Guided Ideographic Spin System Model Optimization

Global links:

GISSMO Tutorial

Web Services:

Mixture Simulation

Mol to jpg conversion

Simulation: simulation_1

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)

L-citrulline

Simulation outputs:

	Parameter	Value
	Field strength	499.84(MHz)
	RMSD of the fit	0.02702
	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	higher field

Sample description:

Compound	Type	Concentration
L-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	1.883	-12.318	2.216	12.121	0	4.649	9.113
14	0	1.852	9.1	2.221	0	8.83	4.579
15	0	0	1.524	-13.117	5.621	0	0
16	0	0	0	1.588	6.77	0	0
19	0	0	0	0	3.743	0	0
17	0	0	0	0	0	3.126	-13.208
18	0	0	0	0	0	0	3.14

Spectra

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

PPM	Amplitude	Peak Type
1.49116	0.0755161	standard
1.49727	0.0934628	standard
1.50246	0.0980629	standard
1.50807	0.152526	standard
1.51748	0.231581	standard
1.52496	0.247379	standard
1.52851	0.271385	standard
1.53253	0.240913	standard
1.53533	0.223907	standard
1.54018	0.270552	standard
1.55152	0.209535	standard
1.55614	0.194446	standard
1.5641	0.166115	standard
1.5696	0.197547	standard
1.57748	0.276416	standard
1.58434	0.250337	standard
1.59054	0.194868	standard
1.59777	0.22632	standard
1.60323	0.143575	standard
1.61063	0.102939	standard
1.61787	0.0954982	standard
1.62405	0.0908945	standard
1.81064	0.0295781	standard
1.81677	0.0454858	standard
1.82264	0.049562	standard
1.82812	0.0726158	standard
1.83496	0.162475	standard
1.84938	0.348104	standard
1.85591	0.356184	standard
1.86072	0.377109	standard
1.86433	0.394783	standard
1.8686	0.454675	standard
1.87555	0.357692	standard
1.88289	0.306122	standard
1.88454	0.305482	standard
1.89682	0.14545	standard
1.90336	0.125841	standard
1.91067	0.0625288	standard
1.91633	0.0432649	standard
1.92189	0.039641	standard
1.92795	0.0294883	standard
3.09137	0.0354986	standard
3.103	0.0687966	standard
3.11804	0.574979	standard
3.12085	0.581331	standard
3.13284	1.00015	standard
3.14478	0.561781	standard
3.14819	0.54744	standard
3.16312	0.0677648	standard
3.17479	0.0361961	standard
3.73061	0.44889	standard
3.74299	0.691019	standard
3.75537	0.448876	standard
1.32378	0.162269	standard
1.35304	0.157302	standard
1.47827	0.319215	standard
1.60433	0.84059	standard
1.66073	1.0	standard
1.7162	0.990761	standard
1.87568	0.415921	standard
1.92284	0.398544	standard
2.01635	0.242039	standard
2.10011	0.15176	standard
2.17649	0.143087	standard
2.48833	0.0175021	standard
2.55498	0.0150801	standard
2.72043	0.0268931	standard
2.99311	0.590166	standard
3.17371	0.636201	standard
3.29938	0.322305	standard
3.60695	0.261327	standard
3.73966	0.487503	standard
3.88831	0.243348	standard
1.39812	0.213303	standard
1.43368	0.242543	standard
1.50143	0.422644	standard
1.58791	0.695965	standard
1.68362	1.0	standard
1.74328	0.543163	standard
1.77889	0.56663	standard
1.84658	0.490137	standard
1.89937	0.485595	standard
1.93918	0.313426	standard
1.97107	0.314189	standard
2.01055	0.235476	standard
2.08018	0.164585	standard
3.03214	0.809847	standard
3.15186	0.90773	standard
3.24556	0.493224	standard
