Guanosine

Simulation outputs:

	Parameter	Value
	Field strength	499.84(MHz)
	RMSD of the fit	0.00850
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
	Note 1	None

Sample description:

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

Show/Hide Spin System Matrix

Spin System Matrix

	23	27	26	25	24	21	22
23	7.849	0	0	0	0	0	0
27	0	5.869	6.876	0	0	0	0
26	0	0	4.796	5.2	0	0	0
25	0	0	0	4.404	2.6	0	0
24	0	0	0	0	4.265	3.289	2.526
21	0	0	0	0	0	3.811	-12.991
22	0	0	0	0	0	0	3.89

Spectra

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

PPM	Amplitude	Peak Type
3.79269	0.181717	standard
3.79922	0.181717	standard
3.81868	0.342705	standard
3.8252	0.343318	standard
3.87701	0.350974	standard
3.88202	0.352378	standard
3.903	0.187141	standard
3.90801	0.185294	standard
4.25664	0.148793	standard
4.26196	0.34196	standard
4.26804	0.346459	standard
4.27337	0.158406	standard
4.39576	0.274751	standard
4.40094	0.27147	standard
4.40615	0.30136	standard
4.41128	0.271153	standard
4.78425	0.264022	standard
4.79473	0.286939	standard
4.79797	0.297972	standard
4.80844	0.251085	standard
5.8623	0.504881	standard
5.87609	0.504882	standard
7.8492	1.0	standard
3.4797	0.00986713	standard
3.55885	0.0126551	standard
3.81729	0.600596	standard
3.8812	1.00001	standard
4.16367	0.162367	standard
4.2258	0.32977	standard
4.3039	0.499093	standard
4.43161	0.415019	standard
4.49264	0.25358	standard
4.65449	0.244425	standard
4.78492	0.165086	standard
4.82157	0.304817	standard
4.94595	0.183367	standard
5.79246	0.529006	standard
5.95958	0.386535	standard
7.8492	0.938261	standard
3.6007	0.0198211	standard
3.65122	0.022588	standard
3.81784	0.571761	standard
3.83568	0.623129	standard
3.87154	0.970897	standard
4.0517	0.0275912	standard
4.09416	0.0270231	standard
4.19631	0.158114	standard
4.23934	0.354433	standard
4.28593	0.362329	standard
4.3377	0.425145	standard
4.38147	0.155321	standard
4.42339	0.394921	standard
4.46547	0.266521	standard
4.69965	0.278682	standard
4.78476	0.207905	standard
4.8125	0.339785	standard
4.89655	0.22658	standard
5.81563	0.550469	standard
5.92882	0.44837	standard
7.8492	1.0	standard
3.65901	0.0302763	standard
3.69784	0.0330112	standard
3.82149	0.518617	standard
3.84417	0.628543	standard
3.86053	0.750883	standard
3.87391	0.6851	standard
4.00544	0.034938	standard
4.03754	0.0327844	standard
4.21317	0.153903	standard
4.24595	0.355815	standard
4.28165	0.358929	standard
4.31583	0.18722	standard
4.35505	0.307862	standard
4.38712	0.184682	standard
4.41883	0.370497	standard
4.45071	0.267046	standard
4.72275	0.277198	standard
4.78729	0.23304	standard
4.80782	0.33473	standard
4.87186	0.236976	standard
5.82821	0.541169	standard
5.91355	0.463738	standard
7.8492	1.0	standard
3.67826	0.0358498	standard
3.71297	0.0382606	standard
3.82259	0.500377	standard
3.84849	0.684596	standard
3.8565	0.749071	standard
3.8741	0.623471	standard
3.99035	0.040057	standard
4.01895	0.0382743	standard
4.21886	0.153237	standard
4.24812	0.355975	standard
4.28005	0.359153	standard
4.31045	0.176702	standard
4.36034	0.299234	standard
4.38894	0.196859	standard
4.41725	0.362792	standard
4.44565	0.267303	standard
4.73065	0.276034	standard
4.78819	0.24121	standard
4.80635	0.331854	standard
4.86355	0.23962	standard
5.83253	0.537539	standard
5.90849	0.468468	standard
7.8492	1.0	standard
3.69342	0.0416154	standard
3.72486	0.0445295	standard
3.82332	0.486049	standard
3.85256	0.8392	standard
3.87408	0.584588	standard
3.97844	0.0455363	standard
4.00418	0.0438619	standard
4.2234	0.152784	standard
4.24986	0.357031	standard
4.27872	0.356927	standard
4.30605	0.171262	standard
4.3646	0.294115	standard
4.39037	0.206543	standard
4.41594	0.355337	standard
4.44159	0.267506	standard
4.737	0.273816	standard
4.789	0.246706	standard
4.80524	0.328654	standard
4.8569	0.241536	standard
5.83602	0.534693	standard
5.90447	0.472254	standard
7.8492	1.0	standard
3.75879	0.0969005	standard
