Guided Ideographic Spin System Model Optimization

Global links:

GISSMO Tutorial

Web Services:

Mixture Simulation

Mol to jpg conversion

Simulations:

Simulation overview

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-proline

Simulation outputs:

	Parameter	Value
	Field strength	499.84(MHz)
	RMSD of the fit	0.01504
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
	pKa	1.95
	pKa	10.64
	Note 1	None

Sample description:

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

Show/Hide Spin System Matrix

Spin System Matrix

	9	10	11	12	15	13	14
9	2.01	-12.785	8.956	7.284	0	7.297	6.167
10	0	1.983	6.621	8.206	0	6.562	7.963
11	0	0	2.059	-13.623	6.897	0	0
12	0	0	0	2.338	9.196	0	0
15	0	0	0	0	4.119	0	0
13	0	0	0	0	0	3.324	-11.564
14	0	0	0	0	0	0	3.407

Spectra

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

PPM	Amplitude	Peak Type
1.93491	0.0282158	standard
1.94947	0.084415	standard
1.96029	0.170402	standard
1.96508	0.150124	standard
1.97481	0.513881	standard
1.98863	0.923573	standard
2.00225	1.00004	standard
2.01493	0.732909	standard
2.02149	0.309292	standard
2.02696	0.485392	standard
2.03522	0.271912	standard
2.03995	0.483371	standard
2.05201	0.407915	standard
2.06581	0.508263	standard
2.081	0.38095	standard
2.09573	0.14228	standard
2.26623	0.00489933	standard
2.27791	0.00852305	standard
2.28951	0.014246	standard
2.29699	0.0643244	standard
2.30289	0.0881828	standard
2.30702	0.090213	standard
2.31571	0.294235	standard
2.31865	0.302206	standard
2.32821	0.271431	standard
2.33359	0.37662	standard
2.33605	0.341385	standard
2.34355	0.254876	standard
2.34638	0.303638	standard
2.34994	0.259777	standard
2.36022	0.257343	standard
2.3766	0.150826	standard
3.29708	0.205961	standard
3.30128	0.107418	standard
3.31075	0.431334	standard
3.32036	0.444604	standard
3.3242	0.383002	standard
3.33375	0.781145	standard
3.34751	0.445156	standard
3.36389	0.020249	standard
3.38275	0.355295	standard
3.38668	0.184079	standard
3.39578	0.553304	standard
3.40605	0.324036	standard
3.41047	0.50082	standard
3.41882	0.349931	standard
3.4202	0.341373	standard
3.43376	0.259839	standard
4.10313	0.69485	standard
4.11663	0.761944	standard
4.12181	0.632523	standard
4.13481	0.553557	standard
1.5407	0.0250671	standard
1.65075	0.061255	standard
1.70823	0.0870153	standard
1.85512	0.277295	standard
2.03556	0.988172	standard
2.14367	1.0	standard
2.23	0.631294	standard
2.34815	0.236056	standard
2.42793	0.156399	standard
2.50063	0.112786	standard
2.60061	0.0679423	standard
2.68903	0.041563	standard
2.81733	0.0261481	standard
2.919	0.0322661	standard
3.01243	0.0358861	standard
3.05974	0.0428181	standard
3.20592	0.485515	standard
3.35805	0.820506	standard
3.51198	0.342196	standard
3.93232	0.224222	standard
4.14375	0.38547	standard
4.33055	0.143189	standard
4.50558	0.0115561	standard
1.69915	0.036076	standard
1.76605	0.0774261	standard
1.91868	0.370959	standard
1.96641	0.547478	standard
2.01918	0.789482	standard
2.07006	1.0	standard
2.10259	0.869697	standard
2.19066	0.728378	standard
2.29826	0.193738	standard
2.33432	0.304431	standard
2.39261	0.109623	standard
2.43831	0.146903	standard
2.49718	0.0972471	standard
2.56199	0.057006	standard
2.65288	0.0252151	standard
2.67371	0.0250541	standard
2.79005	0.0105391	standard
3.0649	0.0260891	standard
3.16478	0.0589421	standard
3.2576	0.52504	standard
3.35597	0.873954	standard
