<spin_simulation>
	<version>2</version>
	<name>L-lysine</name>
	<ID>bmse000914</ID>
	<SRC name="BMRB" ID="bmse000914"></SRC>
	<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</InChI>
	<comp_db_link>
		<db_link DBname="CAS Registry" Accession_code="280114-50-3"></db_link>
		<db_link DBname="CAS Registry" Accession_code="48050-57-3"></db_link>
		<db_link DBname="CAS Registry" Accession_code="56-87-1"></db_link>
		<db_link DBname="CAS Registry" Accession_code="57282-49-2"></db_link>
		<db_link DBname="CAS Registry" Accession_code="657-27-2"></db_link>
		<db_link DBname="CAS Registry" Accession_code="6899-06-5"></db_link>
	</comp_db_link>
	<mol_file_path>./bmse000914.mol</mol_file_path>
	<experimental_spectrum>
		<type>Bruker</type>
		<root_folder>./1H/</root_folder>
	</experimental_spectrum>
	<field_strength>600.13</field_strength>
	<field_strength_applied_flag>1</field_strength_applied_flag>
	<num_simulation_points>32768</num_simulation_points>
	<num_simulation_points_applied_flag>1</num_simulation_points_applied_flag>
	<path_2D_image>./bmse000043_.jpg</path_2D_image>
	<num_split_matrices>0</num_split_matrices>
	<roi_rmsd>0.01182</roi_rmsd>
	<notes>
		<status>Done</status>
		<note>see 43 @ 500MHz</note>
	</notes>
	<coupling_matrix>
		<label>merged</label>
		<index>1</index>
		<lw>0.911</lw>
		<peak_shape_coefficients>
			<lorentzian>1.000</lorentzian>
			<gaussian>0.000</gaussian>
		</peak_shape_coefficients>
		<water_region>
			<min_ppm>4.6</min_ppm>
			<max_ppm>5</max_ppm>
			<remove_flag>1</remove_flag>
		</water_region>
		<DSS_region>
			<min_ppm>-.1</min_ppm>
			<max_ppm>.1</max_ppm>
			<remove_flag>1</remove_flag>
		</DSS_region>
		<additional_coupling_constants>
		</additional_coupling_constants>
		<spin_names>
			<spin index="1" name="19"></spin>
			<spin index="2" name="15"></spin>
			<spin index="3" name="16"></spin>
			<spin index="4" name="11"></spin>
			<spin index="5" name="12"></spin>
			<spin index="6" name="13"></spin>
			<spin index="7" name="14"></spin>
			<spin index="8" name="17"></spin>
			<spin index="9" name="18"></spin>
		</spin_names>
		<chemical_shifts_ppm>
			<cs index="1" ppm="3.74770"></cs>
			<cs index="2" ppm="1.88287"></cs>
			<cs index="3" ppm="1.91198"></cs>
			<cs index="4" ppm="1.50073"></cs>
			<cs index="5" ppm="1.43385"></cs>
			<cs index="6" ppm="1.71251"></cs>
			<cs index="7" ppm="1.72263"></cs>
			<cs index="8" ppm="3.01193"></cs>
			<cs index="9" ppm="3.01193"></cs>
		</chemical_shifts_ppm>
		<couplings_Hz>
			<coupling from_index="1" to_index="2" value="6.3691938"></coupling>
			<coupling from_index="1" to_index="3" value="5.5800445"></coupling>
			<coupling from_index="2" to_index="3" value="-19.8213501"></coupling>
			<coupling from_index="2" to_index="4" value="11.6517409"></coupling>
			<coupling from_index="2" to_index="5" value="4.6598395"></coupling>
			<coupling from_index="3" to_index="4" value="4.6598395"></coupling>
			<coupling from_index="3" to_index="5" value="11.6517409"></coupling>
			<coupling from_index="4" to_index="5" value="-13.1307817"></coupling>
			<coupling from_index="4" to_index="6" value="10.0345336"></coupling>
			<coupling from_index="4" to_index="7" value="5.2184717"></coupling>
			<coupling from_index="5" to_index="6" value="5.2184717"></coupling>
			<coupling from_index="5" to_index="7" value="10.0345336"></coupling>
			<coupling from_index="6" to_index="7" value="-15.0883745"></coupling>
			<coupling from_index="6" to_index="8" value="7.5888817"></coupling>
			<coupling from_index="6" to_index="9" value="7.5888817"></coupling>
			<coupling from_index="7" to_index="8" value="7.5888817"></coupling>
			<coupling from_index="7" to_index="9" value="7.5888817"></coupling>
			<coupling from_index="8" to_index="9" value="-16.0000000"></coupling>
		</couplings_Hz>
		<peak_list>
		</peak_list>
		<spectrum>
		</spectrum>
	</coupling_matrix>
</spin_simulation>