Guided Ideographic Spin System Model Optimization

Global links:

GISSMO Tutorial

Web Services:

Mixture Simulation

Mol to jpg conversion

Simulations:

Simulation overview

Simulation: simulation_2

ALATIS cross link

Gateway cross link

Download simulation data

Download entry NMR-STAR

Download entry NMReDATA

External links:

pKa (R. Williams)

¹H NMR (Hans J. Reich)

D-Citrulline

Simulation outputs:

	Parameter	Value
	Field strength	899.75(MHz)
	RMSD of the fit	0.03847
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1
	pKa	2.43
	pKa	9.69
	Note 1	None

Sample description:

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

Show/Hide Spin System Matrix

Spin System Matrix

	13	14	15	16	19	17	18
13	1.851	-12.818	14.838	2.578	0	6.832	7.842
14	0	1.88	2.578	14.838	0	7.842	6.832
15	0	0	1.532	-13.869	7.45	0	0
16	0	0	0	1.594	6.573	0	0
19	0	0	0	0	3.743	0	0
17	0	0	0	0	0	3.126	-14.301
18	0	0	0	0	0	0	3.138

Spectra

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

PPM	Amplitude	Peak Type
1.50927	0.110729	standard
1.51272	0.121636	standard
1.51749	0.124662	standard
1.5211	0.14717	standard
1.52474	0.287148	standard
1.52863	0.301057	standard
1.53298	0.297429	standard
1.53693	0.311698	standard
1.53965	0.237277	standard
1.54392	0.2114	standard
1.54798	0.20326	standard
1.55222	0.190456	standard
1.56103	0.0181923	standard
1.56368	0.0167961	standard
1.57382	0.174425	standard
1.57799	0.199613	standard
1.5811	0.199992	standard
1.58526	0.20831	standard
1.5892	0.298796	standard
1.59301	0.311009	standard
1.59641	0.309823	standard
1.6003	0.288249	standard
1.60507	0.149151	standard
1.60848	0.140844	standard
1.61236	0.137941	standard
1.61578	0.124472	standard
1.82451	0.051398	standard
1.82787	0.0643684	standard
1.83267	0.10063	standard
1.83617	0.132481	standard
1.83873	0.165727	standard
1.84228	0.175863	standard
1.84391	0.172527	standard
1.84694	0.265671	standard
1.85054	0.260622	standard
1.85479	0.266639	standard
1.85784	0.31893	standard
1.86167	0.37975	standard
1.86549	0.399734	standard
1.86962	0.3851	standard
1.87316	0.319736	standard
1.87686	0.264602	standard
1.88067	0.256182	standard
1.8843	0.258126	standard
1.88721	0.169613	standard
1.88885	0.166003	standard
1.89238	0.15733	standard
1.89495	0.122191	standard
1.89862	0.089387	standard
1.90325	0.0582256	standard
1.90677	0.0457515	standard
3.10623	0.0648631	standard
3.11437	0.127946	standard
3.12225	0.579268	standard
3.12629	0.607641	standard
3.1303	0.995145	standard
3.13436	1.00021	standard
3.13835	0.607201	standard
3.14244	0.577492	standard
3.15026	0.127585	standard
3.15846	0.0643271	standard
3.73534	0.532206	standard
3.74309	0.895982	standard
3.75089	0.531855	standard
1.25594	0.108963	standard
1.66314	0.918599	standard
1.74308	1.0	standard
1.87744	0.348592	standard
2.02305	0.154321	standard
2.1876	0.0841341	standard
2.25703	0.104354	standard
2.5346	0.020938	standard
2.62788	0.0254301	standard
2.79829	0.0417091	standard
2.9858	0.424925	standard
3.14407	0.629566	standard
3.3086	0.244696	standard
3.60229	0.191838	standard
3.73674	0.362607	standard
3.89588	0.17783	standard
1.31119	0.0815072	standard
1.36217	0.168396	standard
1.38528	0.166169	standard
1.47628	0.204876	standard
1.51316	0.27323	standard
1.60551	0.59693	standard
1.64112	0.788906	standard
1.68591	1.0	standard
1.71236	0.953796	standard
1.76242	0.786979	standard
1.84063	0.4301	standard
1.8849	0.382109	standard
1.97891	0.24575	standard
2.06275	0.146029	standard
2.13438	0.121839	standard