3.4646	0.407657	standard
3.6746	0.0204221	standard
3.81326	0.0115691	standard
3.99306	0.26459	standard
4.0465	0.160831	standard
4.1367	0.459753	standard
4.25784	0.183897	standard
4.39806	0.00961013	standard
1.7773	0.056092	standard
1.82053	0.0986452	standard
1.86153	0.174361	standard
1.90872	0.354164	standard
1.97583	0.825999	standard
2.00263	0.829433	standard
2.02367	0.980781	standard
2.06215	0.814611	standard
2.08965	1.0	standard
2.14655	0.51758	standard
2.17781	0.44379	standard
2.20004	0.453815	standard
2.27287	0.253575	standard
2.29822	0.230167	standard
2.33288	0.319914	standard
2.36722	0.139767	standard
2.39373	0.182613	standard
2.40685	0.186194	standard
2.44708	0.171363	standard
2.50109	0.0848971	standard
2.58399	0.044002	standard
2.66468	0.0113431	standard
2.68363	0.0108911	standard
3.12967	0.0404834	standard
3.21134	0.095536	standard
3.28806	0.592717	standard
3.35403	0.959902	standard
3.37044	0.88707	standard
3.43693	0.546868	standard
3.51689	0.0966974	standard
3.58543	0.0302441	standard
3.60652	0.034315	standard
3.91056	0.0137281	standard
4.02538	0.362536	standard
4.13038	0.507776	standard
4.17764	0.237681	standard
4.22195	0.257962	standard
1.80268	0.0609701	standard
1.83984	0.105327	standard
1.88056	0.196214	standard
1.97813	0.821708	standard
2.00367	0.906971	standard
2.02478	1.0	standard
2.04886	0.760533	standard
2.08123	0.81393	standard
2.1316	0.590647	standard
2.21206	0.296418	standard
2.22891	0.338788	standard
2.28062	0.194971	standard
2.30092	0.216722	standard
2.33069	0.347397	standard
2.36112	0.144477	standard
2.38119	0.195687	standard
2.39841	0.192862	standard
2.43119	0.186265	standard
2.48117	0.0898722	standard
2.54606	0.0474971	standard
2.55543	0.04858	standard
2.62719	0.0117601	standard
2.64812	0.0103481	standard
3.15325	0.0443281	standard
3.22475	0.102743	standard
3.28328	0.48706	standard
3.30108	0.597463	standard
3.35262	0.946128	standard
3.37615	0.84867	standard
3.42681	0.556423	standard
3.4508	0.398497	standard
3.50274	0.107161	standard
3.5825	0.041724	standard
3.91532	0.0124571	standard
4.0365	0.383632	standard
4.11552	0.475094	standard
4.13053	0.466601	standard
4.16632	0.236553	standard
4.18459	0.230596	standard
4.21021	0.272279	standard
4.25791	0.0327731	standard
1.82299	0.0634606	standard
1.85499	0.104314	standard
1.97959	0.807455	standard
2.00871	0.897367	standard
2.02602	1.00001	standard
2.07307	0.692263	standard
2.12537	0.496241	standard
2.14249	0.454285	standard
2.2333	0.348554	standard
2.28126	0.182879	standard
2.30468	0.215151	standard
2.33003	0.332375	standard
2.37272	0.19419	standard
2.39158	0.187957	standard
2.41944	0.184858	standard
2.4659	0.0880403	standard
2.52404	0.0491711	standard
2.5322	0.050707	standard
2.59803	0.0111303	standard
2.62015	0.00930525	standard
3.17167	0.048636	standard
3.19692	0.0432332	standard
3.2355	0.107175	standard
3.2877	0.440087	standard
3.30975	0.568199	standard
3.35185	0.832656	standard
3.37594	0.766188	standard
3.41902	0.542471	standard
3.44557	0.374197	standard
3.49156	0.107049	standard
3.56401	0.0445534	standard
3.93546	0.0100161	standard
4.04536	0.384165	standard
4.08254	0.157369	standard
4.11344	0.465135	standard
4.1298	0.429759	standard
4.16326	0.240042	standard
4.1818	0.22246	standard
4.20066	0.272638	standard
4.24809	0.0295091	standard
1.85023	0.00837504	standard
1.89001	0.0219052	standard
