<spin_simulation>
	<version>2</version>
	<name>L-cysteine</name>
	<ID>bmse000034</ID>
	<SRC name="BMRB" ID="bmse000034"></SRC>
	<InChI>InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1</InChI>
	<comp_db_link>
		<db_link DBname="CAS Registry" Accession_code="4371-52-2"></db_link>
		<db_link DBname="CAS Registry" Accession_code="52-90-4"></db_link>
		<db_link DBname="CAS Registry" Accession_code="7048-04-6"></db_link>
	</comp_db_link>
	<mol_file_path>./bmse000975.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>./bmse000975_.jpg</path_2D_image>
	<num_split_matrices>0</num_split_matrices>
	<roi_rmsd>0.01509</roi_rmsd>
	<notes>
		<status>done</status>
		<note></note>
	</notes>
	<coupling_matrix>
		<label>merged</label>
		<index>1</index>
		<lw>0.852</lw>
		<peak_shape_coefficients>
			<lorentzian>0.500</lorentzian>
			<gaussian>0.500</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="8"></spin>
			<spin index="2" name="9"></spin>
			<spin index="3" name="10"></spin>
		</spin_names>
		<chemical_shifts_ppm>
			<cs index="1" ppm="3.07809"></cs>
			<cs index="2" ppm="3.01407"></cs>
			<cs index="3" ppm="3.95589"></cs>
		</chemical_shifts_ppm>
		<couplings_Hz>
			<coupling from_index="1" to_index="2" value="-14.9650972"></coupling>
			<coupling from_index="1" to_index="3" value="5.7961038"></coupling>
			<coupling from_index="2" to_index="3" value="4.2041275"></coupling>
		</couplings_Hz>
		<peak_list>
		</peak_list>
		<spectrum>
		</spectrum>
	</coupling_matrix>
</spin_simulation>