Biotin

Simulation outputs:

	Parameter	Value
	Field strength	600.13(MHz)
	RMSD of the fit	0.01918
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
	Note 1	needed Perfect HSQC
	Note 2	Relayed-HMQC,COSY

Sample description:

Compound	Type	Concentration
Biotin	Solute	100mM
D2O	Solvent	100%
sodium phosphate	Buffer	50mM
sodium azide	Cytocide	500uM
DSS	Reference	500uM

Show/Hide Spin System Matrix

Spin System Matrix

	25	26	27	29	28	21	22	17	18	19	20	23	24
25	2.773	-13.193	1.091	0	0	0	0	0	0	0	0	0	0
26	0	2.996	4.97	0	0	0	0	0	0	0	0	0	0
27	0	0	4.599	7.956	0	0	0	0	0	0	0	0	0
29	0	0	0	4.434	4.591	0	0	0	0	0	0	0	0
28	0	0	0	0	3.347	9.008	6.415	0	0	0	0	0	0
21	0	0	0	0	0	1.588	-14.424	8.23	6.904	0	0	0	0
22	0	0	0	0	0	0	1.72	7.412	7.623	0	0	0	0
17	0	0	0	0	0	0	0	1.407	-12.399	8.783	8.082	0	0
18	0	0	0	0	0	0	0	0	1.406	7.209	6.87	0	0
19	0	0	0	0	0	0	0	0	0	1.595	-14.246	7.162	14.391
20	0	0	0	0	0	0	0	0	0	0	1.594	1.222	7.836
23	0	0	0	0	0	0	0	0	0	0	0	2.184	-14.261
24	0	0	0	0	0	0	0	0	0	0	0	0	2.185

Spectra

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

PPM	Amplitude	Peak Type
1.3808	0.133105	standard
1.39333	0.524343	standard
1.40598	0.858525	standard
1.41863	0.645372	standard
1.43119	0.198217	standard
1.55759	0.0996075	standard
1.56947	0.33172	standard
1.58175	0.703912	standard
1.59404	0.920062	standard
1.60645	0.616756	standard
1.61782	0.197971	standard
1.63144	0.0344549	standard
1.64514	0.0138817	standard
1.69114	0.113802	standard
1.7032	0.273723	standard
1.71498	0.339538	standard
1.72709	0.294492	standard
1.73889	0.196901	standard
1.75103	0.0759095	standard
2.14784	0.0259066	standard
2.1724	0.583747	standard
2.18508	1.0	standard
2.19637	0.44209	standard
2.19881	0.417039	standard
2.22314	0.028465	standard
2.76157	0.560172	standard
2.78344	0.697034	standard
2.98155	0.467235	standard
2.98976	0.470323	standard
3.00346	0.389063	standard
3.01172	0.384697	standard
3.33074	0.23429	standard
3.33856	0.294407	standard
3.34132	0.311914	standard
3.3458	0.312744	standard
3.34896	0.312743	standard
3.35345	0.311911	standard
3.35621	0.294403	standard
3.36402	0.234281	standard
4.42382	0.403424	standard
4.43147	0.435093	standard
4.43702	0.496842	standard
4.44466	0.470207	standard
4.58887	0.370502	standard
4.59734	0.410548	standard
4.6012	0.362377	standard
4.60986	0.314716	standard
1.55472	1.0	standard
1.71383	0.562749	standard
1.86931	0.240684	standard
2.05613	0.379716	standard
2.16439	0.454677	standard
2.49398	0.10775	standard
2.53455	0.100683	standard
2.86693	0.805068	standard
2.96049	0.414094	standard
3.1017	0.137943	standard
3.20545	0.170406	standard
3.26635	0.174493	standard
3.34659	0.214349	standard
3.4187	0.164091	standard
3.48257	0.137435	standard
3.58528	0.122775	standard
4.05944	0.0108101	standard
4.24661	0.0889792	standard
4.44466	0.419725	standard
4.52666	0.58016	standard
4.76138	0.0519641	standard
4.80413	0.0506271	standard
1.08861	0.0276641	standard
1.49783	1.0	standard
1.56243	0.988197	standard
1.69261	0.60243	standard
2.08901	0.47702	standard
2.19003	0.562804	standard
2.6281	0.142275	standard
2.8316	0.713267	standard
2.84437	0.722425	standard
2.89706	0.566782	standard
2.96344	0.515214	standard
3.1212	0.101586	standard
3.18335	0.276258	standard
3.25306	0.221416	standard