1.91214	0.0922213	standard
1.92601	0.130088	standard
1.95055	0.289008	standard
1.96109	0.408685	standard
1.99369	0.769206	standard
2.01117	0.819266	standard
2.02298	1.00001	standard
2.04399	0.687892	standard
2.07615	0.393282	standard
2.11338	0.251078	standard
2.14985	0.0985784	standard
2.21481	0.0399681	standard
2.22365	0.065665	standard
2.23125	0.0529474	standard
2.25945	0.0989423	standard
2.26934	0.0901267	standard
2.28435	0.200315	standard
2.30555	0.202436	standard
2.31638	0.218087	standard
2.32846	0.334504	standard
2.34177	0.186405	standard
2.36151	0.212599	standard
2.37196	0.201772	standard
2.38813	0.111945	standard
2.40064	0.115598	standard
2.43433	0.0796153	standard
2.47527	0.00777504	standard
3.22003	0.00846013	standard
3.25237	0.0892944	standard
3.28607	0.171739	standard
3.3105	0.359288	standard
3.32013	0.273541	standard
3.344	0.697873	standard
3.37888	0.589199	standard
3.38438	0.660458	standard
3.41113	0.251714	standard
3.42184	0.352701	standard
3.44306	0.175269	standard
3.4795	0.0975923	standard
4.08081	0.456306	standard
4.11355	0.497654	standard
4.12524	0.375086	standard
4.14765	0.238481	standard
4.15917	0.309723	standard
4.193	0.025007	standard
1.8981	0.0152064	standard
1.92311	0.0441501	standard
1.93994	0.139372	standard
1.95087	0.194751	standard
1.96452	0.429603	standard
1.97542	0.562295	standard
1.98871	0.576761	standard
1.99829	0.907397	standard
2.01883	1.0	standard
2.04674	0.472315	standard
2.07111	0.479637	standard
2.09519	0.373633	standard
2.12008	0.123389	standard
2.23858	0.0109871	standard
2.25382	0.0411373	standard
2.25849	0.0387829	standard
2.27026	0.037975	standard
2.27821	0.075953	standard
2.28424	0.111209	standard
2.30136	0.246695	standard
2.3093	0.254483	standard
2.31554	0.199423	standard
2.32259	0.261779	standard
2.33097	0.372123	standard
2.33738	0.281467	standard
2.35226	0.275636	standard
2.35944	0.243192	standard
2.36997	0.17798	standard
2.37565	0.17149	standard
2.402	0.116353	standard
2.44072	0.00540038	standard
3.25494	0.0122888	standard
3.27794	0.138734	standard
3.28567	0.0923745	standard
3.30041	0.300416	standard
3.31645	0.42996	standard
3.32306	0.323117	standard
3.33895	0.738844	standard
3.36168	0.493821	standard
3.36827	0.407301	standard
3.3776	0.214194	standard
3.38999	0.611875	standard
3.40764	0.306325	standard
3.41491	0.447448	standard
3.42883	0.272524	standard
3.45338	0.180074	standard
4.09306	0.619315	standard
4.11508	0.659045	standard
4.12383	0.483639	standard
4.13783	0.275375	standard
4.1456	0.424899	standard
4.16854	0.0264087	standard
1.92134	0.0235115	standard
1.93975	0.0701716	standard
1.95289	0.174714	standard
1.95686	0.137368	standard
1.96419	0.231449	standard
1.97127	0.534109	standard
1.98288	0.605705	standard
1.98808	0.751442	standard
2.00024	0.984079	standard
2.00591	0.548119	standard
2.01673	1.00004	standard
2.03252	0.699944	standard
2.05017	0.511167	standard
2.06818	0.539752	standard
2.0862	0.433533	standard
2.10491	0.14526	standard
2.26314	0.0135281	standard
2.27411	0.0271856	standard
2.29217	0.103793	standard
2.29725	0.106864	standard
2.31009	0.312817	standard
2.31489	0.300969	standard
2.32601	0.28565	standard
2.33228	0.413558	standard
2.33638	0.335858	standard
2.34836	0.326538	standard
2.35333	0.27682	standard
2.363	0.248006	standard
2.36622	0.235778	standard
2.38613	0.145554	standard
3.29006	0.194038	standard
