L-lysine

Simulation outputs:

	Parameter	Value
	Field strength	499.84(MHz)
	RMSD of the fit	0.01184
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1
	pKa	2.16
	pKa	9.06
	pKa	10.54
	Note 1	used matrix from 914(600MHz)

Sample description:

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

Show/Hide Spin System Matrix

Spin System Matrix

	19	15	16	11	12	13	14	17	18
19	3.745	6.369	5.58	0	0	0	0	0	0
15	0	1.881	-19.821	11.652	4.66	0	0	0	0
16	0	0	1.909	4.66	11.652	0	0	0	0
11	0	0	0	1.499	-13.131	10.035	5.218	0	0
12	0	0	0	0	1.432	5.218	10.035	0	0
13	0	0	0	0	0	1.71	-15.088	7.589	7.589
14	0	0	0	0	0	0	1.723	7.589	7.589
17	0	0	0	0	0	0	0	3.012	-16.0
18	0	0	0	0	0	0	0	0	3.012

Spectra

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

PPM	Amplitude	Peak Type
1.38368	0.020647	standard
1.39728	0.0485584	standard
1.40047	0.0445697	standard
1.41034	0.0790155	standard
1.41626	0.0846573	standard
1.42198	0.113986	standard
1.42999	0.12764	standard
1.43372	0.126565	standard
1.44174	0.148935	standard
1.44783	0.111453	standard
1.45543	0.122276	standard
1.46067	0.12654	standard
1.46941	0.118629	standard
1.47315	0.136552	standard
1.48635	0.146224	standard
1.49358	0.106938	standard
1.4986	0.131327	standard
1.50138	0.125179	standard
1.50586	0.126231	standard
1.51212	0.0911051	standard
1.51779	0.100753	standard
1.53035	0.0661625	standard
1.54467	0.0314805	standard
1.56051	0.00425204	standard
1.57353	0.00301138	standard
1.65536	0.00769962	standard
1.66986	0.0190766	standard
1.68621	0.135093	standard
1.70141	0.391295	standard
1.71651	0.494804	standard
1.73152	0.308071	standard
1.74577	0.094442	standard
1.74837	0.0953857	standard
1.76454	0.0161464	standard
1.77875	0.00674012	standard
1.82949	0.017516	standard
1.84165	0.0391078	standard
1.85412	0.0326403	standard
1.86909	0.148554	standard
1.88101	0.303872	standard
1.88946	0.36543	standard
1.90091	0.394128	standard
1.9105	0.27816	standard
1.92206	0.13289	standard
1.93793	0.0286077	standard
1.94967	0.0320543	standard
1.9617	0.013951	standard
2.99661	0.514182	standard
3.01176	1.00016	standard
3.02686	0.514295	standard
3.7336	0.264867	standard
3.74552	0.489254	standard
3.75744	0.264852	standard
0.96334	0.0153721	standard
1.10121	0.0359601	standard
1.22936	0.0776691	standard
1.65174	1.0	standard
2.15576	0.107323	standard
2.85497	0.338583	standard
3.01487	0.547447	standard
3.61464	0.206764	standard
3.75091	0.316802	standard
3.84788	0.162472	standard
1.13791	0.0303121	standard
1.24394	0.0748561	standard
1.31724	0.157364	standard
1.42581	0.312813	standard
1.58518	1.0	standard
1.63101	0.895668	standard
1.74447	0.854684	standard
1.84385	0.807174	standard
1.94615	0.477981	standard
2.07261	0.18865	standard
2.89995	0.541183	standard
3.01422	0.876907	standard
3.13314	0.345857	standard
3.65401	0.322817	standard
3.7497	0.527194	standard
3.83508	0.246663	standard
1.2237	0.0402162	standard
1.30639	0.111164	standard
1.35964	0.213231	standard
1.43846	0.395524	standard
1.55072	0.585661	standard
1.59936	0.718979	standard
1.63405	0.700311	standard
1.68591	0.534028	standard
1.74572	0.618828	standard
1.78091	0.609205	standard
1.8499	0.747253	standard
1.92975	0.481435	standard
2.0322	0.203405	standard
2.92545	0.636351	standard
3.01447	1.0	standard
3.10414	0.429786	standard
3.6751	0.362009	standard
3.74851	0.586307	standard
3.81697	0.280615	standard
1.25182	0.042442	standard
1.32568	0.121344	standard
1.37412	0.221322	standard