3.4793	0.0178711	standard
3.648	0.339358	standard
3.74068	0.632426	standard
3.8419	0.353121	standard
1.43665	0.24308	standard
1.48782	0.358506	standard
1.51567	0.475138	standard
1.53701	0.434183	standard
1.5891	0.677147	standard
1.65949	0.591979	standard
1.72657	0.423805	standard
1.77382	0.472715	standard
1.80483	0.570647	standard
1.85941	0.483482	standard
1.89193	0.544902	standard
1.94596	0.36053	standard
1.96989	0.297153	standard
2.02758	0.170266	standard
2.19484	0.0100941	standard
3.05484	0.916584	standard
3.14361	1.0	standard
3.21817	0.56816	standard
3.66959	0.363683	standard
3.74173	0.715465	standard
3.81867	0.405903	standard
1.45009	0.249066	standard
1.49541	0.389173	standard
1.52047	0.464446	standard
1.54463	0.482205	standard
1.56499	0.510898	standard
1.5858	0.643631	standard
1.65228	0.521393	standard
1.73954	0.362376	standard
1.76586	0.349809	standard
1.80408	0.527402	standard
1.82205	0.481364	standard
1.85871	0.448679	standard
1.88644	0.596752	standard
1.93721	0.366891	standard
1.95658	0.316641	standard
2.00985	0.173133	standard
2.15933	0.0100791	standard
3.06262	0.922842	standard
3.14019	1.0	standard
3.20885	0.578717	standard
3.67735	0.360076	standard
3.74203	0.722837	standard
3.81052	0.412102	standard
1.31972	0.0122521	standard
1.44842	0.22755	standard
1.46158	0.253658	standard
1.50234	0.411734	standard
1.52436	0.469815	standard
1.55294	0.517529	standard
1.56249	0.518327	standard
1.58461	0.63778	standard
1.61784	0.387643	standard
1.64456	0.480328	standard
1.75511	0.390393	standard
1.8124	0.489581	standard
1.82493	0.482651	standard
1.86289	0.45782	standard
1.88284	0.636707	standard
1.92995	0.378926	standard
1.94596	0.333399	standard
1.99584	0.176942	standard
2.0657	0.0236911	standard
2.13086	0.0102701	standard
3.06901	0.928363	standard
3.1384	1.00001	standard
3.20106	0.601516	standard
3.68367	0.364054	standard
3.74243	0.738169	standard
3.804	0.423896	standard
1.43158	0.0249025	standard
1.45796	0.0514981	standard
1.49606	0.195249	standard
1.52458	0.398121	standard
1.55402	0.529707	standard
1.58363	0.507364	standard
1.61631	0.237759	standard
1.64885	0.0686543	standard
1.65983	0.0577761	standard
1.68029	0.0538476	standard
1.72483	0.0199651	standard
1.76298	0.0339038	standard
1.80335	0.215066	standard
1.8349	0.49036	standard
1.86963	0.59151	standard
1.9008	0.352945	standard
1.92789	0.128205	standard
1.94178	0.120479	standard
1.97268	0.0226292	standard
1.97975	0.022545	standard
2.00261	0.0118926	standard
3.06634	0.033858	standard
3.09972	0.759195	standard
3.13365	1.00002	standard
3.1669	0.663021	standard
3.71258	0.372022	standard
3.74301	0.665285	standard
3.77386	0.373193	standard
1.4659	0.0399613	standard
1.47926	0.0587431	standard
1.48507	0.0662396	standard
1.50911	0.19622	standard
1.52901	0.32087	standard
1.53778	0.255859	standard
1.54857	0.380506	standard
1.55979	0.273692	standard
1.5676	0.296037	standard
1.5764	0.21565	standard
1.58338	0.275552	standard
1.59163	0.162186	standard
1.60572	0.202458	standard
1.61417	0.0866863	standard
1.62726	0.0733934	standard
1.63693	0.0607435	standard
1.64914	0.0603538	standard