3.29627	0.104939	standard
3.30703	0.408084	standard
3.31907	0.457988	standard
3.32374	0.407358	standard
3.33587	0.808529	standard
3.35286	0.485384	standard
3.37735	0.381635	standard
3.38425	0.201193	standard
3.39331	0.634401	standard
3.4066	0.319825	standard
3.412	0.523245	standard
3.42254	0.354553	standard
3.44094	0.247569	standard
4.0993	0.727309	standard
4.11603	0.794577	standard
4.12284	0.602905	standard
4.13883	0.532026	standard
1.93491	0.0282088	standard
1.94947	0.0845101	standard
1.96029	0.169897	standard
1.96511	0.150437	standard
1.97482	0.515322	standard
1.98864	0.925514	standard
2.00225	1.00004	standard
2.01493	0.732639	standard
2.0215	0.308981	standard
2.02694	0.485783	standard
2.03522	0.271772	standard
2.03994	0.483637	standard
2.05201	0.407751	standard
2.06581	0.508081	standard
2.081	0.381896	standard
2.0957	0.141915	standard
2.26623	0.00489133	standard
2.27791	0.00850705	standard
2.28951	0.014222	standard
2.29699	0.0642231	standard
2.30289	0.0881238	standard
2.30702	0.0901596	standard
2.31574	0.294677	standard
2.31862	0.301911	standard
2.32827	0.272359	standard
2.33358	0.376649	standard
2.33604	0.340889	standard
2.34356	0.255459	standard
2.34635	0.303607	standard
2.34995	0.259287	standard
2.36022	0.257244	standard
2.3766	0.150788	standard
3.29711	0.206641	standard
3.30127	0.107724	standard
3.31075	0.431238	standard
3.32035	0.444538	standard
3.3242	0.382896	standard
3.33375	0.780892	standard
3.34751	0.445015	standard
3.36389	0.020229	standard
3.38275	0.355177	standard
3.38668	0.183984	standard
3.39578	0.553068	standard
3.40605	0.323926	standard
3.41047	0.500673	standard
3.41883	0.350306	standard
3.42023	0.342311	standard
3.43374	0.259837	standard
4.10313	0.69455	standard
4.11664	0.762132	standard
4.12181	0.632464	standard
4.13481	0.553413	standard
1.94372	0.0337406	standard
1.95579	0.0993773	standard
1.96509	0.176078	standard
1.9687	0.17621	standard
1.97754	0.547055	standard
1.98954	1.00013	standard
2.00143	0.970538	standard
2.01371	0.644728	standard
2.02478	0.367566	standard
2.03262	0.318522	standard
2.04277	0.414657	standard
2.05314	0.417496	standard
2.06434	0.501599	standard
2.07768	0.36462	standard
2.08956	0.14516	standard
2.27772	0.00372905	standard
2.2899	0.00639003	standard
2.29771	0.0211641	standard
2.30423	0.0492752	standard
2.30906	0.132544	standard
2.31425	0.0713699	standard
2.31949	0.282734	standard
2.32154	0.319236	standard
2.32975	0.255989	standard
2.33442	0.378606	standard
2.34267	0.283688	standard
2.34489	0.295722	standard
2.34787	0.252046	standard
2.35636	0.285382	standard
2.37024	0.153903	standard
3.30179	0.230924	standard
3.31304	0.47992	standard
3.32114	0.460234	standard
3.32423	0.383638	standard
3.33226	0.785967	standard
3.3438	0.432463	standard
3.38652	0.361909	standard
3.39722	0.514067	standard
3.39893	0.524159	standard
3.40591	0.348004	standard
3.4097	0.481766	standard
3.41631	0.368657	standard
3.4182	0.356865	standard
3.42904	0.275117	standard
4.10572	0.694799	standard
4.11706	0.767109	standard
4.12118	0.696935	standard
4.13215	0.607334	standard
1.94987	0.0496954	standard
1.95999	0.142263	standard
1.96825	0.234511	standard
1.97111	0.259524	standard
1.97892	0.556846	standard
1.98921	0.907237	standard
2.00096	0.821027	standard
2.01314	0.695851	standard
2.02261	0.414265	standard
2.03135	0.279518	standard
2.03504	0.339955	standard
2.04036	0.173311	standard