1.44368	0.394031	standard
1.5416	0.462258	standard
1.59612	0.545223	standard
1.64306	0.570182	standard
1.70267	0.478379	standard
1.7244	0.521174	standard
1.73683	0.524169	standard
1.7912	0.599909	standard
1.85637	0.659675	standard
1.92745	0.43616	standard
1.94323	0.425746	standard
2.0176	0.206435	standard
2.93401	0.622433	standard
3.01482	1.00001	standard
3.09428	0.439885	standard
3.68224	0.349499	standard
3.74798	0.5696	standard
3.80958	0.272441	standard
1.14793	0.00678412	standard
1.27372	0.0450911	standard
1.34094	0.131882	standard
1.38652	0.224458	standard
1.40145	0.222901	standard
1.44692	0.393044	standard
1.47167	0.29558	standard
1.52854	0.431229	standard
1.5854	0.49136	standard
1.61105	0.392351	standard
1.6521	0.524448	standard
1.73408	0.49596	standard
1.7994	0.610656	standard
1.86054	0.698989	standard
1.92557	0.414393	standard
1.94045	0.426658	standard
2.00618	0.210792	standard
2.94112	0.622679	standard
3.01476	1.0	standard
3.08661	0.443884	standard
3.68814	0.340926	standard
3.74737	0.578186	standard
3.80352	0.271773	standard
1.30077	0.0100694	standard
1.34497	0.029451	standard
1.36558	0.0542241	standard
1.39942	0.169124	standard
1.44087	0.286381	standard
1.47804	0.340114	standard
1.4949	0.202801	standard
1.51507	0.241704	standard
1.54781	0.122539	standard
1.56788	0.0523164	standard
1.61111	0.0491564	standard
1.64555	0.183767	standard
1.68192	0.475473	standard
1.71861	0.541573	standard
1.7554	0.333492	standard
1.79361	0.119031	standard
1.84307	0.305408	standard
1.87356	0.529597	standard
1.89097	0.328049	standard
1.9053	0.323583	standard
1.9195	0.397621	standard
1.95098	0.188605	standard
1.99587	0.0152931	standard
2.02516	0.010516	standard
2.97476	0.547809	standard
3.01236	1.00001	standard
3.04944	0.479537	standard
3.71608	0.275062	standard
3.74576	0.516647	standard
3.77527	0.272761	standard
1.3482	0.014241	standard
1.37631	0.0354911	standard
1.3924	0.0655578	standard
1.40234	0.0699057	standard
1.41388	0.124081	standard
1.42016	0.135202	standard
1.43086	0.141345	standard
1.4342	0.138701	standard
1.44358	0.222235	standard
1.45551	0.205388	standard
1.46749	0.183595	standard
1.48176	0.247518	standard
1.49777	0.157912	standard
1.50808	0.205171	standard
1.52383	0.0857837	standard
1.53158	0.102992	standard
1.55062	0.0559627	standard
1.57483	0.0320427	standard
1.59372	0.009253	standard
1.60031	0.00871938	standard
1.61767	0.0099115	standard
1.64224	0.017066	standard
1.66732	0.174784	standard
1.69216	0.488036	standard
1.71694	0.588931	standard
1.74186	0.361837	standard
1.76776	0.108583	standard
1.79148	0.0209801	standard
1.81626	0.0236076	standard
1.83866	0.0295121	standard
1.86121	0.220753	standard
1.87918	0.436672	standard
1.89805	0.325332	standard
1.90967	0.329715	standard
1.91333	0.313867	standard
1.93019	0.172055	standard
1.93553	0.157668	standard
1.95576	0.022642	standard
1.97615	0.0155554	standard
2.00202	0.00759063	standard
2.98676	0.522356	standard
3.0119	1.00002	standard
3.03697	0.506795	standard
3.72576	0.266242	standard
3.74558	0.499089	standard
3.7654	0.266106	standard
1.37067	0.0179436	standard
1.38827	0.0438116	standard
1.39097	0.0420431	standard
1.40438	0.0736633	standard
1.41098	0.0800732	standard
1.41926	0.112954	standard
1.42662	0.131592	standard
1.4336	0.114975	standard
1.44387	0.190598	standard
1.46603	0.217445	standard
1.48314	0.220846	standard
1.50338	0.140783	standard
1.50684	0.145278	standard
1.51623	0.0897798	standard