3.28938	0.220864	standard
3.35373	0.274451	standard
3.40094	0.239363	standard
3.43827	0.207592	standard
3.50815	0.182554	standard
4.3125	0.15306	standard
4.38586	0.121899	standard
4.44403	0.499332	standard
4.51429	0.756784	standard
4.57919	0.364887	standard
4.71169	0.0984172	standard
4.7308	0.095871	standard
1.17034	0.0398591	standard
1.32203	0.23216	standard
1.4744	1.0	standard
1.59325	0.954772	standard
1.6743	0.704069	standard
1.89812	0.081694	standard
1.92098	0.0783671	standard
2.10877	0.598866	standard
2.19478	0.741585	standard
2.47752	0.0237341	standard
2.66978	0.219578	standard
2.82329	0.819011	standard
2.83218	0.813383	standard
2.91392	0.605682	standard
2.96696	0.594923	standard
3.07937	0.1476	standard
3.13155	0.180439	standard
3.22392	0.226076	standard
3.27791	0.275287	standard
3.30332	0.281578	standard
3.33877	0.311964	standard
3.35561	0.325873	standard
3.38925	0.300472	standard
3.41508	0.267918	standard
3.46927	0.229636	standard
4.34515	0.219482	standard
4.39962	0.190509	standard
4.44409	0.573455	standard
4.49717	0.615226	standard
4.53415	0.49747	standard
4.58441	0.407876	standard
4.59559	0.393843	standard
4.6835	0.151234	standard
4.69476	0.147535	standard
1.19792	0.0478801	standard
1.32924	0.264118	standard
1.47209	0.995878	standard
1.59825	1.0	standard
1.6672	0.770641	standard
1.79412	0.15911	standard
1.87204	0.076985	standard
1.95729	0.0654461	standard
2.11537	0.657638	standard
2.19429	0.833825	standard
2.24989	0.379039	standard
2.4433	0.0250101	standard
2.68297	0.26492	standard
2.82013	0.880262	standard
2.82745	0.871802	standard
2.92024	0.64123	standard
2.96862	0.636081	standard
3.06713	0.180735	standard
3.11489	0.209218	standard
3.23738	0.247706	standard
3.28606	0.304439	standard
3.30796	0.313221	standard
3.3389	0.339616	standard
3.35538	0.354147	standard
3.38512	0.331965	standard
3.40733	0.298243	standard
3.45617	0.253232	standard
4.35588	0.256286	standard
4.40453	0.231658	standard
4.44388	0.61617	standard
4.49154	0.634125	standard
4.54048	0.501584	standard
4.54456	0.500859	standard
4.58613	0.437574	standard
4.59505	0.429406	standard
4.67402	0.17744	standard
4.68293	0.17334	standard
1.21998	0.04913	standard
1.33431	0.270991	standard
1.39887	0.503228	standard
1.46969	0.907627	standard
1.48292	0.901942	standard
1.53307	0.747985	standard
1.59893	1.0	standard
1.66054	0.849639	standard
1.71415	0.415072	standard
1.78751	0.168776	standard
1.85694	0.082324	standard
1.94062	0.0455661	standard
1.97653	0.0542931	standard
2.12099	0.702244	standard
2.19323	0.911126	standard
2.24688	0.39614	standard
2.41791	0.0249881	standard
2.69326	0.298939	standard
2.81732	0.894254	standard
2.82346	0.886328	standard
2.9257	0.647607	standard
2.97015	0.64543	standard
3.05775	0.205847	standard
3.10183	0.232024	standard
3.24821	0.257041	standard
3.29247	0.317846	standard
3.31173	0.327731	standard
3.33933	0.350456	standard
3.35498	0.365005	standard
3.38167	0.345861	standard
3.40117	0.312288	standard
3.44556	0.263535	standard
4.36438	0.280189	standard
4.40841	0.261316	standard
4.44361	0.627854	standard
4.48693	0.634368	standard
4.54963	0.496256	standard
4.58718	0.447612	standard
4.59484	0.441704	standard
4.61874	0.23097	standard
4.66646	0.196056	standard
4.6734	0.192488	standard