2.04463	0.545598	standard
2.05383	0.560215	standard
2.06339	0.634157	standard
2.07513	0.458361	standard
2.08517	0.189963	standard
2.29686	0.0104831	standard
2.30474	0.025056	standard
2.3124	0.204356	standard
2.32361	0.424671	standard
2.33093	0.327392	standard
2.33474	0.47865	standard
2.34221	0.395973	standard
2.34359	0.386125	standard
2.34641	0.318137	standard
2.35387	0.387777	standard
2.36568	0.201497	standard
3.30506	0.330591	standard
3.31468	0.6628	standard
3.32159	0.603501	standard
3.3244	0.487182	standard
3.33122	1.00079	standard
3.34109	0.539234	standard
3.38927	0.49288	standard
3.39824	0.652359	standard
3.40006	0.672392	standard
3.40585	0.468708	standard
3.40917	0.606972	standard
3.41473	0.488349	standard
3.41653	0.473031	standard
3.42572	0.367008	standard
4.10759	0.889608	standard
4.11735	0.987258	standard
4.12078	0.947278	standard
4.13031	0.82785	standard
1.9523	0.0531728	standard
1.96178	0.150871	standard
1.96953	0.241652	standard
1.97207	0.277891	standard
1.97944	0.54087	standard
1.98339	0.365835	standard
1.98888	0.854664	standard
1.99306	0.595273	standard
1.99814	0.667812	standard
2.00326	0.709687	standard
2.00783	0.353603	standard
2.0128	0.665421	standard
2.02174	0.403177	standard
2.02982	0.253873	standard
2.03666	0.369753	standard
2.04541	0.560025	standard
2.05408	0.578855	standard
2.05598	0.432477	standard
2.063	0.636866	standard
2.0648	0.483784	standard
2.07253	0.372859	standard
2.07409	0.462898	standard
2.08339	0.193169	standard
2.29648	0.00742044	standard
2.30422	0.0156674	standard
2.31399	0.222885	standard
2.32444	0.436666	standard
2.33133	0.326924	standard
2.33495	0.480645	standard
2.34193	0.409199	standard
2.34317	0.395005	standard
2.34582	0.320196	standard
2.35284	0.394395	standard
2.36387	0.204872	standard
3.30635	0.35145	standard
3.31533	0.692289	standard
3.32181	0.611584	standard
3.32443	0.494888	standard
3.33078	0.981897	standard
3.34001	0.538933	standard
3.39037	0.507117	standard
3.39869	0.659427	standard
3.40052	0.67329	standard
3.40581	0.477804	standard
3.40891	0.611539	standard
3.4141	0.497347	standard
3.41587	0.481708	standard
3.42442	0.374877	standard
4.10834	0.897703	standard
4.1175	1.00016	standard
4.12063	0.976607	standard
4.12955	0.860235	standard
1.95438	0.0559627	standard
1.96321	0.158892	standard
1.97059	0.247029	standard
1.97288	0.285812	standard
1.97996	0.531691	standard
1.98869	0.828348	standard
1.99424	0.565023	standard
1.99703	0.695939	standard
2.00379	0.680078	standard
2.0045	0.684598	standard
2.01258	0.644335	standard
2.02093	0.395875	standard
2.0285	0.245075	standard
2.03758	0.380052	standard
2.04611	0.559358	standard
2.05436	0.5829	standard
2.05626	0.439403	standard
2.06271	0.638519	standard
2.06449	0.485856	standard
2.07154	0.364682	standard
2.07318	0.462363	standard
2.08188	0.194914	standard
2.2963	0.004968	standard
2.30351	0.010275	standard
2.31531	0.233053	standard
2.32529	0.437674	standard
2.33181	0.33072	standard
2.33522	0.476296	standard
2.3417	0.422348	standard
2.34533	0.318736	standard
2.35201	0.403175	standard
2.36226	0.206489	standard
3.30749	0.369517	standard
3.31593	0.701944	standard
3.32191	0.605845	standard
3.32448	0.494024	standard
3.3304	0.96186	standard
3.33903	0.534212	standard
3.39133	0.515933	standard
3.3991	0.660813	standard
3.40087	0.669173	standard
3.40579	0.480862	standard
3.40875	0.60609	standard