2.6627	0.0100421	standard
2.74582	0.0117651	standard
2.81396	0.0186851	standard
3.02666	0.636788	standard
3.13933	0.909982	standard
3.2515	0.389614	standard
3.63997	0.276384	standard
3.73748	0.520532	standard
3.85116	0.281427	standard
1.37586	0.106018	standard
1.44839	0.202714	standard
1.52344	0.31524	standard
1.60881	0.61574	standard
1.67367	0.728497	standard
1.7023	0.725253	standard
1.76575	0.55042	standard
1.78755	0.57031	standard
1.86683	0.427234	standard
1.9238	0.234166	standard
1.95421	0.26006	standard
2.00747	0.192571	standard
2.06872	0.125148	standard
3.04997	0.716259	standard
3.13889	1.0	standard
3.22272	0.458076	standard
3.66211	0.298329	standard
3.73996	0.563475	standard
3.82655	0.323592	standard
1.25306	0.00827013	standard
1.39615	0.111113	standard
1.43299	0.174103	standard
1.46615	0.221219	standard
1.52962	0.334355	standard
1.57474	0.350216	standard
1.60622	0.548892	standard
1.67149	0.596726	standard
1.70722	0.477942	standard
1.7727	0.438607	standard
1.79719	0.556291	standard
1.86786	0.418174	standard
1.91598	0.263313	standard
1.94776	0.237113	standard
1.95367	0.236869	standard
1.98839	0.209873	standard
2.04593	0.120089	standard
3.05807	0.711785	standard
3.13871	1.0	standard
3.21297	0.452035	standard
3.67026	0.286904	standard
3.74085	0.552848	standard
3.81796	0.322623	standard
1.28133	0.0103381	standard
1.41355	0.113241	standard
1.47895	0.235794	standard
1.53483	0.325155	standard
1.57604	0.329954	standard
1.60206	0.491937	standard
1.64491	0.398394	standard
1.66459	0.509287	standard
1.7285	0.35398	standard
1.7674	0.315282	standard
1.79714	0.556278	standard
1.86732	0.419439	standard
1.90816	0.282757	standard
1.94822	0.232011	standard
1.97371	0.220263	standard
2.02759	0.118203	standard
3.06468	0.698823	standard
3.13729	1.0	standard
3.20495	0.449615	standard
3.677	0.27741	standard
3.74183	0.547213	standard
3.81093	0.320661	standard
1.37308	0.00408913	standard
1.41569	0.0187101	standard
1.44785	0.0366862	standard
1.48388	0.124425	standard
1.51281	0.226856	standard
1.52101	0.219004	standard
1.54693	0.25532	standard
1.55513	0.267845	standard
1.57081	0.303497	standard
1.59591	0.27531	standard
1.60589	0.290917	standard
1.62855	0.19627	standard
1.66362	0.0652243	standard
1.69498	0.0406441	standard
1.73879	0.0372393	standard
1.75108	0.0380908	standard
1.78814	0.178871	standard
1.82847	0.404097	standard
1.86662	0.453364	standard
1.90608	0.285372	standard
1.95001	0.108564	standard
1.98471	0.019957	standard
2.01556	0.006956	standard
3.09669	0.569632	standard
3.13309	1.0	standard
3.16871	0.489075	standard
3.70912	0.270819	standard
3.74321	0.499084	standard
3.77789	0.275701	standard
1.42193	0.003457	standard
1.45793	0.02877	standard
1.475	0.0431011	standard
1.48252	0.0431892	standard
1.50349	0.120478	standard
1.52745	0.18763	standard
1.53654	0.238346	standard
1.54745	0.165589	standard
1.56085	0.404679	standard
1.57578	0.198633	standard
1.58517	0.281759	standard
1.59456	0.236015	standard
1.61594	0.163423	standard
1.62379	0.0791523	standard
1.63954	0.0622891	standard
1.64641	0.0601048	standard
1.66129	0.0424095	standard
1.67535	0.011997	standard
1.69773	0.00961545	standard
1.73055	0.00564512	standard
1.76828	0.014538	standard
1.78249	0.0309738	standard
1.79326	0.0319332	standard
1.80939	0.125025	standard
1.81908	0.127021	standard
1.83373	0.241941	standard
1.84309	0.304688	standard
1.85652	0.24624	standard
1.86695	0.395994	standard
1.87816	0.245208	standard
1.89092	0.263099	standard
