standard
1.85436	0.0394541	standard
1.87323	0.037632	standard
1.90001	0.060154	standard
1.92168	0.0572554	standard
1.94249	0.0658172	standard
1.9798	0.0684983	standard
2.01382	0.0595255	standard
2.05297	0.046417	standard
2.08563	0.0262822	standard
2.09773	0.0250331	standard
2.12441	0.0156234	standard
2.17118	0.007273	standard
3.63784	0.311213	standard
3.67788	0.309955	standard
0.889076	0.324217	standard
0.925436	0.921622	standard
0.962188	0.528031	standard
0.980456	0.968529	standard
1.01588	1.00004	standard
1.13621	0.0257556	standard
1.1698	0.0398681	standard
1.18056	0.0371267	standard
1.20461	0.061341	standard
1.215	0.0557484	standard
1.23798	0.0758386	standard
1.2447	0.0732922	standard
1.2492	0.0783631	standard
1.2748	0.0696027	standard
1.28332	0.0954642	standard
1.32025	0.0693042	standard
1.36309	0.0440595	standard
1.38722	0.0453471	standard
1.39937	0.0737323	standard
1.42333	0.0856265	standard
1.43628	0.0776842	standard
1.46081	0.086599	standard
1.4918	0.0521281	standard
1.49846	0.0494852	standard
1.50399	0.048723	standard
1.52867	0.0383102	standard
1.54236	0.0162844	standard
1.56644	0.013543	standard
1.87461	0.014915	standard
1.89692	0.025756	standard
1.91006	0.0409806	standard
1.91944	0.036321	standard
1.93216	0.0655864	standard
1.94477	0.0636698	standard
1.95471	0.075336	standard
1.96683	0.0769637	standard
1.97779	0.0740255	standard
1.9901	0.072654	standard
1.99983	0.0580251	standard
2.01257	0.0580241	standard
2.02551	0.0311659	standard
2.03456	0.0345474	standard
2.04753	0.0200966	standard
2.0702	0.0105131	standard
3.6476	0.333074	standard
3.66777	0.333013	standard
0.901879	0.391222	standard
0.92643	0.970091	standard
0.951016	0.509803	standard
0.986527	0.980425	standard
1.0102	1.00001	standard
1.17388	0.0229465	standard
1.19755	0.0469397	standard
1.204	0.0348885	standard
1.22138	0.0600083	standard
1.22795	0.0599127	standard
1.24321	0.0787833	standard
1.24999	0.0718734	standard
1.26797	0.0742686	standard
1.27359	0.0889198	standard
1.29826	0.067905	standard
1.32325	0.0239213	standard
1.39328	0.0309404	standard
1.4091	0.0383978	standard
1.41771	0.0745637	standard
1.43367	0.0846094	standard
1.44224	0.081677	standard
1.45846	0.0897413	standard
1.46223	0.0778846	standard
1.4792	0.0610735	standard
1.48758	0.0568165	standard
1.50366	0.047894	standard
1.51256	0.0198429	standard
1.52852	0.0162108	standard
1.90597	0.0135995	standard
1.92086	0.0243524	standard
1.92967	0.0399021	standard
1.93601	0.034258	standard
1.94436	0.0644381	standard
1.95294	0.0640889	standard
1.95956	0.0749287	standard
1.96747	0.0785476	standard
1.97528	0.077227	standard
1.98315	0.0755647	standard
1.98976	0.0628211	standard
1.99838	0.0629345	standard
2.0067	0.0329358	standard
2.01302	0.0382325	standard
2.02174	0.0219879	standard
2.03674	0.0117299	standard
3.65088	0.338114	standard
3.66441	0.338629	standard
0.908315	0.430357	standard
0.926765	0.986651	standard
0.945265	0.512162	standard
0.989553	0.992614	standard
1.0073	1.00019	standard
1.19292	0.0226115	standard
1.21117	0.0525445	standard
1.21563	0.0342072	standard
1.22933	0.0640494	standard
1.23395	0.0633718	standard
1.24541	0.0815739	standard
1.25009	0.0693563	standard
1.2519	0.0685157	standard
1.2639	0.0774496	standard
1.2682	0.087003	standard
1.28291	0.0355565	standard
1.2867	0.0683299	standard
1.30537	0.0231997	standard
1.40876	0.0288385	standard
1.42057	0.0351096	standard
1.42719	0.0744098	standard