1.68442	0.0076045	standard
1.78048	0.015155	standard
1.7927	0.0319475	standard
1.80117	0.0299485	standard
1.82093	0.144893	standard
1.82878	0.166027	standard
1.84417	0.367134	standard
1.85901	0.401978	standard
1.86558	0.437223	standard
1.87401	0.323024	standard
1.88116	0.366193	standard
1.88786	0.28925	standard
1.90411	0.213332	standard
1.91981	0.102953	standard
1.93985	0.0285135	standard
1.94804	0.0256987	standard
1.96056	0.015906	standard
3.06587	0.0168645	standard
3.08638	0.040142	standard
3.11058	0.689546	standard
3.13313	1.00006	standard
3.15556	0.604193	standard
3.17994	0.039055	standard
3.20082	0.0166492	standard
3.72249	0.363068	standard
3.74299	0.602914	standard
3.76361	0.363096	standard
1.48194	0.056774	standard
1.49051	0.0746586	standard
1.4962	0.0786728	standard
1.50429	0.100734	standard
1.5147	0.208662	standard
1.525	0.23832	standard
1.52889	0.282209	standard
1.53894	0.205678	standard
1.54364	0.311949	standard
1.54667	0.284441	standard
1.55804	0.258021	standard
1.56556	0.220383	standard
1.57597	0.228085	standard
1.58388	0.250789	standard
1.59112	0.178532	standard
1.60063	0.204949	standard
1.60785	0.121735	standard
1.61672	0.0856222	standard
1.62495	0.0763687	standard
1.63337	0.0743977	standard
1.66573	0.004743	standard
1.79944	0.0214271	standard
1.80777	0.0379752	standard
1.81469	0.0414457	standard
1.82984	0.147015	standard
1.84064	0.256871	standard
1.84785	0.315264	standard
1.85144	0.295552	standard
1.85718	0.381732	standard
1.86588	0.445977	standard
1.87446	0.414313	standard
1.88219	0.308638	standard
1.89193	0.234553	standard
1.89967	0.136968	standard
1.90931	0.113438	standard
1.92501	0.035626	standard
1.93174	0.031745	standard
1.94003	0.0220197	standard
3.08182	0.0241261	standard
3.09679	0.051545	standard
3.11622	0.614992	standard
3.13287	1.00003	standard
3.149	0.565825	standard
3.15056	0.557895	standard
3.1694	0.0508773	standard
3.18449	0.0246334	standard
3.72756	0.39425	standard
3.74298	0.62384	standard
3.75844	0.394315	standard
1.49116	0.0754961	standard
1.49727	0.0934287	standard
1.50246	0.0980259	standard
1.50807	0.152477	standard
1.51748	0.231468	standard
1.52496	0.247242	standard
1.52851	0.271203	standard
1.53253	0.240805	standard
1.53533	0.223763	standard
1.54018	0.270389	standard
1.55152	0.209425	standard
1.55614	0.194378	standard
1.5641	0.165992	standard
1.5696	0.197436	standard
1.57747	0.276254	standard
1.58434	0.250202	standard
1.59054	0.194764	standard
1.59777	0.226208	standard
1.60323	0.143514	standard
1.61063	0.102905	standard
1.61787	0.0955409	standard
1.62403	0.0909279	standard
1.81064	0.0295621	standard
1.81677	0.0454132	standard
1.82271	0.0496752	standard
1.82812	0.0726821	standard
1.83496	0.162477	standard
1.84938	0.347893	standard
1.85591	0.355939	standard
1.86072	0.376865	standard
1.86433	0.394512	standard
1.8686	0.454386	standard
1.87555	0.357471	standard
1.88289	0.305931	standard
1.88454	0.305306	standard
1.89682	0.145387	standard
1.90337	0.125989	standard
1.91061	0.0626313	standard
1.91633	0.0431131	standard
1.92189	0.0396098	standard
1.92795	0.0294753	standard
3.09137	0.0354934	standard
3.103	0.0687747	standard