1.52268	0.0999691	standard
1.53797	0.0673623	standard
1.55615	0.0310975	standard
1.57112	0.00636704	standard
1.58964	0.00419604	standard
1.64123	0.007257	standard
1.65915	0.0177082	standard
1.67909	0.159269	standard
1.69787	0.450303	standard
1.71663	0.551647	standard
1.73533	0.341234	standard
1.75529	0.102224	standard
1.77598	0.0148248	standard
1.79389	0.00710304	standard
1.81518	0.0151236	standard
1.8311	0.0323542	standard
1.8471	0.0301842	standard
1.86477	0.166329	standard
1.87168	0.195515	standard
1.88016	0.318865	standard
1.88752	0.388881	standard
1.89648	0.301587	standard
1.90338	0.397159	standard
1.91192	0.264547	standard
1.9198	0.176365	standard
1.92702	0.141486	standard
1.94555	0.0250435	standard
1.96049	0.0234303	standard
1.97662	0.0104625	standard
2.99289	0.516199	standard
3.0118	1.00003	standard
3.03067	0.510066	standard
3.73063	0.264692	standard
3.74554	0.491501	standard
3.7604	0.264783	standard
1.38369	0.0206547	standard
1.39728	0.0485554	standard
1.40047	0.0445557	standard
1.41035	0.079043	standard
1.41627	0.084786	standard
1.42198	0.11399	standard
1.42999	0.127617	standard
1.43373	0.126548	standard
1.44175	0.149055	standard
1.44783	0.111353	standard
1.45544	0.122122	standard
1.46066	0.12644	standard
1.46942	0.118648	standard
1.47314	0.136506	standard
1.48636	0.146072	standard
1.49361	0.106986	standard
1.4986	0.131346	standard
1.50139	0.125219	standard
1.50585	0.126172	standard
1.5121	0.0909352	standard
1.51778	0.100687	standard
1.53035	0.0661387	standard
1.54467	0.0314726	standard
1.56049	0.004256	standard
1.57353	0.00300938	standard
1.65538	0.00770356	standard
1.66985	0.0190929	standard
1.68621	0.134601	standard
1.70141	0.391252	standard
1.71651	0.494743	standard
1.7315	0.308942	standard
1.74577	0.094402	standard
1.74837	0.0953644	standard
1.76453	0.0161542	standard
1.7787	0.006745	standard
1.82949	0.0175191	standard
1.84165	0.0391124	standard
1.85413	0.0326445	standard
1.86909	0.148516	standard
1.88101	0.30379	standard
1.88947	0.365333	standard
1.90091	0.394064	standard
1.9105	0.278119	standard
1.92205	0.132899	standard
1.93793	0.0286093	standard
1.94965	0.0320149	standard
1.96168	0.0139568	standard
2.99661	0.514172	standard
3.01176	1.00016	standard
3.02685	0.514316	standard
3.7336	0.264858	standard
3.74552	0.489236	standard
3.75744	0.264843	standard
1.39212	0.0228261	standard
1.40309	0.0500242	standard
1.40662	0.0454332	standard
1.40863	0.0450762	standard
1.4141	0.0819134	standard
1.41945	0.087395	standard
1.42374	0.11883	standard
1.43129	0.125356	standard
1.43361	0.129839	standard
1.44005	0.137316	standard
1.44076	0.137484	standard
1.44666	0.100174	standard
1.44853	0.0967501	standard
1.45667	0.105147	standard
1.46316	0.0632559	standard
1.46658	0.0705817	standard
1.47345	0.0935079	standard
1.47771	0.0787456	standard
1.48037	0.080428	standard
1.48825	0.133471	standard
1.49809	0.128937	standard
1.50053	0.118582	standard
1.50511	0.122554	standard
1.5097	0.0906231	standard
1.51483	0.101397	standard
1.52091	0.0504951	standard
1.52562	0.0629272	standard
1.53699	0.0316261	standard
1.55102	0.00355338	standard
1.56325	0.00234704	standard
1.66482	0.00849029	standard
1.6771	0.0202048	standard
1.69005	0.113454	standard
1.69244	0.110598	standard
1.70361	0.323415	standard
1.71641	0.4311	standard
1.72882	0.271176	standard
1.74012	0.0903294	standard
1.74359	0.0915752	standard
1.75671	0.0181367	standard
1.76876	0.00733328	standard