1.43912	0.0828988	standard
1.44557	0.0830595	standard
1.45763	0.0906472	standard
1.46098	0.0792151	standard
1.47327	0.0653334	standard
1.47964	0.0620201	standard
1.49162	0.0531461	standard
1.49825	0.0224854	standard
1.51018	0.0181439	standard
1.92191	0.012922	standard
1.93311	0.023379	standard
1.93966	0.039409	standard
1.94449	0.0332144	standard
1.95069	0.0640471	standard
1.95718	0.0641854	standard
1.96213	0.0750642	standard
1.96803	0.0794079	standard
1.97399	0.0789037	standard
1.97985	0.075805	standard
1.98481	0.0643961	standard
1.99131	0.0642085	standard
1.99746	0.0333262	standard
2.0023	0.0393299	standard
2.00887	0.0227514	standard
2.02005	0.0122712	standard
3.65254	0.340046	standard
3.66272	0.340031	standard
0.912128	0.452117	standard
0.926925	0.992133	standard
0.941732	0.512286	standard
0.991362	0.997286	standard
1.00554	1.0	standard
1.20436	0.0225003	standard
1.21913	0.0565597	standard
1.22255	0.0339204	standard
1.23376	0.0680436	standard
1.23746	0.0663255	standard
1.24651	0.0831978	standard
1.25014	0.0672241	standard
1.25202	0.069775	standard
1.26127	0.0789054	standard
1.2648	0.0863912	standard
1.27634	0.0352141	standard
1.2796	0.069219	standard
1.29446	0.0229367	standard
1.41817	0.0270743	standard
1.42768	0.0326221	standard
1.43304	0.0726491	standard
1.44253	0.0816111	standard
1.44771	0.0830574	standard
1.45733	0.0902977	standard
1.46013	0.0804927	standard
1.46987	0.0686997	standard
1.47496	0.0655655	standard
1.4845	0.0568738	standard
1.48985	0.023859	standard
1.49938	0.0192439	standard
1.93152	0.0127059	standard
1.94048	0.023295	standard
1.94576	0.0394603	standard
1.94959	0.0331903	standard
1.95456	0.064157	standard
1.95976	0.0645722	standard
1.96373	0.075136	standard
1.96843	0.0799065	standard
1.97322	0.0793961	standard
1.9779	0.0759997	standard
1.98186	0.0645441	standard
1.98706	0.0645888	standard
1.99201	0.0332949	standard
1.99585	0.03978	standard
2.00114	0.0229073	standard
2.0101	0.012466	standard
3.65355	0.340721	standard
3.66164	0.340925	standard
0.914696	0.46639	standard
0.927022	0.993254	standard
0.939361	0.512585	standard
0.992552	0.997155	standard
1.00438	1.00029	standard
1.21196	0.0222266	standard
1.22431	0.0579238	standard
1.22718	0.033682	standard
1.23653	0.0699825	standard
1.23962	0.068284	standard
1.2471	0.0828737	standard
1.25016	0.0670912	standard
1.25178	0.0719818	standard
1.25948	0.0801263	standard
1.26238	0.0852406	standard
1.27197	0.0351516	standard
1.27476	0.0696176	standard
1.28713	0.0226378	standard
1.42462	0.0256463	standard
1.43253	0.0314009	standard
1.43696	0.0717146	standard
1.44487	0.0797499	standard
1.44925	0.0838625	standard
1.45723	0.0919463	standard
1.45953	0.0816887	standard
1.46762	0.0694594	standard
1.47196	0.0677865	standard
1.47988	0.0591584	standard
1.48432	0.0247951	standard
1.49224	0.0201	standard
1.93799	0.0126114	standard
1.94547	0.023319	standard
1.94982	0.0396423	standard
1.95305	0.0334198	standard
1.95716	0.0644339	standard
1.9615	0.0646086	standard
1.96482	0.0751653	standard
1.96873	0.0800334	standard
1.97272	0.0799887	standard
1.97663	0.0763703	standard
1.97992	0.0647478	standard
1.98425	0.0648314	standard
1.98839	0.0333519	standard
1.99161	0.0397779	standard
1.99597	0.0230804	standard
2.00346	0.0124924	standard
3.65422	0.341011	standard
3.66095	0.341118	standard
0.91648	0.476726	standard
0.927075	0.996463	standard
0.937627	0.512142	standard
0.99342	1.0004	standard