1.32093	0.0622372	standard
1.33207	0.076557	standard
1.36577	0.291344	standard
1.40144	0.594652	standard
1.43688	0.559509	standard
1.46919	0.233477	standard
1.49433	0.124475	standard
1.5247	0.270788	standard
1.56201	0.530999	standard
1.5977	0.783665	standard
1.63342	0.613117	standard
1.67598	0.417917	standard
1.71255	0.313659	standard
1.749	0.216937	standard
1.78377	0.116247	standard
1.82142	0.0438255	standard
2.07633	0.0303242	standard
2.14938	0.650443	standard
2.18713	1.00001	standard
2.21812	0.40267	standard
2.2276	0.360315	standard
2.29938	0.0245804	standard
2.73617	0.397398	standard
2.80041	0.704495	standard
2.95576	0.492878	standard
2.97984	0.48754	standard
3.0217	0.277065	standard
3.04579	0.279616	standard
3.29743	0.221341	standard
3.32057	0.279452	standard
3.32918	0.293323	standard
3.34266	0.297715	standard
3.35183	0.30118	standard
3.36526	0.296829	standard
3.37386	0.276486	standard
3.39704	0.225176	standard
4.40109	0.313357	standard
4.4238	0.326873	standard
4.44074	0.500276	standard
4.46337	0.482668	standard
4.57082	0.373274	standard
4.59512	0.390215	standard
4.607	0.279731	standard
4.63229	0.23806	standard
1.35595	0.0923875	standard
1.37919	0.38121	standard
1.40399	0.71071	standard
1.42864	0.59638	standard
1.45275	0.193514	standard
1.49731	0.025099	standard
1.52744	0.0878717	standard
1.54712	0.271585	standard
1.57205	0.590577	standard
1.59592	0.842417	standard
1.6201	0.609862	standard
1.64405	0.205714	standard
1.66546	0.152076	standard
1.68911	0.293778	standard
1.71292	0.327853	standard
1.7369	0.252483	standard
1.76048	0.150601	standard
1.78506	0.0572142	standard
2.1115	0.0281746	standard
2.1605	0.615054	standard
2.18575	1.0	standard
2.20766	0.423832	standard
2.21315	0.391422	standard
2.26133	0.0263551	standard
2.74919	0.466218	standard
2.79267	0.689032	standard
2.96802	0.472164	standard
2.98434	0.471529	standard
3.01205	0.323475	standard
3.02827	0.322407	standard
3.31409	0.22633	standard
3.32961	0.28277	standard
3.33527	0.299942	standard
3.34424	0.302948	standard
3.35043	0.302943	standard
3.3594	0.299919	standard
3.36505	0.282732	standard
3.38057	0.226263	standard
4.41269	0.346502	standard
4.4279	0.373686	standard
4.4391	0.488232	standard
4.45429	0.470149	standard
4.57945	0.362366	standard
4.59615	0.391598	standard
4.60392	0.317294	standard
4.62089	0.268315	standard
1.36797	0.109433	standard
1.38624	0.450168	standard
1.40509	0.788621	standard
1.42388	0.624939	standard
1.44247	0.195651	standard
1.52166	0.0183061	standard
1.54235	0.0935171	standard
1.55825	0.299792	standard
1.57706	0.663873	standard
1.59501	0.901813	standard
1.61327	0.638836	standard
1.63103	0.209949	standard
1.64931	0.0377394	standard
1.67793	0.124047	standard
1.69587	0.282379	standard
1.71363	0.33363	standard
1.73169	0.271023	standard
1.74942	0.170518	standard
1.76773	0.0652004	standard
2.12954	0.0272503	standard
2.16636	0.597778	standard
2.18535	1.00001	standard
2.20209	0.433121	standard
2.20594	0.404954	standard
2.24224	0.0271806	standard
2.75541	0.516215	standard
2.78823	0.692535	standard
2.97464	0.47057	standard
2.98692	0.471905	standard
3.00763	0.355555	standard
3.0199	0.35285	standard
3.32239	0.230667	standard
3.33406	0.288767	standard
3.33827	0.306193	standard
3.34499	0.308536	standard