1.8389	0.0205731	standard
1.84878	0.0431764	standard
1.85895	0.0351659	standard
1.86607	0.0414353	standard
1.87193	0.137918	standard
1.88196	0.351245	standard
1.89192	0.386206	standard
1.89906	0.370935	standard
1.90925	0.335856	standard
1.91889	0.128051	standard
1.92432	0.0428957	standard
1.93276	0.03254	standard
1.94225	0.0391645	standard
1.95193	0.0173423	standard
2.99907	0.513413	standard
3.01172	1.00037	standard
3.02432	0.514011	standard
3.73557	0.264485	standard
3.74552	0.481295	standard
3.75546	0.264496	standard
1.39806	0.024765	standard
1.40719	0.0513911	standard
1.4108	0.0467748	standard
1.4128	0.0490241	standard
1.41673	0.0808245	standard
1.42165	0.0887521	standard
1.42517	0.121515	standard
1.43329	0.13006	standard
1.4388	0.130683	standard
1.43971	0.129936	standard
1.44557	0.10179	standard
1.45354	0.0944853	standard
1.46197	0.0547983	standard
1.46801	0.0464602	standard
1.47666	0.0849894	standard
1.48095	0.0740199	standard
1.48542	0.0921108	standard
1.48971	0.126882	standard
1.4963	0.130887	standard
1.50451	0.127079	standard
1.50795	0.09157	standard
1.51278	0.0995571	standard
1.51708	0.0527612	standard
1.51973	0.052509	standard
1.5222	0.0605306	standard
1.5315	0.0318395	standard
1.5442	0.00314212	standard
1.67158	0.00944903	standard
1.68223	0.0224552	standard
1.69311	0.105102	standard
1.69655	0.102553	standard
1.70452	0.269114	standard
1.70667	0.267963	standard
1.71634	0.370086	standard
1.72573	0.238461	standard
1.73611	0.0896254	standard
1.74016	0.0900745	standard
1.75121	0.0200023	standard
1.7617	0.00820602	standard
1.84554	0.0236559	standard
1.85388	0.047397	standard
1.86247	0.0391692	standard
1.86892	0.046881	standard
1.87386	0.131436	standard
1.88249	0.246442	standard
1.88509	0.210597	standard
1.88864	0.217207	standard
1.89098	0.231745	standard
1.89365	0.312708	standard
1.897	0.301948	standard
1.90138	0.243123	standard
1.90612	0.196844	standard
1.90862	0.249498	standard
1.91682	0.125168	standard
1.92165	0.048733	standard
1.92908	0.0382021	standard
1.93697	0.0457207	standard
1.94509	0.0207685	standard
3.00084	0.513551	standard
3.01171	1.0002	standard
3.02253	0.513731	standard
3.73696	0.264455	standard
3.74549	0.479638	standard
3.75397	0.264627	standard
1.40044	0.0254588	standard
1.40876	0.0519041	standard
1.4124	0.0473003	standard
1.41451	0.051345	standard
1.4178	0.0803745	standard
1.42245	0.0896524	standard
1.42575	0.120373	standard
1.43308	0.130025	standard
1.43851	0.1282	standard
1.43943	0.12806	standard
1.44498	0.104817	standard
1.45229	0.0920884	standard
1.45999	0.0514798	standard
1.47006	0.0433095	standard
1.47802	0.0825517	standard
1.48226	0.0735201	standard
1.48577	0.0922001	standard
1.49035	0.125295	standard
1.49655	0.132952	standard
1.50414	0.128966	standard
1.50723	0.092284	standard
1.50959	0.0896958	standard
1.51187	0.097009	standard
1.51558	0.0537747	standard
1.51802	0.0513743	standard
1.52081	0.0597107	standard
1.52932	0.0319965	standard
1.5415	0.00292237	standard
1.6743	0.00996972	standard
1.68424	0.0235984	standard
1.69434	0.102641	standard
1.69815	0.100989	standard
1.70485	0.251022	standard
1.70786	0.248653	standard
1.7161	0.338758	standard
1.72455	0.229132	standard
1.72846	0.216033	standard
1.73445	0.0909283	standard
1.73884	0.089588	standard
1.74907	0.0211914	standard
1.75889	0.00867741	standard
1.84817	0.0251735	standard
1.85589	0.0489457	standard
1.86383	0.0413257	standard
1.8701	0.0495541	standard
