<spin_simulation>
	<version>2</version>
	<name>L-tyrosine</name>
	<ID>bmse000051</ID>
	<SRC name="BMRB" ID="bmse000051"></SRC>
	<InChI>InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1</InChI>
	<comp_db_link>
		<db_link DBname="CAS Registry" Accession_code="140-43-2"></db_link>
		<db_link DBname="CAS Registry" Accession_code="1991-85-1"></db_link>
		<db_link DBname="CAS Registry" Accession_code="46209-14-7"></db_link>
		<db_link DBname="CAS Registry" Accession_code="55520-40-6"></db_link>
		<db_link DBname="CAS Registry" Accession_code="60-18-4"></db_link>
	</comp_db_link>
	<mol_file_path>./bmse000051.mol</mol_file_path>
	<experimental_spectrum>
		<type>Bruker</type>
		<root_folder>./1H/</root_folder>
	</experimental_spectrum>
	<field_strength>499.84</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>./bmse000051_.jpg</path_2D_image>
	<num_split_matrices>0</num_split_matrices>
	<roi_rmsd>0.01231</roi_rmsd>
	<notes>
		<status>done</status>
		<note></note>
	</notes>
	<coupling_matrix>
		<label>merged</label>
		<index>1</index>
		<lw>1.042</lw>
		<peak_shape_coefficients>
			<lorentzian>1.000</lorentzian>
			<gaussian>0.000</gaussian>
		</peak_shape_coefficients>
		<water_region>
			<min_ppm>4.5</min_ppm>
			<max_ppm>5</max_ppm>
			<remove_flag>1</remove_flag>
		</water_region>
		<DSS_region>
			<min_ppm>-0.1</min_ppm>
			<max_ppm>0.1</max_ppm>
			<remove_flag>1</remove_flag>
		</DSS_region>
		<additional_coupling_constants>
		</additional_coupling_constants>
		<spin_names>
			<spin index="1" name="14"></spin>
			<spin index="2" name="16"></spin>
			<spin index="3" name="17"></spin>
			<spin index="4" name="15"></spin>
			<spin index="5" name="18"></spin>
			<spin index="6" name="19"></spin>
			<spin index="7" name="20"></spin>
		</spin_names>
		<chemical_shifts_ppm>
			<cs index="1" ppm="6.99574"></cs>
			<cs index="2" ppm="6.59396"></cs>
			<cs index="3" ppm="6.59326"></cs>
			<cs index="4" ppm="6.99296"></cs>
			<cs index="5" ppm="2.69030"></cs>
			<cs index="6" ppm="2.85406"></cs>
			<cs index="7" ppm="3.41919"></cs>
		</chemical_shifts_ppm>
		<couplings_Hz>
			<coupling from_index="1" to_index="2" value="7.5043490"></coupling>
			<coupling from_index="1" to_index="4" value="2.0002790"></coupling>
			<coupling from_index="3" to_index="4" value="7.8655180"></coupling>
			<coupling from_index="5" to_index="6" value="-13.9410400"></coupling>
			<coupling from_index="5" to_index="7" value="7.1533640"></coupling>
			<coupling from_index="6" to_index="7" value="5.1592450"></coupling>
		</couplings_Hz>
		<peak_list>
		</peak_list>
		<spectrum>
		</spectrum>
	</coupling_matrix>
</spin_simulation>