1.00353	1.00021	standard
1.21741	0.0222916	standard
1.22801	0.0596688	standard
1.23049	0.0328236	standard
1.23854	0.0725607	standard
1.24118	0.0696655	standard
1.24755	0.081928	standard
1.2501	0.0667675	standard
1.2516	0.073727	standard
1.25811	0.0802343	standard
1.26067	0.0850341	standard
1.26881	0.0353103	standard
1.27128	0.0695734	standard
1.28187	0.0230227	standard
1.42928	0.0252924	standard
1.43599	0.0307049	standard
1.4398	0.070581	standard
1.44658	0.0792841	standard
1.45032	0.0834739	standard
1.45719	0.0912913	standard
1.45923	0.0826067	standard
1.46616	0.0716702	standard
1.46986	0.0688775	standard
1.47658	0.0607682	standard
1.48036	0.0256115	standard
1.48718	0.020755	standard
1.94258	0.012573	standard
1.949	0.023185	standard
1.95277	0.0399178	standard
1.95555	0.0329681	standard
1.95907	0.0644667	standard
1.96277	0.0647168	standard
1.96561	0.075837	standard
1.96894	0.079762	standard
1.97237	0.0802348	standard
1.97573	0.075215	standard
1.97857	0.0650925	standard
1.98229	0.0651106	standard
1.98578	0.0332463	standard
1.98858	0.0397791	standard
1.99235	0.023378	standard
1.99877	0.0125639	standard
3.65472	0.341162	standard
3.66056	0.34112	standard
0.917194	0.482482	standard
0.927075	0.997682	standard
0.936942	0.507963	standard
0.993766	1.00059	standard
1.00323	1.00022	standard
1.21959	0.0217786	standard
1.22949	0.0599846	standard
1.23179	0.032929	standard
1.23934	0.0743302	standard
1.24176	0.070965	standard
1.2477	0.0820989	standard
1.2501	0.0670196	standard
1.25152	0.0744119	standard
1.25757	0.0804992	standard
1.25998	0.0841502	standard
1.26763	0.0358617	standard
1.26988	0.070826	standard
1.27979	0.0230637	standard
1.43106	0.0247382	standard
1.43748	0.0304923	standard
1.44096	0.0711144	standard
1.44727	0.0787376	standard
1.45082	0.0830651	standard
1.45719	0.0918301	standard
1.45902	0.084097	standard
1.46552	0.072463	standard
1.46897	0.0695318	standard
1.47529	0.0608634	standard
1.47889	0.0256521	standard
1.4852	0.0208341	standard
1.94446	0.0126	standard
1.9504	0.0230057	standard
1.95394	0.0398381	standard
1.95657	0.0334438	standard
1.95979	0.0650023	standard
1.96328	0.0648128	standard
1.96592	0.075833	standard
1.96905	0.0802576	standard
1.97227	0.0799926	standard
1.97536	0.0757409	standard
1.97803	0.064936	standard
1.98149	0.0646477	standard
1.98479	0.0331174	standard
1.98738	0.0398776	standard
1.99084	0.0231141	standard
1.99688	0.0125625	standard
3.65492	0.341505	standard
3.66036	0.341531	standard
0.917858	0.485529	standard
0.927093	0.999578	standard
0.936337	0.503687	standard
0.994064	1.00025	standard
1.00294	1.00066	standard
1.22148	0.0217676	standard
1.23074	0.0605906	standard
1.23289	0.0329031	standard
1.24	0.0741681	standard
1.24225	0.0707551	standard
1.24787	0.0823585	standard
1.25017	0.0664903	standard
1.25145	0.0756843	standard
1.25708	0.0801433	standard
1.25936	0.083441	standard
1.26654	0.0362666	standard
1.26859	0.0703266	standard
1.2779	0.0232867	standard
1.43275	0.0246723	standard
1.43866	0.0303	standard
1.44196	0.0705641	standard
1.44793	0.0790765	standard
1.45119	0.0833045	standard
1.45719	0.090825	standard
1.45893	0.083716	standard
1.46502	0.0735654	standard
1.46825	0.0701182	standard
1.47416	0.0618774	standard
1.4775	0.0258505	standard
1.48341	0.0210021	standard
1.94605	0.01259	standard
1.95163	0.0232002	standard
1.95493	0.0396406	standard
1.95741	0.0334895	standard
1.96046	0.0645752	standard