3.41359	0.504228	standard
3.41525	0.489576	standard
3.42324	0.380416	standard
4.10899	0.899247	standard
4.11757	1.00126	standard
4.12051	0.988786	standard
4.1289	0.877258	standard
1.95785	0.0608258	standard
1.96558	0.166357	standard
1.97241	0.259122	standard
1.97424	0.307663	standard
1.98074	0.523582	standard
1.98824	0.881521	standard
1.99584	0.91101	standard
2.00439	0.774527	standard
2.01214	0.608756	standard
2.01962	0.391204	standard
2.02633	0.236606	standard
2.0338	0.118661	standard
2.03984	0.321914	standard
2.04738	0.561544	standard
2.05474	0.587863	standard
2.0566	0.446969	standard
2.06219	0.625606	standard
2.06401	0.480711	standard
2.06999	0.354816	standard
2.07161	0.459296	standard
2.0793	0.196835	standard
2.30212	0.00543338	standard
2.31763	0.2436	standard
2.32659	0.442934	standard
2.33248	0.327062	standard
2.33551	0.483625	standard
2.34127	0.427235	standard
2.34455	0.319546	standard
2.35045	0.408936	standard
2.35958	0.208183	standard
3.30933	0.38276	standard
3.31688	0.710216	standard
3.32216	0.598934	standard
3.32449	0.496305	standard
3.32973	0.952619	standard
3.33738	0.524628	standard
3.39295	0.520009	standard
3.3999	0.657221	standard
3.40146	0.66379	standard
3.40576	0.484336	standard
3.40847	0.595717	standard
3.41275	0.508859	standard
3.41428	0.496168	standard
3.42137	0.387655	standard
4.11008	0.895173	standard
4.11773	1.00012	standard
4.12031	0.996773	standard
4.12784	0.885331	standard
1.95933	0.06304	standard
1.96658	0.171445	standard
1.97309	0.263881	standard
1.9748	0.317499	standard
1.98107	0.522356	standard
1.9883	0.863884	standard
1.9963	0.881927	standard
2.00365	0.715147	standard
2.01196	0.591603	standard
2.01909	0.389223	standard
2.0254	0.236994	standard
2.03261	0.113076	standard
2.04079	0.314093	standard
2.04791	0.55627	standard
2.05493	0.583828	standard
2.05672	0.450173	standard
2.06201	0.620815	standard
2.06376	0.482946	standard
2.06934	0.35049	standard
2.07096	0.458217	standard
2.07824	0.197848	standard
2.31863	0.244122	standard
2.32714	0.44547	standard
2.33279	0.329166	standard
2.33561	0.477307	standard
2.34116	0.434945	standard
2.34415	0.319422	standard
2.34982	0.411437	standard
2.35844	0.209218	standard
3.3101	0.387835	standard
3.31729	0.707765	standard
3.32225	0.594955	standard
3.3245	0.495377	standard
3.32944	0.932855	standard
3.3367	0.519995	standard
3.39362	0.515361	standard
3.40018	0.64385	standard
3.40174	0.651335	standard
3.40581	0.487948	standard
3.40836	0.59182	standard
3.41238	0.509943	standard
3.41387	0.495446	standard
3.42058	0.389972	standard
4.11055	0.891131	standard
4.11781	1.00004	standard
4.12022	0.999043	standard
4.12736	0.885448	standard
1.96062	0.065155	standard
1.96756	0.176762	standard
1.96822	0.172346	standard
1.97378	0.269546	standard
1.9753	0.325765	standard
1.98128	0.515113	standard
1.98806	0.774226	standard
1.99605	0.739001	standard
2.00325	0.61884	standard
2.00448	0.602885	standard
2.01184	0.584122	standard
2.01858	0.382802	standard
2.0246	0.238352	standard
2.03152	0.108915	standard
2.04163	0.308135	standard
2.04843	0.556314	standard
2.0551	0.583522	standard
2.05684	0.453635	standard
2.06183	0.614321	standard
2.06354	0.48354	standard
2.06877	0.345196	standard
2.07038	0.456517	standard
2.07727	0.19849	standard
2.31957	0.245036	standard
2.32764	0.448702	standard
2.33297	0.32504	standard
2.3357	0.477253	standard
2.34098	0.439384	standard