3.11804	0.574695	standard
3.12085	0.581015	standard
3.13284	1.00018	standard
3.14478	0.562083	standard
3.14818	0.547561	standard
3.16312	0.0677155	standard
3.17479	0.0361894	standard
3.73061	0.448729	standard
3.74299	0.690684	standard
3.75537	0.448715	standard
1.4971	0.0998298	standard
1.50183	0.118513	standard
1.50652	0.125457	standard
1.51116	0.209392	standard
1.51905	0.272825	standard
1.52519	0.287028	standard
1.52815	0.282248	standard
1.53255	0.306849	standard
1.53785	0.272183	standard
1.54126	0.227505	standard
1.54724	0.213054	standard
1.56124	0.194754	standard
1.56716	0.189225	standard
1.57243	0.216362	standard
1.57896	0.308718	standard
1.58474	0.281853	standard
1.58838	0.211767	standard
1.59056	0.220047	standard
1.59592	0.266749	standard
1.5991	0.167793	standard
1.60142	0.15872	standard
1.60665	0.129554	standard
1.61304	0.120054	standard
1.61785	0.115608	standard
1.818	0.0406021	standard
1.8228	0.0570357	standard
1.82757	0.0625503	standard
1.83175	0.10103	standard
1.83843	0.190499	standard
1.84365	0.193684	standard
1.85278	0.410947	standard
1.85967	0.403116	standard
1.86408	0.441865	standard
1.86625	0.457291	standard
1.86901	0.416777	standard
1.87394	0.382623	standard
1.88145	0.342321	standard
1.88521	0.249136	standard
1.88644	0.251936	standard
1.88973	0.190632	standard
1.89246	0.165158	standard
1.89462	0.174154	standard
1.89953	0.154192	standard
1.90634	0.085468	standard
1.91061	0.055632	standard
1.91533	0.051152	standard
1.92003	0.0400426	standard
3.09762	0.0526033	standard
3.10713	0.093609	standard
3.11081	0.0650069	standard
3.11974	0.617543	standard
3.12364	0.627837	standard
3.13266	1.00004	standard
3.14207	0.623599	standard
3.14632	0.601858	standard
3.15901	0.0921932	standard
3.16841	0.0535224	standard
3.73269	0.535426	standard
3.74297	0.816474	standard
3.75329	0.535261	standard
1.50123	0.133646	standard
1.50506	0.154101	standard
1.50929	0.164455	standard
1.51327	0.273808	standard
1.52	0.334386	standard
1.52487	0.355963	standard
1.5279	0.329479	standard
1.53186	0.431755	standard
1.53604	0.308848	standard
1.53958	0.275091	standard
1.54416	0.252635	standard
1.56491	0.231363	standard
1.56951	0.238874	standard
1.57452	0.257075	standard
1.57966	0.353842	standard
1.58504	0.347103	standard
1.58732	0.247037	standard
1.59034	0.278873	standard
1.59464	0.334183	standard
1.59973	0.194346	standard
1.60385	0.16484	standard
1.60956	0.155285	standard
1.61349	0.147592	standard
1.82314	0.0560606	standard
1.82705	0.0745175	standard
1.83105	0.081021	standard
1.83472	0.143516	standard
1.84058	0.232896	standard
1.84487	0.24771	standard
1.84898	0.278841	standard
1.85238	0.439321	standard
1.85702	0.445455	standard
1.86014	0.463532	standard
1.86424	0.493955	standard
1.86844	0.429595	standard
1.87333	0.428977	standard
1.8766	0.441445	standard
1.88135	0.349059	standard
1.88541	0.317944	standard
1.88864	0.238786	standard
1.89315	0.220835	standard
1.89689	0.198292	standard
1.90287	0.117649	standard
1.90664	0.0731041	standard
1.91063	0.0675859	standard
1.91449	0.0546633	standard
3.10207	0.0782315	standard
3.10999	0.128757	standard