1.96373	0.0646361	standard
1.9662	0.076497	standard
1.96914	0.080591	standard
1.97211	0.0798761	standard
1.97506	0.0747677	standard
1.97758	0.0649151	standard
1.98082	0.0652494	standard
1.98386	0.0333699	standard
1.98629	0.0398714	standard
1.98964	0.0232397	standard
1.9952	0.01259	standard
3.65511	0.341826	standard
3.66016	0.342064	standard
0.91888	0.492129	standard
0.927111	0.996303	standard
0.935339	0.507435	standard
0.994535	1.0	standard
1.00244	0.997604	standard
1.22465	0.0213736	standard
1.23289	0.0615277	standard
1.23479	0.0327188	standard
1.2411	0.0756352	standard
1.24313	0.0711302	standard
1.24813	0.0821989	standard
1.25016	0.0657771	standard
1.25132	0.0761881	standard
1.25634	0.0804235	standard
1.25835	0.0836146	standard
1.26471	0.0357892	standard
1.26658	0.070222	standard
1.27483	0.0234177	standard
1.43543	0.0243562	standard
1.44073	0.0297893	standard
1.44371	0.0702419	standard
1.44891	0.0775553	standard
1.4519	0.0818573	standard
1.45715	0.0913659	standard
1.45872	0.0844583	standard
1.46412	0.0733722	standard
1.46704	0.0707995	standard
1.47228	0.0623578	standard
1.47523	0.0261034	standard
1.48054	0.0211571	standard
1.94873	0.0125318	standard
1.95373	0.0232618	standard
1.95671	0.0398451	standard
1.95882	0.0338081	standard
1.96153	0.0651844	standard
1.96444	0.0647846	standard
1.96671	0.0749182	standard
1.96931	0.0809265	standard
1.97191	0.0807105	standard
1.97451	0.0750567	standard
1.97676	0.0648996	standard
1.97968	0.0651593	standard
1.98235	0.0332416	standard
1.98451	0.0398112	standard
1.98742	0.0226497	standard
1.99243	0.012562	standard
3.65541	0.340994	standard
3.65986	0.34118	standard
0.919332	0.494339	standard
0.927111	0.999428	standard
0.934942	0.507203	standard
0.994758	1.0009	standard
1.00224	1.00079	standard
1.22604	0.0214947	standard
1.23379	0.0616074	standard
1.23559	0.0325509	standard
1.2416	0.0763035	standard
1.24353	0.0715098	standard
1.24823	0.0821548	standard
1.25122	0.0767131	standard
1.25604	0.0805019	standard
1.25792	0.0845093	standard
1.2639	0.0360449	standard
1.26568	0.0702212	standard
1.27354	0.0233037	standard
1.43662	0.0243753	standard
1.44163	0.0298589	standard
1.44441	0.0703366	standard
1.44941	0.078205	standard
1.45216	0.0831672	standard
1.45713	0.0906816	standard
1.45871	0.0844723	standard
1.46378	0.0745755	standard
1.46647	0.0714195	standard
1.47149	0.0626722	standard
1.47434	0.0261085	standard
1.47935	0.0212531	standard
1.94992	0.0126041	standard
1.95463	0.0231746	standard
1.9574	0.0400205	standard
1.95941	0.0335885	standard
1.96204	0.0649227	standard
1.96474	0.0651116	standard
1.96686	0.0765841	standard
1.96929	0.0800295	standard
1.97183	0.0808035	standard
1.97432	0.0748363	standard
1.97637	0.0648562	standard
1.97918	0.0646857	standard
1.98172	0.0336525	standard
1.98382	0.03978	standard
1.98658	0.0236324	standard
1.99124	0.0126202	standard
3.65551	0.341992	standard
3.65976	0.341764	standard
0.919728	0.492278	standard
0.927136	0.994815	standard
0.934545	0.503349	standard
0.994932	1.0	standard
1.00205	0.996979	standard
1.22723	0.0211516	standard
1.23465	0.0624206	standard
1.23627	0.0329414	standard
1.242	0.0757251	standard
1.24382	0.0711646	standard
1.24832	0.0808126	standard
1.25015	0.0658138	standard
1.25121	0.0773626	standard
1.25571	0.0808151	standard
1.25753	0.0838277	standard
1.2632	0.0358231	standard
1.26489	0.0697367	standard
1.27235	0.0232717	standard
1.43761	0.0241392	standard