1.90174	0.200061	standard
1.91501	0.0917205	standard
1.92577	0.0963282	standard
1.94385	0.022011	standard
1.95068	0.0217681	standard
1.9675	0.00969988	standard
3.06044	0.0114296	standard
3.10826	0.556455	standard
3.13254	1.00012	standard
3.15672	0.509317	standard
3.20499	0.010927	standard
3.72007	0.281109	standard
3.74318	0.502264	standard
3.76641	0.281173	standard
1.44548	0.00286612	standard
1.47797	0.0400322	standard
1.48903	0.053132	standard
1.49629	0.0560053	standard
1.51227	0.131975	standard
1.52772	0.171448	standard
1.53032	0.172291	standard
1.53944	0.196302	standard
1.54558	0.164613	standard
1.55091	0.196926	standard
1.55654	0.26518	standard
1.56676	0.250682	standard
1.5745	0.205411	standard
1.58035	0.199164	standard
1.58259	0.204127	standard
1.59418	0.214829	standard
1.60996	0.161234	standard
1.61731	0.0846176	standard
1.62777	0.0739871	standard
1.63406	0.0686863	standard
1.64411	0.05289	standard
1.66032	0.00798075	standard
1.67706	0.00589525	standard
1.78943	0.0184675	standard
1.79925	0.0328818	standard
1.80757	0.0420211	standard
1.82075	0.115176	standard
1.83296	0.184723	standard
1.83909	0.20795	standard
1.85029	0.381201	standard
1.85768	0.192396	standard
1.8669	0.427352	standard
1.88202	0.327455	standard
1.89456	0.174846	standard
1.89928	0.162017	standard
1.91266	0.0927378	standard
1.92596	0.0320039	standard
1.93299	0.0256614	standard
1.94405	0.0135641	standard
3.07771	0.0153274	standard
3.09617	0.0371255	standard
3.11417	0.550984	standard
3.13238	1.00001	standard
3.15063	0.516867	standard
3.16872	0.0366044	standard
3.18737	0.0150196	standard
3.72572	0.30384	standard
3.74314	0.530673	standard
3.76057	0.303928	standard
1.48957	0.054991	standard
1.49751	0.068345	standard
1.50427	0.0680739	standard
1.51681	0.170263	standard
1.52832	0.178984	standard
1.53143	0.190104	standard
1.54062	0.243044	standard
1.55261	0.213111	standard
1.55515	0.225055	standard
1.56735	0.238836	standard
1.56984	0.246518	standard
1.58295	0.269462	standard
1.59382	0.229281	standard
1.60645	0.18255	standard
1.61319	0.0965095	standard
1.62086	0.0867222	standard
1.62639	0.0837211	standard
1.6338	0.0679495	standard
1.65164	0.006187	standard
1.66501	0.00455516	standard
1.80212	0.0244246	standard
1.80942	0.0403301	standard
1.81678	0.0500376	standard
1.82733	0.12002	standard
1.8416	0.263412	standard
1.85118	0.351835	standard
1.85524	0.323167	standard
1.86617	0.495306	standard
1.87658	0.28703	standard
1.88091	0.355338	standard
1.89073	0.236617	standard
1.90507	0.102175	standard
1.91576	0.0408449	standard
1.92242	0.032862	standard
1.93026	0.01991	standard
3.08808	0.0221686	standard
3.10272	0.0501675	standard
3.11781	0.555992	standard
3.13215	1.00004	standard
3.14667	0.527784	standard
3.16203	0.0500214	standard
3.17682	0.0218334	standard
3.72915	0.353732	standard
3.74311	0.612053	standard
3.75708	0.35371	standard
1.49708	0.0717381	standard
1.50323	0.0875075	standard
1.50945	0.0839151	standard
1.51606	0.117842	standard
1.51993	0.210282	standard
1.52797	0.200516	standard
1.53221	0.228722	standard
1.54046	0.305513	standard
1.54928	0.207626	standard
1.55289	0.189895	standard
1.5618	0.220202	standard
1.56378	0.21218	standard
1.5727	0.196234	standard
1.57493	0.200151	standard
1.58499	0.239695	standard
1.59332	0.256948	standard
1.5962	0.225294	standard
1.60412	0.220326	standard
1.61017	0.115626	standard
1.61613	0.101189	standard
1.62114	0.103663	standard
1.62697	0.0856732	standard
1.81054	0.032742	standard
1.81631	0.0463691	standard