3.11331	0.0899809	standard
3.12097	0.720095	standard
3.1256	0.780205	standard
3.12927	0.780027	standard
3.13193	1.00015	standard
3.1337	0.987096	standard
3.13691	0.763747	standard
3.14007	0.785756	standard
3.145	0.704603	standard
3.15225	0.0892711	standard
3.15605	0.127276	standard
3.16391	0.0793908	standard
3.73417	0.662641	standard
3.74296	0.995343	standard
3.7518	0.662439	standard
1.50284	0.139533	standard
1.50635	0.15917	standard
1.51038	0.170261	standard
1.5141	0.281339	standard
1.52037	0.335323	standard
1.52469	0.356174	standard
1.52768	0.328473	standard
1.53148	0.452971	standard
1.53537	0.303402	standard
1.5388	0.275037	standard
1.54289	0.249884	standard
1.55542	0.017261	standard
1.56638	0.230554	standard
1.57048	0.243179	standard
1.57529	0.255263	standard
1.57992	0.333899	standard
1.58086	0.333002	standard
1.58516	0.350686	standard
1.59033	0.28785	standard
1.59418	0.337093	standard
1.59903	0.198293	standard
1.60271	0.169979	standard
1.60815	0.159805	standard
1.61171	0.152206	standard
1.82522	0.0596852	standard
1.82873	0.0773205	standard
1.83252	0.0846296	standard
1.83592	0.154319	standard
1.8415	0.235789	standard
1.8454	0.249796	standard
1.84915	0.268258	standard
1.85246	0.445101	standard
1.8593	0.479649	standard
1.86294	0.54356	standard
1.8667	0.393701	standard
1.8704	0.460536	standard
1.87421	0.451735	standard
1.87716	0.362558	standard
1.88133	0.343064	standard
1.88515	0.326023	standard
1.8883	0.236576	standard
1.8925	0.228251	standard
1.89594	0.204571	standard
1.90146	0.122936	standard
1.90496	0.0764139	standard
1.90881	0.0704806	standard
1.91221	0.0581731	standard
3.10386	0.0859803	standard
3.11115	0.136749	standard
3.11434	0.096486	standard
3.12146	0.716667	standard
3.12647	0.800316	standard
3.12894	0.812621	standard
3.13175	0.941917	standard
3.1339	0.928495	standard
3.13723	0.810486	standard
3.13924	0.817684	standard
3.14451	0.701848	standard
3.15126	0.0960618	standard
3.15487	0.135274	standard
3.16213	0.0871394	standard
3.73472	0.671009	standard
3.74294	1.00006	standard
3.75121	0.671505	standard
1.50423	0.142696	standard
1.50746	0.161845	standard
1.51127	0.172879	standard
1.51478	0.280728	standard
1.52068	0.331902	standard
1.52443	0.350062	standard
1.52759	0.320064	standard
1.53116	0.458473	standard
1.53477	0.295113	standard
1.53812	0.272502	standard
1.54179	0.244814	standard
1.56768	0.226074	standard
1.57137	0.241533	standard
1.5761	0.249898	standard
1.58005	0.311709	standard
1.58167	0.321311	standard
1.58536	0.346254	standard
1.59027	0.291665	standard
1.59378	0.335752	standard
1.59836	0.19792	standard
1.6018	0.171538	standard
1.60691	0.162096	standard
1.61022	0.153843	standard
1.827	0.062059	standard
1.83021	0.0790696	standard
1.83368	0.085901	standard
1.83701	0.157993	standard
1.8423	0.237436	standard
1.84586	0.248879	standard
1.84721	0.250818	standard
1.84921	0.261915	standard
1.85251	0.440552	standard
1.85614	0.327341	standard
1.85967	0.457682	standard
1.86285	0.496038	standard
1.86682	0.339933	standard
1.87029	0.423666	standard
1.87403	0.412513	standard
1.87754	0.343615	standard
1.88126	0.329812	standard
1.885	0.332207	standard