3.77485	0.101228	standard
3.82376	0.415309	standard
3.83983	0.45443	standard
3.86305	0.433151	standard
3.87584	0.455823	standard
3.92802	0.10238	standard
3.9408	0.101817	standard
4.24415	0.15211	standard
4.25739	0.351949	standard
4.27233	0.349534	standard
4.28582	0.158276	standard
4.38403	0.279558	standard
4.39699	0.248111	standard
4.40992	0.322351	standard
4.42282	0.269024	standard
4.76635	0.266505	standard
4.79248	0.271655	standard
4.80052	0.31229	standard
4.82664	0.248992	standard
5.85229	0.519595	standard
5.8866	0.489755	standard
7.8492	1.0	standard
3.77842	0.136022	standard
3.78919	0.138069	standard
3.82166	0.377826	standard
3.83253	0.397838	standard
3.87009	0.388718	standard
3.87849	0.405832	standard
3.91333	0.143716	standard
3.92178	0.143025	standard
4.25113	0.152416	standard
4.25993	0.348922	standard
4.26998	0.345735	standard
4.27888	0.156189	standard
4.39053	0.27634	standard
4.39921	0.262034	standard
4.40783	0.310244	standard
4.41641	0.270145	standard
4.77632	0.26304	standard
4.7937	0.278432	standard
4.79912	0.305377	standard
4.81647	0.252298	standard
5.85784	0.515033	standard
5.88075	0.494557	standard
7.8492	1.0	standard
3.78754	0.164623	standard
3.79564	0.164213	standard
3.81997	0.354113	standard
3.82807	0.36137	standard
3.87424	0.369089	standard
3.88053	0.373516	standard
3.90667	0.169545	standard
3.91296	0.167153	standard
4.25458	0.14787	standard
4.26119	0.342593	standard
4.26879	0.345551	standard
4.27544	0.159712	standard
4.39378	0.275256	standard
4.4003	0.268235	standard
4.40674	0.304608	standard
4.41325	0.2703	standard
4.78128	0.265662	standard
4.79436	0.286313	standard
4.79834	0.299963	standard
4.81142	0.249597	standard
5.86062	0.504922	standard
5.87777	0.504923	standard
7.8492	1.0	standard
3.79269	0.181735	standard
3.79922	0.181734	standard
3.81868	0.342672	standard
3.8252	0.343285	standard
3.87701	0.350936	standard
3.88202	0.352339	standard
3.903	0.187156	standard
3.90801	0.18531	standard
4.25664	0.148777	standard
4.26196	0.341919	standard
4.26804	0.346416	standard
4.27337	0.158386	standard
4.39576	0.274737	standard
4.40094	0.271452	standard
4.40615	0.301334	standard
4.41128	0.271139	standard
4.78425	0.264015	standard
4.79473	0.286916	standard
4.79797	0.297945	standard
4.80844	0.251082	standard
5.8623	0.504878	standard
5.87609	0.504879	standard
7.8492	1.0	standard
3.79606	0.193951	standard
3.8015	0.194196	standard
3.81768	0.330295	standard
3.82312	0.33053	standard
3.87899	0.338648	standard
3.88312	0.339813	standard
3.90061	0.199369	standard
3.90484	0.197844	standard
4.25802	0.149245	standard
4.26246	0.340893	standard
4.26753	0.348056	standard
4.27199	0.157345	standard
4.39704	0.274069	standard
4.40139	0.273859	standard
4.40575	0.298998	standard
4.40999	0.271609	standard
4.78623	0.262885	standard
4.79502	0.288628	standard
4.79768	0.297868	standard
4.80636	0.252204	standard
5.86349	0.504949	standard
5.8749	0.504949	standard
7.8492	1.0	standard
3.79834	0.203059	standard
3.80299	0.203452	standard
3.81689	0.321213	standard
3.82153	0.321214	standard
3.88048	0.329205	standard
3.88401	0.330213	standard
3.89902	0.209202	standard
3.90256	0.20791	standard
4.2591	0.150765	standard
4.26283	0.340288	standard
4.26717	0.34315	standard
4.27101	0.156403	standard
4.39803	0.279318	standard
4.40168	0.280508	standard
4.40545	0.29234	standard
4.4091	0.266751	standard
4.78772	0.257506	standard
4.79521	0.293366	standard
4.79748	0.293366	standard
4.80497	0.257506	standard
5.86429	0.504905	standard
5.8741	0.504905	standard
7.8492	1.0	standard
3.79923	0.206704	standard
3.80358	0.207149	standard
3.81659	0.317399	standard
3.82094	0.317317	standard
3.88107	0.324895	standard
3.88441	0.325856	standard
3.89833	0.212713	standard
3.90167	0.211482	standard
4.2595	0.150922	standard
4.26296	0.338704	standard
4.26708	0.344919	standard
4.27061	0.156789	standard
4.39833	0.278452	standard
4.40178	0.280898	standard
4.40525	0.29195	standard