1.8746	0.129092	standard
1.88255	0.222464	standard
1.88818	0.234823	standard
1.89465	0.337282	standard
1.89585	0.329209	standard
1.90174	0.251228	standard
1.90401	0.196126	standard
1.90846	0.231825	standard
1.916	0.123871	standard
1.92049	0.0517728	standard
1.92764	0.0416311	standard
1.93492	0.0486481	standard
1.94242	0.0225318	standard
3.00159	0.513465	standard
3.01169	1.0	standard
3.02177	0.513386	standard
3.73755	0.264328	standard
3.74548	0.476483	standard
3.75348	0.264017	standard
1.40245	0.0259575	standard
1.41017	0.0523628	standard
1.41381	0.047696	standard
1.41885	0.079802	standard
1.42319	0.0907026	standard
1.42619	0.119493	standard
1.43084	0.117413	standard
1.43294	0.130072	standard
1.43799	0.126677	standard
1.43894	0.125317	standard
1.4443	0.106041	standard
1.45112	0.088822	standard
1.4583	0.0497649	standard
1.47182	0.0425213	standard
1.47914	0.081457	standard
1.48345	0.0731854	standard
1.48611	0.0943482	standard
1.49083	0.123683	standard
1.49676	0.134689	standard
1.50377	0.130265	standard
1.50657	0.0929467	standard
1.50892	0.08963	standard
1.51108	0.0947006	standard
1.51417	0.056028	standard
1.51668	0.0507976	standard
1.51956	0.059494	standard
1.52743	0.032201	standard
1.53924	0.00286612	standard
1.67665	0.0104784	standard
1.68602	0.0248838	standard
1.69544	0.101002	standard
1.69956	0.101891	standard
1.70522	0.236344	standard
1.70872	0.239224	standard
1.71571	0.309713	standard
1.71702	0.307773	standard
1.72023	0.246973	standard
1.72373	0.226207	standard
1.72801	0.208723	standard
1.73297	0.0943091	standard
1.73764	0.089509	standard
1.74722	0.0224922	standard
1.75644	0.00915	standard
1.85044	0.026598	standard
1.85765	0.0508382	standard
1.86498	0.0438076	standard
1.87108	0.0520427	standard
1.87524	0.127337	standard
1.88261	0.210013	standard
1.88815	0.280475	standard
1.89529	0.417877	standard
1.90216	0.279183	standard
1.90831	0.223362	standard
1.91271	0.0739301	standard
1.91534	0.122878	standard
1.91956	0.0548299	standard
1.92635	0.0452673	standard
1.9331	0.0513373	standard
1.94006	0.0240895	standard
3.00222	0.513063	standard
3.01169	1.0	standard
3.02115	0.513098	standard
3.73805	0.264386	standard
3.74547	0.474903	standard
3.75296	0.263826	standard
1.40588	0.0275365	standard
1.41253	0.052943	standard
1.41618	0.0491881	standard
1.42042	0.07948	standard
1.4244	0.0928076	standard
1.42688	0.115871	standard
1.43107	0.117931	standard
1.43278	0.130208	standard
1.43755	0.124392	standard
1.44309	0.108181	standard
1.44922	0.0847223	standard
1.45553	0.0475599	standard
1.47472	0.0413053	standard
1.48115	0.0793766	standard
1.48719	0.0995681	standard
1.49167	0.120198	standard
1.4928	0.120253	standard
1.49714	0.134533	standard
1.49908	0.116314	standard
1.50316	0.128002	standard
1.50739	0.0898861	standard
1.50969	0.0910483	standard
1.5144	0.0509865	standard
1.51743	0.0590612	standard
1.52424	0.0321581	standard
1.68056	0.0112865	standard
1.68892	0.0271701	standard
1.69727	0.0989588	standard
1.70583	0.217915	standard
1.71033	0.238464	standard
1.71235	0.280028	standard
1.71421	0.275942	standard
1.71774	0.27184	standard
1.71837	0.271902	standard
1.72058	0.274316	standard
1.72719	0.197828	standard
1.73571	0.0896933	standard
1.74415	0.0247615	standard
1.75246	0.010051	standard
1.85421	0.0294368	standard
1.86054	0.0526142	standard
1.86699	0.0493861	standard
1.87271	0.0572197	standard
1.87622	0.12381	standard
1.88278	0.193366	standard