1.88796	0.235361	standard
1.89188	0.229879	standard
1.89507	0.207154	standard
1.90028	0.124332	standard
1.90358	0.0784854	standard
1.90712	0.0722117	standard
1.91033	0.0599216	standard
3.10534	0.092198	standard
3.11216	0.142543	standard
3.11519	0.100954	standard
3.12194	0.709254	standard
3.12735	0.868027	standard
3.12858	0.876455	standard
3.13155	0.889172	standard
3.13406	0.870911	standard
3.13827	0.913323	standard
3.14402	0.694942	standard
3.15037	0.100602	standard
3.15386	0.140684	standard
3.16064	0.0933242	standard
3.73526	0.670318	standard
3.74299	1.0	standard
3.75071	0.670314	standard
1.50661	0.127654	standard
1.50936	0.142702	standard
1.51285	0.153002	standard
1.51596	0.243107	standard
1.51937	0.20944	standard
1.52127	0.28313	standard
1.52246	0.272289	standard
1.52419	0.303119	standard
1.52731	0.267225	standard
1.5305	0.387238	standard
1.53367	0.244772	standard
1.53685	0.22904	standard
1.5399	0.205665	standard
1.56986	0.19112	standard
1.5729	0.203407	standard
1.57729	0.209377	standard
1.58057	0.246361	standard
1.58261	0.268536	standard
1.58558	0.296488	standard
1.5902	0.257179	standard
1.593	0.288434	standard
1.59725	0.17057	standard
1.60021	0.149925	standard
1.60486	0.143008	standard
1.60764	0.135578	standard
1.82987	0.0564487	standard
1.83269	0.0701805	standard
1.83573	0.076377	standard
1.83884	0.14057	standard
1.84347	0.201874	standard
1.8466	0.215105	standard
1.84811	0.223894	standard
1.84932	0.221201	standard
1.85259	0.361773	standard
1.85555	0.273183	standard
1.85872	0.29333	standard
1.86195	0.406953	standard
1.86529	0.280858	standard
1.86836	0.274333	standard
1.87156	0.345506	standard
1.87522	0.271402	standard
1.87805	0.287718	standard
1.88114	0.270909	standard
1.88472	0.287132	standard
1.88754	0.19885	standard
1.89095	0.204833	standard
1.89361	0.184251	standard
1.89823	0.107357	standard
1.90133	0.0701092	standard
1.9044	0.0647238	standard
1.90716	0.0546228	standard
3.10792	0.0899767	standard
3.11381	0.131757	standard
3.11673	0.0956905	standard
3.12263	0.596978	standard
3.12841	0.996108	standard
3.13126	0.710218	standard
3.13437	0.695666	standard
3.13748	1.00061	standard
3.14333	0.586373	standard
3.14891	0.0956688	standard
3.15218	0.130549	standard
3.15807	0.0908728	standard
3.73605	0.573716	standard
3.74298	0.846502	standard
3.74982	0.573938	standard
1.5076	0.130853	standard
1.51015	0.145333	standard
1.51352	0.156318	standard
1.51644	0.243576	standard
1.51964	0.211577	standard
1.52146	0.28251	standard
1.5228	0.276786	standard
1.52414	0.303804	standard
1.52722	0.266554	standard
1.53025	0.383396	standard
1.53316	0.244482	standard
1.53631	0.228355	standard
1.53911	0.205802	standard
1.57076	0.190894	standard
1.57359	0.203431	standard
1.57789	0.209951	standard
1.58083	0.242992	standard
1.58296	0.271124	standard
1.5857	0.295841	standard
1.59016	0.261181	standard
1.5927	0.294161	standard
1.59682	0.172216	standard
1.59952	0.153013	standard
1.60396	0.144516	standard
1.60666	0.137081	standard
1.83116	0.0585235	standard
1.83378	0.072071	standard
1.83662	0.0784977	standard
1.8396	0.142116	standard
1.84397	0.205613	standard
