<spin_simulation>
	<version>2</version>
	<name>Inosine</name>
	<ID>bmse000098</ID>
	<SRC name="BMRB" ID="bmse000098"></SRC>
	<InChI>InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1</InChI>
	<comp_db_link>
		<db_link DBname="CAS Registry" Accession_code="12712-98-0"></db_link>
		<db_link DBname="CAS Registry" Accession_code="132953-54-9"></db_link>
		<db_link DBname="CAS Registry" Accession_code="28861-88-3"></db_link>
		<db_link DBname="CAS Registry" Accession_code="4181-51-5"></db_link>
		<db_link DBname="CAS Registry" Accession_code="58-63-9"></db_link>
	</comp_db_link>
	<mol_file_path>./bmse000098.mol</mol_file_path>
	<experimental_spectrum>
		<type>Bruker</type>
		<root_folder>./1H/</root_folder>
	</experimental_spectrum>
	<field_strength>400.13</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>./bmse000098_.jpg</path_2D_image>
	<num_split_matrices>0</num_split_matrices>
	<roi_rmsd>0.02092</roi_rmsd>
	<notes>
		<status>done</status>
		<note></note>
	</notes>
	<coupling_matrix>
		<label>merged</label>
		<index>1</index>
		<lw>1.400</lw>
		<peak_shape_coefficients>
			<lorentzian>0.957</lorentzian>
			<gaussian>0.043</gaussian>
		</peak_shape_coefficients>
		<water_region>
			<min_ppm>4.79</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="23"></spin>
			<spin index="2" name="22"></spin>
			<spin index="3" name="27"></spin>
			<spin index="4" name="26"></spin>
			<spin index="5" name="25"></spin>
			<spin index="6" name="24"></spin>
			<spin index="7" name="20"></spin>
			<spin index="8" name="21"></spin>
		</spin_names>
		<chemical_shifts_ppm>
			<cs index="1" ppm="8.31050"></cs>
			<cs index="2" ppm="8.18889"></cs>
			<cs index="3" ppm="6.06592"></cs>
			<cs index="4" ppm="4.75200"></cs>
			<cs index="5" ppm="4.43800"></cs>
			<cs index="6" ppm="4.27752"></cs>
			<cs index="7" ppm="3.84815"></cs>
			<cs index="8" ppm="3.92041"></cs>
		</chemical_shifts_ppm>
		<couplings_Hz>
			<coupling from_index="3" to_index="4" value="5.6969040"></coupling>
			<coupling from_index="4" to_index="5" value="5.2103170"></coupling>
			<coupling from_index="5" to_index="6" value="3.9362130"></coupling>
			<coupling from_index="6" to_index="7" value="4.0689740"></coupling>
			<coupling from_index="6" to_index="8" value="3.8655320"></coupling>
			<coupling from_index="7" to_index="8" value="-12.7666920"></coupling>
		</couplings_Hz>
		<peak_list>
		</peak_list>
		<spectrum>
		</spectrum>
	</coupling_matrix>
</spin_simulation>