1.88918	0.264941	standard
1.89561	0.342687	standard
1.90194	0.288159	standard
1.90808	0.212059	standard
1.91425	0.121458	standard
1.91794	0.0604777	standard
1.92414	0.0526923	standard
1.93011	0.0565913	standard
1.93628	0.0272596	standard
3.00326	0.51354	standard
3.01169	1.0	standard
3.02008	0.513158	standard
3.73884	0.264076	standard
3.74549	0.471876	standard
3.75209	0.264341	standard
1.40728	0.0279981	standard
1.41351	0.0534394	standard
1.42116	0.0790805	standard
1.42484	0.0932397	standard
1.42717	0.1139	standard
1.43116	0.118531	standard
1.43273	0.130157	standard
1.43714	0.123249	standard
1.44258	0.107699	standard
1.44838	0.0845652	standard
1.45424	0.0463011	standard
1.47601	0.040978	standard
1.48204	0.0783389	standard
1.48777	0.101108	standard
1.49197	0.118891	standard
1.49318	0.119081	standard
1.49727	0.135449	standard
1.49913	0.117191	standard
1.5029	0.126122	standard
1.50716	0.0904907	standard
1.50904	0.0897802	standard
1.51328	0.052146	standard
1.51652	0.0585155	standard
1.52287	0.0324795	standard
1.68221	0.0117983	standard
1.69012	0.0282687	standard
1.69804	0.0983937	standard
1.70611	0.213155	standard
1.71242	0.28623	standard
1.71385	0.275159	standard
1.71883	0.269828	standard
1.72048	0.282055	standard
1.72686	0.195425	standard
1.73492	0.0897512	standard
1.74289	0.0259351	standard
1.75078	0.0105587	standard
1.8558	0.0308087	standard
1.86173	0.05375	standard
1.86775	0.0527704	standard
1.87337	0.0588802	standard
1.87662	0.122486	standard
1.88278	0.186596	standard
1.88848	0.223652	standard
1.89041	0.187288	standard
1.89427	0.254178	standard
1.89647	0.275402	standard
1.90232	0.246218	standard
1.90803	0.2071	standard
1.91375	0.121817	standard
1.91732	0.0628009	standard
1.9232	0.0558881	standard
1.92892	0.0589379	standard
1.93469	0.0285916	standard
3.00371	0.512728	standard
3.01169	1.0	standard
3.01965	0.512869	standard
3.73924	0.264255	standard
3.7455	0.470874	standard
3.7518	0.264139	standard
1.40857	0.0285206	standard
1.41441	0.0536376	standard
1.42013	0.0717287	standard
1.42181	0.0786515	standard
1.42521	0.094785	standard
1.42733	0.113716	standard
1.4312	0.117795	standard
1.43271	0.128754	standard
1.43694	0.123128	standard
1.44211	0.108126	standard
1.44762	0.0820481	standard
1.45314	0.0455471	standard
1.4771	0.0406311	standard
1.48284	0.0772403	standard
1.48825	0.102615	standard
1.4925	0.119978	standard
1.4932	0.119887	standard
1.49739	0.13475	standard
1.49908	0.117491	standard
1.50268	0.123742	standard
1.50666	0.0911116	standard
1.50852	0.088069	standard
1.51245	0.0526357	standard
1.51569	0.0591383	standard
1.52168	0.0326749	standard
1.68365	0.0122203	standard
1.6912	0.0294244	standard
1.69869	0.098021	standard
1.70636	0.209532	standard
1.71209	0.290997	standard
1.71354	0.284596	standard
1.7193	0.278647	standard
1.72073	0.291371	standard
1.72657	0.194447	standard
1.73413	0.0903339	standard
1.74174	0.0271351	standard
1.7492	0.011059	standard
1.85718	0.0320108	standard
1.86281	0.054634	standard
1.86854	0.0560549	standard
1.87397	0.0609155	standard
1.87701	0.121566	standard
1.88286	0.181943	standard
1.88817	0.215461	standard
1.89162	0.18178	standard
1.89366	0.237041	standard
1.89698	0.259604	standard
1.89941	0.171896	standard
1.90251	0.231444	standard
1.90796	0.205655	standard
1.91144	0.0776166	standard
1.91339	0.120828	standard
1.91673	0.0654433	standard
1.92235	0.0588019	standard
1.92779	0.06038	standard
1.9332	0.0299587	standard