4.40871	0.266694	standard
4.78831	0.257529	standard
4.79531	0.294564	standard
4.79739	0.294564	standard
4.80438	0.25753	standard
5.86458	0.504842	standard
5.87381	0.504842	standard
7.8492	1.0	standard
3.80003	0.20969	standard
3.80418	0.21021	standard
3.81629	0.314267	standard
3.82034	0.314107	standard
3.88157	0.321343	standard
3.88471	0.32225	standard
3.89783	0.215933	standard
3.90098	0.214779	standard
4.25979	0.150522	standard
4.26312	0.345375	standard
4.26688	0.348471	standard
4.27022	0.156517	standard
4.39872	0.278929	standard
4.40188	0.281822	standard
4.40515	0.291367	standard
4.40841	0.266828	standard
4.78881	0.257621	standard
4.7953	0.293466	standard
4.79729	0.293399	standard
4.80388	0.257438	standard
5.86488	0.504862	standard
5.87351	0.504862	standard
7.8492	1.0	standard
3.80132	0.215336	standard
3.80497	0.215907	standard
3.8158	0.308337	standard
3.81945	0.308065	standard
3.88246	0.314923	standard
3.88531	0.315767	standard
3.89694	0.221983	standard
3.89969	0.220942	standard
4.26038	0.152322	standard
4.26329	0.335823	standard
4.26672	0.339307	standard
4.26963	0.156479	standard
4.39922	0.27761	standard
4.40208	0.282048	standard
4.40495	0.289299	standard
4.40792	0.267801	standard
4.7896	0.257549	standard
4.79539	0.292317	standard
4.7972	0.292318	standard
4.80299	0.25755	standard
5.86538	0.50491	standard
5.87301	0.504898	standard
7.8492	1.0	standard
3.80191	0.217713	standard
3.80537	0.218322	standard
3.8156	0.306719	standard
3.81896	0.306411	standard
3.88285	0.313145	standard
3.88551	0.313949	standard
3.89654	0.223909	standard
3.89919	0.222899	standard
4.26058	0.152932	standard
4.26339	0.340918	standard
4.26662	0.34328	standard
4.26943	0.154353	standard
4.39942	0.275451	standard
4.40218	0.282264	standard
4.40496	0.286578	standard
4.40762	0.273119	standard
4.79	0.257529	standard
4.79549	0.2923	standard
4.7972	0.2923	standard
4.80269	0.25753	standard
5.86558	0.504914	standard
5.87281	0.50488	standard
7.8492	1.0	standard
3.80241	0.219952	standard
3.80567	0.220573	standard
3.8154	0.304083	standard
3.81866	0.303728	standard
3.88325	0.311929	standard
3.8857	0.312693	standard
3.89624	0.226774	standard
3.8987	0.22582	standard
4.26087	0.154122	standard
4.26348	0.33973	standard
4.26653	0.339263	standard
4.26924	0.152396	standard
4.39971	0.272819	standard
4.40228	0.287216	standard
4.40486	0.287217	standard
4.40742	0.272818	standard
4.7903	0.257599	standard
4.79549	0.292679	standard
4.7971	0.292594	standard
4.80239	0.257371	standard
5.86577	0.504945	standard
5.87262	0.504949	standard
7.8492	1.0	standard
3.8032	0.223639	standard
3.80616	0.224299	standard
3.815	0.300386	standard
3.81797	0.299966	standard
3.88384	0.307661	standard
3.8861	0.308393	standard
3.89565	0.230228	standard
3.8979	0.229322	standard
4.26127	0.154268	standard
4.26361	0.338237	standard
4.26644	0.342162	standard
4.26884	0.153519	standard
4.40001	0.272158	standard
4.40238	0.286158	standard
4.40476	0.286158	standard
4.40713	0.272157	standard
4.79079	0.257447	standard
4.79559	0.29456	standard
4.79701	0.29456	standard
4.8018	0.257448	standard
5.86607	0.504902	standard
5.87232	0.504905	standard
7.8492	1.0	standard
3.80449	0.22963	standard
3.80696	0.230314	standard
3.81451	0.294975	standard
3.81698	0.294486	standard
3.88483	0.302662	standard
3.8867	0.303329	standard
3.89475	0.235345	standard
3.89672	0.234501	standard
4.26176	0.152233	standard
4.26386	0.342212	standard
4.26621	0.33726	standard
4.26825	0.153051	standard
4.4006	0.272808	standard
4.40258	0.287204	standard
4.40456	0.287204	standard
4.40653	0.272808	standard
4.79169	0.257601	standard
4.79568	0.293055	standard
4.79691	0.292946	standard
4.80101	0.257306	standard
5.86652	0.500178	standard
5.87182	0.50487	standard
7.8492	1.0	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

Guanosine

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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