1.84685	0.217079	standard
1.84853	0.223957	standard
1.8495	0.222903	standard
1.85256	0.360652	standard
1.85544	0.275272	standard
1.8584	0.283252	standard
1.86139	0.341045	standard
1.8637	0.262556	standard
1.86677	0.257511	standard
1.86976	0.254382	standard
1.8722	0.286074	standard
1.87563	0.267685	standard
1.87826	0.287348	standard
1.88116	0.268777	standard
1.88457	0.287006	standard
1.88734	0.202904	standard
1.89058	0.208702	standard
1.89303	0.188355	standard
1.89738	0.107266	standard
1.90034	0.0718862	standard
1.90326	0.0662905	standard
1.90588	0.0562046	standard
3.10891	0.0956669	standard
3.1145	0.136998	standard
3.11739	0.101495	standard
3.12283	0.593399	standard
3.12863	1.00004	standard
3.13111	0.708703	standard
3.13453	0.692968	standard
3.13723	0.957367	standard
3.14304	0.582786	standard
3.14821	0.101273	standard
3.15149	0.135461	standard
3.15698	0.0967164	standard
3.73645	0.576915	standard
3.74299	0.854153	standard
3.74942	0.577793	standard
1.50846	0.147913	standard
1.51087	0.164159	standard
1.51403	0.17551	standard
1.51689	0.268574	standard
1.51993	0.237779	standard
1.52166	0.315573	standard
1.52294	0.311687	standard
1.52414	0.339028	standard
1.52706	0.297025	standard
1.52995	0.420375	standard
1.53277	0.268358	standard
1.53579	0.251977	standard
1.53842	0.227549	standard
1.57165	0.211928	standard
1.57428	0.225475	standard
1.57839	0.233059	standard
1.58111	0.267001	standard
1.58328	0.300368	standard
1.5858	0.333435	standard
1.59006	0.290297	standard
1.59253	0.326293	standard
1.59638	0.193754	standard
1.59892	0.172203	standard
1.60322	0.163636	standard
1.60566	0.155562	standard
1.83225	0.0670723	standard
1.83466	0.0814545	standard
1.83741	0.0889527	standard
1.84027	0.15734	standard
1.84448	0.23049	standard
1.84709	0.243319	standard
1.84884	0.2566	standard
1.85257	0.390194	standard
1.85535	0.302429	standard
1.85809	0.305947	standard
1.86099	0.358435	standard
1.8642	0.283133	standard
1.86683	0.297025	standard
1.86961	0.266213	standard
1.87268	0.296893	standard
1.8761	0.287277	standard
1.87846	0.316815	standard
1.88123	0.301407	standard
1.88449	0.32088	standard
1.88718	0.227744	standard
1.89015	0.237161	standard
1.89257	0.211596	standard
1.89661	0.119567	standard
1.89945	0.0813623	standard
1.90227	0.0751225	standard
1.90469	0.0643603	standard
3.1099	0.112514	standard
3.11512	0.157407	standard
3.11793	0.118341	standard
3.12313	0.656942	standard
3.12892	1.00003	standard
3.13097	0.800031	standard
3.1347	0.784877	standard
3.13678	0.921605	standard
3.14275	0.649604	standard
3.14773	0.117976	standard
3.15084	0.15592	standard
3.15609	0.11334	standard
3.73675	0.643194	standard
3.74294	0.967485	standard
3.74913	0.643198	standard
1.50997	0.156181	standard
1.51208	0.171767	standard
1.51502	0.183086	standard
1.51762	0.276977	standard
1.52041	0.247601	standard
1.52193	0.321008	standard
1.52405	0.354932	standard
1.52681	0.299756	standard
1.52951	0.411011	standard
1.53208	0.269536	standard
1.53488	0.254051	standard
1.53713	0.231598	standard
1.57303	0.214249	standard
1.57537	0.224882	standard
1.57918	0.235065	standard
1.58158	0.262178	standard