1.8228	0.0655612	standard
1.83172	0.135617	standard
1.83848	0.146978	standard
1.84422	0.25539	standard
1.85132	0.296498	standard
1.856	0.304035	standard
1.85895	0.33569	standard
1.86485	0.375458	standard
1.86709	0.385304	standard
1.87161	0.31036	standard
1.87653	0.283936	standard
1.88002	0.301728	standard
1.88533	0.192157	standard
1.88784	0.227343	standard
1.89278	0.141027	standard
1.90018	0.119519	standard
1.90918	0.054371	standard
1.9152	0.039695	standard
1.92132	0.0267938	standard
3.09497	0.0317505	standard
3.10714	0.0684948	standard
3.11913	0.548767	standard
3.12126	0.551047	standard
3.13127	1.00015	standard
3.13346	0.994046	standard
3.1433	0.540377	standard
3.14573	0.535941	standard
3.15759	0.068111	standard
3.16983	0.0313651	standard
3.73147	0.415065	standard
3.7431	0.713321	standard
3.75477	0.415081	standard
1.50236	0.0874334	standard
1.50723	0.102206	standard
1.51296	0.100214	standard
1.51802	0.128674	standard
1.5221	0.245035	standard
1.52794	0.243014	standard
1.53267	0.26004	standard
1.53893	0.289481	standard
1.54704	0.202489	standard
1.55115	0.196196	standard
1.5576	0.181809	standard
1.56836	0.162757	standard
1.57458	0.197577	standard
1.57754	0.193628	standard
1.58407	0.208189	standard
1.58729	0.251116	standard
1.5931	0.282028	standard
1.59666	0.255558	standard
1.60242	0.25349	standard
1.60809	0.130339	standard
1.61282	0.117339	standard
1.61748	0.118342	standard
1.62213	0.101987	standard
1.81659	0.0393642	standard
1.8213	0.0534187	standard
1.82708	0.078203	standard
1.8321	0.118176	standard
1.83477	0.150121	standard
1.83999	0.157078	standard
1.84528	0.251689	standard
1.85085	0.345793	standard
1.85748	0.287388	standard
1.86139	0.427475	standard
1.86984	0.412571	standard
1.87428	0.270473	standard
1.8805	0.334791	standard
1.88629	0.235878	standard
1.88953	0.149967	standard
1.89102	0.149883	standard
1.89678	0.134913	standard
1.89926	0.106387	standard
1.90454	0.0681153	standard
1.91007	0.0470239	standard
1.91498	0.033976	standard
3.09983	0.0425802	standard
3.11026	0.0882836	standard
3.12041	0.560668	standard
3.12336	0.56567	standard
3.13081	1.0	standard
3.13387	0.993071	standard
3.14122	0.562584	standard
3.14432	0.555368	standard
3.15441	0.0876813	standard
3.16489	0.042156	standard
3.73308	0.466961	standard
3.74309	0.799177	standard
3.75309	0.466946	standard
1.50445	0.095091	standard
1.5089	0.107288	standard
1.51433	0.108324	standard
1.51898	0.134062	standard
1.52292	0.260721	standard
1.52809	0.262279	standard
1.53277	0.273633	standard
1.53817	0.291919	standard
1.54613	0.205801	standard
1.55026	0.196221	standard
1.55599	0.185524	standard
1.56207	0.0403673	standard
1.56996	0.167834	standard
1.57553	0.19444	standard
1.57866	0.194626	standard
1.58437	0.206979	standard
1.58793	0.26723	standard
1.59306	0.292298	standard
1.59666	0.272681	standard
1.60178	0.265883	standard
1.60719	0.135535	standard
1.61146	0.125759	standard
1.61593	0.123346	standard
1.62022	0.109864	standard
1.81897	0.042905	standard
1.82327	0.0568927	standard
1.82876	0.0846203	standard
1.83331	0.122966	standard
1.836	0.156337	standard
1.84068	0.162995	standard
1.84255	0.159191	standard
1.84579	0.257065	standard
1.8529	0.324547	standard
1.85922	0.347541	standard
1.86276	0.463504	standard
1.86856	0.454211	standard
1.87207	0.344158	standard
1.87844	0.325282	standard
1.88567	0.242369	standard
1.88896	0.155051	standard
1.89051	0.153929	standard
1.89544	0.142662	standard
1.89796	0.111891	standard
1.90274	0.0749671	standard