3.34967	0.308534	standard
3.3564	0.306182	standard
3.36061	0.288751	standard
3.37227	0.230637	standard
4.41828	0.374392	standard
4.42976	0.404109	standard
4.43811	0.493767	standard
4.44956	0.471367	standard
4.58409	0.365878	standard
4.59668	0.400518	standard
4.6025	0.340075	standard
4.61535	0.291615	standard
1.37558	0.122711	standard
1.39051	0.495733	standard
1.40566	0.833156	standard
1.42079	0.639464	standard
1.43581	0.197912	standard
1.55141	0.0970446	standard
1.56501	0.317913	standard
1.57992	0.700544	standard
1.59445	0.927013	standard
1.60911	0.636235	standard
1.62315	0.208937	standard
1.63861	0.0349877	standard
1.65546	0.0157196	standard
1.68578	0.117286	standard
1.7002	0.27751	standard
1.71436	0.338207	standard
1.72885	0.285326	standard
1.74304	0.185632	standard
1.75764	0.071319	standard
2.14049	0.0264893	standard
2.16996	0.586134	standard
2.18516	1.0	standard
2.1987	0.439617	standard
2.20164	0.414213	standard
2.23076	0.0278718	standard
2.75911	0.549959	standard
2.7854	0.693727	standard
2.97872	0.468818	standard
2.98856	0.471527	standard
3.0051	0.375506	standard
3.01494	0.372204	standard
3.32738	0.233144	standard
3.33671	0.291848	standard
3.34008	0.309466	standard
3.34546	0.311837	standard
3.3492	0.311836	standard
3.35459	0.309461	standard
3.35795	0.291839	standard
3.36729	0.233128	standard
4.42165	0.39207	standard
4.43079	0.422947	standard
4.43747	0.496353	standard
4.44664	0.471055	standard
4.58696	0.364969	standard
4.59705	0.405938	standard
4.60178	0.355709	standard
4.61204	0.304244	standard
1.38075	0.133984	standard
1.39333	0.524289	standard
1.40598	0.858469	standard
1.41863	0.645338	standard
1.4312	0.197823	standard
1.55758	0.0995915	standard
1.56947	0.331858	standard
1.58175	0.703784	standard
1.59404	0.920033	standard
1.60645	0.616683	standard
1.61782	0.198025	standard
1.63147	0.0344555	standard
1.64515	0.0138874	standard
1.69113	0.113772	standard
1.70319	0.273456	standard
1.71498	0.339573	standard
1.72709	0.294466	standard
1.7389	0.19668	standard
1.75105	0.0758747	standard
2.14781	0.0258836	standard
2.1724	0.584166	standard
2.18508	1.0	standard
2.19637	0.441858	standard
2.19882	0.41671	standard
2.22314	0.028468	standard
2.76149	0.567188	standard
2.78344	0.697046	standard
2.98155	0.467213	standard
2.98976	0.470302	standard
3.00346	0.389031	standard
3.01172	0.384663	standard
3.33074	0.234276	standard
3.33855	0.294336	standard
3.34132	0.311852	standard
3.3458	0.312756	standard
3.34896	0.312755	standard
3.35345	0.311849	standard
3.35621	0.294332	standard
3.36403	0.234267	standard
4.42382	0.403394	standard
4.43147	0.435074	standard
4.43702	0.496829	standard
4.44466	0.470187	standard
4.58887	0.37052	standard
4.59734	0.410574	standard
4.6012	0.362395	standard
4.60986	0.314723	standard
1.38455	0.140891	standard
1.39533	0.543277	standard
1.40619	0.87223	standard
1.41704	0.646644	standard
1.42787	0.197132	standard
1.56206	0.0989018	standard
1.57257	0.330318	standard
1.58311	0.681986	standard
1.59383	0.875862	standard
1.60459	0.578507	standard
1.6133	0.181144	standard
1.62628	0.0336678	standard
1.63784	0.0132151	standard
1.69506	0.110403	standard
1.7054	0.270456	standard
1.71551	0.340339	standard
1.72588	0.302651	standard
1.736	0.204793	standard
1.74641	0.0797745	standard