1.58383	0.313533	standard
1.5859	0.34228	standard
1.58997	0.304862	standard
1.59204	0.335454	standard
1.59565	0.199063	standard
1.59791	0.178853	standard
1.60186	0.171007	standard
1.60398	0.163117	standard
1.83413	0.0718548	standard
1.83624	0.085571	standard
1.83879	0.094103	standard
1.84148	0.164297	standard
1.84514	0.236298	standard
1.84737	0.25494	standard
1.8496	0.263841	standard
1.8526	0.385002	standard
1.85507	0.307682	standard
1.85763	0.314144	standard
1.86024	0.336256	standard
1.86287	0.185176	standard
1.86583	0.256851	standard
1.86803	0.261315	standard
1.87096	0.18441	standard
1.87353	0.275846	standard
1.87679	0.285243	standard
1.87883	0.324566	standard
1.88135	0.295715	standard
1.88433	0.324822	standard
1.88694	0.23856	standard
1.88952	0.254793	standard
1.89156	0.222761	standard
1.89535	0.119223	standard
1.89797	0.086126	standard
1.90049	0.079745	standard
1.90261	0.0689749	standard
3.11148	0.126272	standard
3.11618	0.169989	standard
3.11892	0.13246	standard
3.12353	0.664648	standard
3.12838	0.701678	standard
3.13039	1.00011	standard
3.13533	0.941652	standard
3.13762	0.673943	standard
3.14235	0.656209	standard
3.14674	0.132655	standard
3.14976	0.168605	standard
3.1544	0.127317	standard
3.73734	0.658264	standard
3.74303	0.968249	standard
3.74853	0.658844	standard
1.51225	0.171072	standard
1.51396	0.186237	standard
1.5165	0.197338	standard
1.51872	0.283799	standard
1.52109	0.263347	standard
1.52229	0.328223	standard
1.52397	0.376237	standard
1.52653	0.305741	standard
1.52876	0.396819	standard
1.53089	0.274047	standard
1.5334	0.255185	standard
1.53525	0.235139	standard
1.57532	0.221058	standard
1.57715	0.230647	standard
1.58046	0.239897	standard
1.58243	0.263852	standard
1.58454	0.322603	standard
1.58621	0.36016	standard
1.58979	0.324806	standard
1.59134	0.354721	standard
1.5945	0.210658	standard
1.59635	0.191319	standard
1.59972	0.181893	standard
1.6015	0.173826	standard
1.83689	0.0787373	standard
1.83873	0.0930199	standard
1.84074	0.1009	standard
1.84346	0.175864	standard
1.84637	0.251206	standard
1.84821	0.270195	standard
1.85012	0.284243	standard
1.85265	0.365525	standard
1.85472	0.321882	standard
1.85681	0.30884	standard
1.85899	0.313411	standard
1.86136	0.175135	standard
1.8635	0.161201	standard
1.86535	0.146558	standard
1.8686	0.153233	standard
1.87045	0.165217	standard
1.87262	0.171389	standard
1.87482	0.249132	standard
1.87774	0.289273	standard
1.87946	0.332714	standard
1.88142	0.311236	standard
1.88402	0.306053	standard
1.88635	0.251276	standard
1.8885	0.275882	standard
1.89016	0.242537	standard
1.89315	0.123796	standard
1.89571	0.0935552	standard
1.89771	0.0874373	standard
1.89955	0.07568	standard
3.11386	0.152056	standard
3.11783	0.194367	standard
3.12031	0.161191	standard
3.12411	0.688418	standard
3.12798	0.604186	standard
3.13068	0.882447	standard
3.13499	0.877004	standard
3.13793	0.595504	standard
3.14175	0.668546	standard
3.14536	0.161219	standard
3.14813	0.191956	standard
3.15197	0.1527	standard
3.73823	0.685045	standard
3.74293	1.00004	standard
3.74774	0.683608	standard

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