1.90799	0.0504766	standard
1.91251	0.0373588	standard
3.10178	0.0484434	standard
3.11151	0.0990185	standard
3.12093	0.567173	standard
3.12422	0.574442	standard
3.13065	1.00045	standard
3.13404	0.995038	standard
3.14037	0.573864	standard
3.14377	0.564641	standard
3.15314	0.0983251	standard
3.16291	0.0479767	standard
3.73378	0.489864	standard
3.7431	0.8284	standard
3.7524	0.489975	standard
1.50631	0.102709	standard
1.51032	0.112594	standard
1.51552	0.115895	standard
1.51975	0.138756	standard
1.5236	0.271297	standard
1.52828	0.277292	standard
1.53289	0.284759	standard
1.53766	0.297838	standard
1.53992	0.24602	standard
1.54532	0.208458	standard
1.54946	0.198684	standard
1.55459	0.190741	standard
1.56185	0.0291141	standard
1.57143	0.174801	standard
1.57642	0.195604	standard
1.57958	0.197038	standard
1.58466	0.20675	standard
1.58841	0.279315	standard
1.59305	0.300431	standard
1.59658	0.289579	standard
1.60118	0.276274	standard
1.6064	0.140446	standard
1.61035	0.133194	standard
1.61464	0.128559	standard
1.61854	0.117331	standard
1.82105	0.0462194	standard
1.82495	0.0598384	standard
1.83025	0.0905516	standard
1.83435	0.127032	standard
1.83702	0.160662	standard
1.84128	0.169043	standard
1.84293	0.164753	standard
1.8462	0.261523	standard
1.85059	0.27038	standard
1.85417	0.33024	standard
1.85937	0.370405	standard
1.86303	0.456263	standard
1.86831	0.439121	standard
1.87204	0.373625	standard
1.87718	0.322528	standard
1.88055	0.262388	standard
1.88516	0.249362	standard
1.88831	0.160454	standard
1.8899	0.158632	standard
1.89432	0.147949	standard
1.89684	0.116437	standard
1.90117	0.0805498	standard
1.90622	0.053504	standard
1.91033	0.0405449	standard
3.10346	0.0541558	standard
3.1126	0.109389	standard
3.12139	0.571471	standard
3.12502	0.583355	standard
3.13052	1.00003	standard
3.13416	0.993501	standard
3.13962	0.583888	standard
3.1433	0.569785	standard
3.15204	0.108491	standard
3.16123	0.0536679	standard
3.73437	0.508361	standard
3.7431	0.874582	standard
3.7518	0.508487	standard
1.50927	0.110603	standard
1.51275	0.121637	standard
1.51749	0.124698	standard
1.5211	0.147059	standard
1.52475	0.286594	standard
1.52863	0.301116	standard
1.53298	0.297417	standard
1.53693	0.311692	standard
1.53965	0.237306	standard
1.54392	0.211372	standard
1.54798	0.203236	standard
1.55222	0.190432	standard
1.56103	0.0181743	standard
1.56367	0.016774	standard
1.57385	0.174417	standard
1.57799	0.19977	standard
1.5811	0.199995	standard
1.58526	0.208284	standard
1.5892	0.298738	standard
1.59301	0.310959	standard
1.59641	0.309802	standard
1.6003	0.28823	standard
1.60507	0.149139	standard
1.60848	0.140849	standard
1.61236	0.137941	standard
1.61578	0.12447	standard
1.82451	0.0513981	standard
1.82787	0.0643644	standard
1.83267	0.100627	standard
1.83617	0.132464	standard
1.83873	0.165703	standard
1.84228	0.175832	standard
1.84391	0.172495	standard
1.84694	0.265639	standard
1.85054	0.26058	standard
1.85479	0.266579	standard
1.85784	0.318882	standard
1.86167	0.379953	standard
1.86549	0.399715	standard
1.86962	0.385307	standard
1.87316	0.319696	standard
1.87686	0.264551	standard
1.88067	0.256205	standard
1.8843	0.257495	standard
1.88721	0.169515	standard
1.88885	0.165948	standard
1.89238	0.157305	standard
1.89495	0.122175	standard
1.89862	0.089386	standard
1.90325	0.0582225	standard
1.90677	0.0457534	standard
3.10623	0.06487	standard
3.11439	0.128182	standard
3.12225	0.579267	standard
3.12629	0.607723	standard
3.13029	0.996685	standard