2.1531	0.0254217	standard
2.17413	0.584372	standard
2.18503	1.0001	standard
2.19468	0.444685	standard
2.19687	0.418532	standard
2.21767	0.0292472	standard
2.76319	0.594858	standard
2.78201	0.702436	standard
2.98353	0.465019	standard
2.99055	0.468443	standard
3.00237	0.398226	standard
3.00939	0.394013	standard
3.33307	0.234702	standard
3.33977	0.294875	standard
3.34213	0.312432	standard
3.34598	0.313339	standard
3.34869	0.313338	standard
3.35253	0.31243	standard
3.3549	0.294872	standard
3.3616	0.234696	standard
4.42541	0.411072	standard
4.43196	0.443598	standard
4.43668	0.497229	standard
4.44323	0.469125	standard
4.59024	0.373278	standard
4.59765	0.406731	standard
4.60088	0.370949	standard
4.60838	0.32759	standard
1.38602	0.145138	standard
1.39611	0.554825	standard
1.40626	0.881954	standard
1.4164	0.648981	standard
1.42648	0.198324	standard
1.56384	0.0974812	standard
1.57378	0.326059	standard
1.58375	0.666994	standard
1.59384	0.854963	standard
1.60397	0.563565	standard
1.61133	0.177992	standard
1.61342	0.170196	standard
1.62419	0.0334776	standard
1.63495	0.0131057	standard
1.69665	0.109899	standard
1.70629	0.270889	standard
1.71572	0.342119	standard
1.72541	0.307055	standard
1.73484	0.208888	standard
1.74457	0.0816413	standard
2.15523	0.0253707	standard
2.17485	0.580928	standard
2.185	1.00008	standard
2.194	0.444737	standard
2.19607	0.419061	standard
2.2155	0.0297415	standard
2.7639	0.584113	standard
2.7814	0.682108	standard
2.98432	0.465284	standard
2.99095	0.468973	standard
3.00187	0.403046	standard
3.0085	0.398598	standard
3.334	0.235504	standard
3.3403	0.297567	standard
3.34245	0.314868	standard
3.34604	0.313533	standard
3.34862	0.313533	standard
3.35221	0.314866	standard
3.35437	0.297565	standard
3.36067	0.235499	standard
4.426	0.415645	standard
4.43208	0.446595	standard
4.43658	0.497731	standard
4.44263	0.470404	standard
4.59093	0.364035	standard
4.5976	0.415179	standard
4.60078	0.372274	standard
4.60774	0.331225	standard
1.38735	0.147706	standard
1.39681	0.560636	standard
1.40631	0.886183	standard
1.41583	0.648612	standard
1.4253	0.19694	standard
1.56537	0.0945626	standard
1.57483	0.314958	standard
1.58438	0.641941	standard
1.59397	0.822931	standard
1.60344	0.543083	standard
1.60957	0.177788	standard
1.6125	0.16415	standard
1.62234	0.0333109	standard
1.63242	0.0129373	standard
1.69802	0.108801	standard
1.70709	0.26911	standard
1.71592	0.343104	standard
1.725	0.30884	standard
1.73386	0.211947	standard
1.74295	0.0829714	standard
2.15707	0.0251364	standard
2.17546	0.582997	standard
2.18498	1.00002	standard
2.19343	0.442127	standard
2.19542	0.415956	standard
2.21359	0.0301824	standard
2.76444	0.588233	standard
2.78096	0.680335	standard
2.98502	0.462976	standard
2.99125	0.466712	standard
3.00158	0.405316	standard
3.00771	0.400938	standard
3.33484	0.234999	standard
3.34073	0.296377	standard
3.34277	0.313728	standard
3.34613	0.313143	standard
3.34853	0.313143	standard
3.3519	0.313726	standard
3.35394	0.296375	standard
3.35983	0.234995	standard
4.4265	0.416672	standard
4.43225	0.447968	standard
4.43648	0.495915	standard
4.44214	0.468586	standard
4.59146	0.36354	standard
4.59778	0.406183	standard
4.60067	0.374344	standard
4.60716	0.32875	standard