3.00409	0.512613	standard
3.01169	1.0	standard
3.01923	0.513275	standard
3.73953	0.264311	standard
3.74548	0.472691	standard
3.7514	0.26447	standard
1.41075	0.0291899	standard
1.41593	0.0549886	standard
1.42097	0.0754863	standard
1.42286	0.0786884	standard
1.42763	0.111159	standard
1.42893	0.102629	standard
1.43142	0.117609	standard
1.43261	0.12642	standard
1.43654	0.122187	standard
1.44129	0.106869	standard
1.4463	0.080221	standard
1.45126	0.0446103	standard
1.47908	0.0408219	standard
1.48416	0.0765585	standard
1.48916	0.103528	standard
1.49285	0.117327	standard
1.49381	0.115886	standard
1.49758	0.132895	standard
1.49902	0.118004	standard
1.50247	0.118941	standard
1.50758	0.0861867	standard
1.50914	0.0796547	standard
1.51428	0.0590478	standard
1.5196	0.0329989	standard
1.6862	0.0132523	standard
1.69304	0.0314168	standard
1.69985	0.0985867	standard
1.70543	0.182255	standard
1.70678	0.205613	standard
1.71216	0.318161	standard
1.71363	0.300634	standard
1.71912	0.299599	standard
1.72047	0.306239	standard
1.72611	0.197383	standard
1.73293	0.0910351	standard
1.73985	0.0293059	standard
1.74663	0.0122596	standard
1.85964	0.03403	standard
1.86468	0.0571658	standard
1.86985	0.0611263	standard
1.875	0.0633213	standard
1.8776	0.119343	standard
1.88291	0.169472	standard
1.88775	0.20766	standard
1.8928	0.284243	standard
1.89791	0.309477	standard
1.90292	0.216702	standard
1.90783	0.198786	standard
1.91102	0.0786162	standard
1.91277	0.119557	standard
1.91578	0.0695449	standard
1.92089	0.0634429	standard
1.9259	0.0640728	standard
1.93083	0.0324631	standard
3.00475	0.513343	standard
3.01169	1.0	standard
3.01852	0.513947	standard
3.74003	0.264101	standard
3.74547	0.469102	standard
3.75091	0.264106	standard
1.41402	0.0309195	standard
1.4183	0.0554566	standard
1.42255	0.0809323	standard
1.42569	0.0941997	standard
1.42818	0.110724	standard
1.42976	0.105675	standard
1.43159	0.116669	standard
1.43244	0.121365	standard
1.43391	0.104247	standard
1.43575	0.120882	standard
1.43991	0.10137	standard
1.44427	0.0768401	standard
1.44839	0.0423739	standard
1.48206	0.0402471	standard
1.48628	0.0748578	standard
1.49054	0.103007	standard
1.49378	0.115514	standard
1.49471	0.117289	standard
1.49788	0.125704	standard
1.49904	0.117668	standard
1.50083	0.108666	standard
1.50212	0.116531	standard
1.5048	0.0933039	standard
1.50781	0.083791	standard
1.51205	0.0591007	standard
1.51643	0.0329257	standard
1.69006	0.0152811	standard
1.69589	0.0360662	standard
1.70165	0.0995576	standard
1.70758	0.232551	standard
1.71345	0.325891	standard
1.71918	0.317951	standard
1.72516	0.21534	standard
1.73106	0.093397	standard
1.73695	0.0341014	standard
1.74267	0.0142911	standard
1.86323	0.0378737	standard
1.86739	0.0590019	standard
1.87192	0.0714368	standard
1.87652	0.0690782	standard
1.87849	0.116458	standard
1.88299	0.156946	standard
1.88711	0.201845	standard
1.89152	0.170294	standard
1.89545	0.176086	standard
1.89915	0.205378	standard
1.90352	0.19803	standard
1.90779	0.184464	standard
1.91029	0.0816352	standard
1.91188	0.11763	standard
1.91439	0.0773823	standard
1.91882	0.0705927	standard
1.92302	0.0710523	standard
1.92716	0.036934	standard
3.00584	0.513428	standard
3.01169	1.0	standard
3.01748	0.512192	standard
3.74092	0.264472	standard
3.74548	0.459617	standard
3.75002	0.26466	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-lysine

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

Help