3.13436	1.0002	standard
3.13832	0.607877	standard
3.14244	0.576993	standard
3.15026	0.127496	standard
3.15843	0.0643114	standard
3.73534	0.532199	standard
3.74309	0.895917	standard
3.75089	0.531848	standard
1.51048	0.113988	standard
1.51376	0.125021	standard
1.51828	0.127965	standard
1.52168	0.15015	standard
1.52523	0.292835	standard
1.5288	0.308709	standard
1.53298	0.302852	standard
1.53661	0.316264	standard
1.53946	0.234401	standard
1.54334	0.211639	standard
1.54734	0.204849	standard
1.55113	0.191974	standard
1.56077	0.0149173	standard
1.56411	0.0138171	standard
1.57492	0.176562	standard
1.57864	0.200276	standard
1.5818	0.200242	standard
1.58558	0.20972	standard
1.58948	0.304952	standard
1.593	0.314142	standard
1.59637	0.315537	standard
1.5999	0.293665	standard
1.60453	0.152562	standard
1.60768	0.144098	standard
1.61145	0.14174	standard
1.61458	0.128028	standard
1.82594	0.0534264	standard
1.8291	0.0663006	standard
1.83369	0.103626	standard
1.83695	0.13472	standard
1.83944	0.168161	standard
1.8426	0.178231	standard
1.84437	0.173873	standard
1.84723	0.267932	standard
1.85051	0.261031	standard
1.8543	0.260504	standard
1.85794	0.352222	standard
1.86171	0.386045	standard
1.86559	0.413616	standard
1.86951	0.392765	standard
1.87315	0.349206	standard
1.8769	0.262616	standard
1.88059	0.257721	standard
1.88395	0.257449	standard
1.88681	0.172798	standard
1.8884	0.170095	standard
1.8917	0.157044	standard
1.89418	0.124738	standard
1.89752	0.0935945	standard
1.90196	0.0601684	standard
1.90529	0.047861	standard
3.10742	0.0701177	standard
3.11515	0.137908	standard
3.12254	0.579384	standard
3.12682	0.623232	standard
3.13018	1.00036	standard
3.13447	0.998607	standard
3.13777	0.626403	standard
3.14215	0.577181	standard
3.14952	0.136909	standard
3.15727	0.0695796	standard
3.73576	0.541394	standard
3.74311	0.909746	standard
3.75042	0.541711	standard
1.51165	0.117853	standard
1.51465	0.128594	standard
1.51908	0.132491	standard
1.52216	0.153811	standard
1.5256	0.292855	standard
1.52893	0.312458	standard
1.53303	0.302188	standard
1.53638	0.318582	standard
1.53925	0.23194	standard
1.54282	0.211864	standard
1.54673	0.204295	standard
1.55024	0.192084	standard
1.56062	0.0123209	standard
1.57581	0.177334	standard
1.57928	0.20005	standard
1.58241	0.200603	standard
1.58587	0.209692	standard
1.58974	0.308806	standard
1.59301	0.315585	standard
1.59627	0.319488	standard
1.59956	0.293244	standard
1.60404	0.155054	standard
1.60698	0.146972	standard
1.61059	0.143584	standard
1.61349	0.1309	standard
1.82728	0.0555303	standard
1.83019	0.0678164	standard
1.83462	0.105224	standard
1.83764	0.136544	standard
1.84015	0.169025	standard
1.8431	0.183779	standard
1.84461	0.178959	standard
1.84749	0.263032	standard
1.85046	0.259649	standard
1.85429	0.261212	standard
1.85776	0.291485	standard
1.85908	0.290661	standard
1.86127	0.330383	standard
1.86514	0.31059	standard
1.86614	0.319712	standard
1.86993	0.334953	standard
1.87208	0.290533	standard
1.87341	0.296694	standard
1.87697	0.263149	standard
1.88055	0.254288	standard
1.88363	0.258152	standard
1.88639	0.176115	standard
1.88792	0.172125	standard
1.88957	0.153469	standard
1.89099	0.159016	standard
1.8934	0.12668	standard
1.89659	0.0976337	standard
1.90088	0.0618083	standard
1.9039	0.0500782	standard
3.10851	0.0751327	standard
3.11579	0.146087	standard
3.12283	0.578976	standard
3.12735	0.646704	standard
3.13009	1.00024	standard
3.13459	0.998445	standard
3.13725	0.651932	standard
3.14185	0.576615	standard