1.38952	0.15363	standard
1.39796	0.576102	standard
1.4064	0.900666	standard
1.41486	0.65375	standard
1.42327	0.198255	standard
1.56792	0.0886342	standard
1.57668	0.286882	standard
1.58585	0.610785	standard
1.59424	0.792753	standard
1.60256	0.522777	standard
1.61069	0.158841	standard
1.61927	0.0329355	standard
1.6282	0.0128017	standard
1.70036	0.108523	standard
1.7084	0.270303	standard
1.71625	0.345441	standard
1.72435	0.316785	standard
1.73221	0.220427	standard
1.74028	0.0861601	standard
2.16019	0.0246701	standard
2.17648	0.58508	standard
2.18496	1.00002	standard
2.19241	0.44035	standard
2.19431	0.414035	standard
2.21042	0.0306703	standard
2.76542	0.608124	standard
2.78008	0.692106	standard
2.9862	0.463176	standard
2.99174	0.46715	standard
3.00088	0.411717	standard
3.00642	0.407111	standard
3.3363	0.236242	standard
3.34148	0.295224	standard
3.34336	0.313186	standard
3.34635	0.316338	standard
3.34841	0.316337	standard
3.35141	0.313185	standard
3.35329	0.295223	standard
3.35846	0.236239	standard
4.42739	0.422424	standard
4.43255	0.455993	standard
4.43618	0.498205	standard
4.44135	0.468187	standard
4.59217	0.36857	standard
4.5979	0.412756	standard
4.60041	0.375561	standard
4.60625	0.333483	standard
1.39045	0.156454	standard
1.39843	0.581943	standard
1.40643	0.9049	standard
1.41444	0.653469	standard
1.42245	0.197119	standard
1.56897	0.0885173	standard
1.57745	0.273489	standard
1.58642	0.602456	standard
1.59431	0.787861	standard
1.59852	0.392987	standard
1.60219	0.518299	standard
1.60982	0.158282	standard
1.61795	0.0329204	standard
1.6264	0.012806	standard
1.70138	0.108307	standard
1.70899	0.270285	standard
1.71642	0.346567	standard
1.72407	0.318387	standard
1.73152	0.221706	standard
1.73917	0.0868675	standard
2.1615	0.0243301	standard
2.16993	0.0637609	standard
2.17692	0.585526	standard
2.18494	1.00009	standard
2.192	0.439725	standard
2.1938	0.413323	standard
2.20909	0.0309812	standard
2.76586	0.621493	standard
2.77973	0.702547	standard
2.9867	0.463508	standard
2.99194	0.467536	standard
3.00063	0.414172	standard
3.00583	0.410468	standard
3.33685	0.23649	standard
3.34183	0.299054	standard
3.34353	0.316425	standard
3.34636	0.314709	standard
3.3484	0.314709	standard
3.35124	0.316424	standard
3.35293	0.299053	standard
3.35791	0.236488	standard
4.42778	0.425256	standard
4.43265	0.457268	standard
4.43619	0.49825	standard
4.44095	0.469747	standard
4.59263	0.361367	standard
4.59795	0.410981	standard
4.60049	0.388792	standard
4.60579	0.328457	standard
1.39126	0.158458	standard
1.39885	0.589189	standard
1.40647	0.9113	standard
1.41408	0.654885	standard
1.42164	0.197559	standard
1.5699	0.0846108	standard
1.57851	0.253597	standard
1.58691	0.599025	standard
1.59441	0.780739	standard
1.60183	0.512132	standard
1.60904	0.156199	standard
1.61677	0.0328796	standard
1.62484	0.0127362	standard
1.70226	0.108014	standard
1.70951	0.270312	standard
1.71656	0.348491	standard
1.72385	0.320966	standard
1.73092	0.22539	standard
1.73819	0.0883634	standard
2.1627	0.0243841	standard
2.17066	0.063848	standard
2.17734	0.586528	standard
2.18493	1.0002	standard
2.19163	0.439085	standard
2.19338	0.413084	standard
2.20791	0.0312216	standard
2.76626	0.610725	standard
2.77943	0.686136	standard
2.9872	0.463189	standard