2.34386	0.319362	standard
2.34923	0.409536	standard
2.35745	0.210054	standard
3.31079	0.39225	standard
3.31763	0.713672	standard
3.32233	0.593321	standard
3.32445	0.499035	standard
3.3292	0.919986	standard
3.3361	0.515977	standard
3.39423	0.512698	standard
3.40048	0.641839	standard
3.40195	0.649537	standard
3.40581	0.48892	standard
3.40826	0.587822	standard
3.41206	0.50982	standard
3.41353	0.496559	standard
3.41982	0.393609	standard
4.11097	0.892434	standard
4.11785	1.00113	standard
4.12014	0.997643	standard
4.12697	0.887386	standard
1.9628	0.0690371	standard
1.96902	0.183524	standard
1.96984	0.177037	standard
1.97486	0.276975	standard
1.97619	0.346813	standard
1.98166	0.519517	standard
1.98776	0.72976	standard
1.99146	0.268114	standard
1.99403	0.504393	standard
1.99478	0.502319	standard
1.99806	0.451958	standard
2.00098	0.30673	standard
2.00497	0.55539	standard
2.00568	0.548628	standard
2.01156	0.566601	standard
2.0177	0.383338	standard
2.02317	0.237622	standard
2.02953	0.104897	standard
2.04311	0.299683	standard
2.04931	0.549297	standard
2.05537	0.583062	standard
2.05703	0.45773	standard
2.06153	0.609677	standard
2.06312	0.489285	standard
2.0678	0.34101	standard
2.06934	0.45614	standard
2.07558	0.200467	standard
2.32118	0.244411	standard
2.32852	0.447299	standard
2.33346	0.322361	standard
2.33591	0.48032	standard
2.34075	0.444509	standard
2.34327	0.320708	standard
2.34824	0.413061	standard
2.35566	0.211805	standard
3.31199	0.397311	standard
3.31822	0.709674	standard
3.3225	0.589425	standard
3.32445	0.502267	standard
3.32873	0.897322	standard
3.33502	0.510619	standard
3.39531	0.507656	standard
3.40099	0.63426	standard
3.40235	0.642469	standard
3.40583	0.493003	standard
3.40807	0.583436	standard
3.41148	0.515042	standard
3.41285	0.500063	standard
3.41859	0.397894	standard
4.11167	0.892163	standard
4.11795	1.00157	standard
4.12003	0.998946	standard
4.12625	0.887942	standard
1.96617	0.0765665	standard
1.97142	0.202979	standard
1.97213	0.196775	standard
1.97638	0.291235	standard
1.97742	0.368934	standard
1.98136	0.449921	standard
1.98219	0.521353	standard
1.98725	0.6989	standard
1.99252	0.452335	standard
1.99338	0.478801	standard
1.99963	0.436341	standard
2.00557	0.524426	standard
2.00623	0.51321	standard
2.01118	0.538627	standard
2.01638	0.377148	standard
2.02108	0.245054	standard
2.02651	0.103624	standard
2.04544	0.284528	standard
2.05069	0.536498	standard
2.05191	0.312284	standard
2.05588	0.576746	standard
2.05731	0.469298	standard
2.06109	0.595731	standard
2.06249	0.49068	standard
2.06635	0.333082	standard
2.06775	0.454444	standard
2.073	0.202817	standard
2.32371	0.236935	standard
2.33	0.439582	standard
2.33414	0.315694	standard
2.33614	0.485648	standard
2.34025	0.452327	standard
2.3425	0.323069	standard
2.34658	0.419836	standard
2.35299	0.220695	standard
3.31382	0.405787	standard
3.31912	0.723345	standard
3.32276	0.583403	standard
3.32438	0.509116	standard
3.32803	0.885501	standard
3.33334	0.500892	standard
3.39698	0.498063	standard
3.40182	0.616063	standard
3.40298	0.627348	standard
3.40588	0.496949	standard
3.40782	0.574992	standard
3.41067	0.520148	standard
3.41187	0.503928	standard
3.41671	0.404214	standard
4.11281	0.884357	standard
4.11814	1.00064	standard
4.11986	1.00174	standard
4.12514	0.888166	standard

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