1.44242	0.0298576	standard
1.445	0.0696089	standard
1.44977	0.0780981	standard
1.45239	0.0817006	standard
1.45721	0.0905418	standard
1.45864	0.0849471	standard
1.46341	0.0738537	standard
1.46605	0.0714593	standard
1.47079	0.0625839	standard
1.47345	0.0263118	standard
1.47816	0.0213622	standard
1.95091	0.0125399	standard
1.95544	0.0228046	standard
1.95806	0.0398845	standard
1.96003	0.0335295	standard
1.96244	0.0638949	standard
1.96503	0.0649092	standard
1.96705	0.075875	standard
1.96938	0.0796782	standard
1.97181	0.0800592	standard
1.97412	0.0743117	standard
1.97612	0.0652757	standard
1.97872	0.0651709	standard
1.98116	0.0325697	standard
1.98312	0.0397701	standard
1.98576	0.0230776	standard
1.99025	0.0125499	standard
3.65561	0.34083	standard
3.65967	0.340965	standard
0.920444	0.500298	standard
0.927162	0.999396	standard
0.933888	0.501932	standard
0.995253	1.00091	standard
1.0017	1.00098	standard
1.22931	0.0213707	standard
1.23603	0.0626824	standard
1.2376	0.0325906	standard
1.24277	0.0780911	standard
1.2444	0.0728846	standard
1.24848	0.0815926	standard
1.25112	0.0778623	standard
1.25521	0.0807293	standard
1.25683	0.0832168	standard
1.26198	0.0352135	standard
1.26358	0.0701084	standard
1.27037	0.0235037	standard
1.43939	0.0241653	standard
1.4437	0.0294071	standard
1.44616	0.0699119	standard
1.45046	0.078	standard
1.45286	0.0810701	standard
1.4572	0.0907363	standard
1.45852	0.0861612	standard
1.46288	0.0756861	standard
1.46526	0.0720474	standard
1.46957	0.0639887	standard
1.47196	0.0266669	standard
1.47627	0.0215782	standard
1.95269	0.0126121	standard
1.95674	0.02312	standard
1.95919	0.0399859	standard
1.9609	0.0331367	standard
1.96317	0.0650788	standard
1.96554	0.0648387	standard
1.96734	0.0751407	standard
1.96947	0.0809247	standard
1.97166	0.0805334	standard
1.97378	0.0752625	standard
1.97559	0.0649418	standard
1.97795	0.0649509	standard
1.98021	0.0338749	standard
1.98193	0.039882	standard
1.98442	0.0230281	standard
1.98846	0.012602	standard
3.65581	0.342846	standard
3.65947	0.342548	standard
0.921435	0.49901	standard
0.927186	1.0	standard
0.932838	0.503408	standard
0.995749	0.996736	standard
1.0012	0.997068	standard
1.23249	0.0211687	standard
1.23818	0.0640909	standard
1.2395	0.0325168	standard
1.24385	0.0778343	standard
1.24527	0.074191	standard
1.24874	0.0822711	standard
1.25092	0.0783548	standard
1.25441	0.0786807	standard
1.25582	0.0832109	standard
1.26018	0.0355322	standard
1.26149	0.0689574	standard
1.26719	0.0233057	standard
1.44217	0.0238892	standard
1.44588	0.0296448	standard
1.44785	0.0694197	standard
1.45155	0.0774247	standard
1.45356	0.0804807	standard
1.45719	0.0898122	standard
1.45832	0.0854801	standard
1.46208	0.0766513	standard
1.46408	0.0723371	standard
1.46768	0.0643237	standard
1.46979	0.0265185	standard
1.4734	0.0217402	standard
1.95546	0.0125983	standard
1.95885	0.0230949	standard
1.96093	0.0398177	standard
1.96245	0.0333364	standard
1.9643	0.0649475	standard
1.96631	0.0645412	standard
1.96786	0.075804	standard
1.96963	0.080669	standard
1.97149	0.0801866	standard
1.9733	0.0758297	standard
1.97483	0.0660667	standard
1.97682	0.0648413	standard
1.97872	0.0331201	standard
1.98022	0.0399146	standard
1.98219	0.02339	standard
1.98569	0.0125558	standard
3.6561	0.341893	standard
3.65917	0.341881	standard

View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks

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

Help