2.99214	0.467279	standard
3.00038	0.417056	standard
3.00533	0.412397	standard
3.33736	0.2368	standard
3.34202	0.296485	standard
3.34371	0.314332	standard
3.3464	0.316745	standard
3.34827	0.316745	standard
3.35096	0.314332	standard
3.35264	0.296484	standard
3.35731	0.236798	standard
4.42818	0.42751	standard
4.43275	0.459753	standard
4.43609	0.498147	standard
4.44065	0.468977	standard
4.59292	0.366419	standard
4.59804	0.41159	standard
4.60034	0.385635	standard
4.60551	0.334438	standard
1.39267	0.161962	standard
1.39959	0.599764	standard
1.40651	0.921399	standard
1.41344	0.656377	standard
1.42035	0.196006	standard
1.57153	0.0794588	standard
1.57847	0.214438	standard
1.5806	0.240987	standard
1.58768	0.596351	standard
1.59133	0.445416	standard
1.59448	0.785073	standard
1.60123	0.511095	standard
1.60779	0.156009	standard
1.61479	0.0329155	standard
1.62209	0.012741	standard
1.70379	0.107709	standard
1.71037	0.271035	standard
1.7168	0.351421	standard
1.72343	0.327467	standard
1.72987	0.232668	standard
1.73644	0.091133	standard
2.16468	0.0236713	standard
2.17202	0.0643238	standard
2.178	0.595415	standard
2.18491	1.00025	standard
2.19098	0.437533	standard
2.19262	0.411313	standard
2.20583	0.031574	standard
2.76681	0.616864	standard
2.77879	0.685748	standard
2.98799	0.46252	standard
2.99254	0.466828	standard
2.99999	0.421616	standard
3.00444	0.416861	standard
3.33825	0.237167	standard
3.34252	0.298042	standard
3.34402	0.315746	standard
3.34647	0.31666	standard
3.34819	0.31666	standard
3.35064	0.315745	standard
3.35215	0.298041	standard
3.35641	0.237165	standard
4.42872	0.429377	standard
4.43295	0.465072	standard
4.43589	0.500235	standard
4.44006	0.468942	standard
4.59345	0.365888	standard
4.59817	0.412999	standard
4.60022	0.389677	standard
4.60493	0.337127	standard
1.3949	0.165904	standard
1.40072	0.607672	standard
1.40658	0.921898	standard
1.41245	0.648488	standard
1.41827	0.192264	standard
1.57401	0.0841724	standard
1.57968	0.208051	standard
1.58492	0.344625	standard
1.58893	0.635189	standard
1.59466	0.822185	standard
1.60036	0.523682	standard
1.60569	0.153079	standard
1.61165	0.0328701	standard
1.61785	0.0126799	standard
1.70619	0.108362	standard
1.71179	0.273105	standard
1.71721	0.357243	standard
1.72284	0.335551	standard
1.72828	0.240706	standard
1.73383	0.0944576	standard
2.16784	0.0226918	standard
2.17387	0.0639357	standard
2.17906	0.591468	standard
2.18488	1.00006	standard
2.19	0.426974	standard
2.1915	0.400029	standard
2.20259	0.0324187	standard
2.76779	0.645291	standard
2.77792	0.668802	standard
2.98918	0.464394	standard
2.99304	0.468814	standard
2.99939	0.430284	standard
3.00315	0.425517	standard
3.33963	0.238849	standard
3.34329	0.303608	standard
3.3445	0.320711	standard
3.34658	0.317152	standard
3.34809	0.317152	standard
3.35016	0.32071	standard
3.35137	0.303607	standard
3.35504	0.238848	standard
4.42966	0.439525	standard
4.43314	0.472316	standard
4.43569	0.501474	standard
4.43927	0.470666	standard
4.59428	0.376608	standard
4.59834	0.409381	standard
4.59997	0.390252	standard
4.60405	0.351003	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

Biotin

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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