3.14886	0.145179	standard
3.15618	0.0745845	standard
3.73605	0.546818	standard
3.74309	0.946388	standard
3.75012	0.546801	standard
1.51353	0.121068	standard
1.51624	0.131418	standard
1.52026	0.135661	standard
1.52304	0.155001	standard
1.52631	0.293659	standard
1.5292	0.312582	standard
1.53303	0.302561	standard
1.53596	0.316722	standard
1.53883	0.225633	standard
1.54192	0.207743	standard
1.54562	0.201286	standard
1.54865	0.189036	standard
1.5775	0.177748	standard
1.58044	0.198668	standard
1.58341	0.198961	standard
1.5864	0.206422	standard
1.5902	0.309927	standard
1.59305	0.312074	standard
1.59612	0.321684	standard
1.59896	0.293707	standard
1.60315	0.156143	standard
1.60579	0.148968	standard
1.6091	0.145325	standard
1.61171	0.133074	standard
1.82946	0.0577077	standard
1.83207	0.0692133	standard
1.83615	0.10984	standard
1.83881	0.136925	standard
1.84113	0.164262	standard
1.84371	0.184732	standard
1.84527	0.178856	standard
1.84794	0.263144	standard
1.85044	0.262665	standard
1.85409	0.256894	standard
1.85692	0.257521	standard
1.86067	0.342181	standard
1.86367	0.326071	standard
1.86741	0.333626	standard
1.87042	0.342472	standard
1.87408	0.261875	standard
1.87702	0.257333	standard
1.88058	0.259258	standard
1.88321	0.256878	standard
1.88573	0.176953	standard
1.88734	0.175056	standard
1.8899	0.158963	standard
1.89213	0.129404	standard
1.89494	0.101204	standard
1.8989	0.0637864	standard
1.90162	0.0525441	standard
3.11029	0.0834497	standard
3.11691	0.15857	standard
3.12332	0.569901	standard
3.12985	0.998764	standard
3.13478	1.0	standard
3.14136	0.566221	standard
3.14772	0.157785	standard
3.1544	0.0828763	standard
3.73675	0.548161	standard
3.74309	0.927337	standard
3.74943	0.548165	standard
1.5165	0.101383	standard
1.51861	0.108575	standard
1.52215	0.111868	standard
1.52441	0.125462	standard
1.52731	0.232713	standard
1.52958	0.243271	standard
1.53305	0.238867	standard
1.53532	0.245828	standard
1.53806	0.175097	standard
1.54043	0.16159	standard
1.54382	0.157429	standard
1.54617	0.147531	standard
1.57997	0.139143	standard
1.58231	0.15165	standard
1.585	0.154449	standard
1.58736	0.158691	standard
1.59084	0.240037	standard
1.59314	0.245113	standard
1.59586	0.249367	standard
1.59815	0.232037	standard
1.60176	0.126916	standard
1.6039	0.121613	standard
1.60682	0.118121	standard
1.60894	0.109313	standard
1.83282	0.048312	standard
1.83504	0.0567538	standard
1.83854	0.0904599	standard
1.8407	0.111028	standard
1.84288	0.131801	standard
1.84469	0.152295	standard
1.84615	0.145545	standard
1.84846	0.202467	standard
1.85037	0.208072	standard
1.85378	0.20116	standard
1.85602	0.197182	standard
1.8593	0.183946	standard
1.8616	0.170462	standard
1.86388	0.149719	standard
1.86494	0.159908	standard
1.86605	0.16213	standard
1.86704	0.148227	standard
1.86932	0.182748	standard
1.87168	0.193049	standard
1.8749	0.201829	standard
1.87724	0.203887	standard
1.88065	0.205243	standard
1.88248	0.197567	standard
1.88482	0.143383	standard
1.88628	0.146864	standard
1.88823	0.123824	standard
1.89026	0.105614	standard
1.89244	0.0849132	standard
1.89593	0.0529382	standard
1.89816	0.0449263	standard
3.11297	0.078398	standard
3.11862	0.143874	standard
3.12402	0.441194	standard
3.12948	0.976063	standard
3.13513	1.00179	standard
3.14058	0.442119	standard
3.146	0.14384	standard
3.15163	0.0781032	standard
3.73774	0.435155	standard
3.74309	0.7567	standard
3.74843	0.435156	standard

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