<spin_simulation>
	<version>2</version>
	<name>1-3-Diaminopropane</name>
	<ID>bmse000001</ID>
	<SRC name="BMRB" ID="bmse000001"></SRC>
	<InChI>InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2</InChI>
	<comp_db_link>
		<db_link DBname="CAS Registry" Accession_code="10517-44-9"></db_link>
		<db_link DBname="CAS Registry" Accession_code="109-76-2"></db_link>
		<db_link DBname="CAS Registry" Accession_code="54018-94-9"></db_link>
	</comp_db_link>
	<mol_file_path>./bmse000001.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>./bmse000001_.jpg</path_2D_image>
	<num_split_matrices>0</num_split_matrices>
	<roi_rmsd>0.01801</roi_rmsd>
	<notes>
		<status>done</status>
		<note>high pH. dissolved DAP in D2O.</note>
	</notes>
	<coupling_matrix>
		<label>merged</label>
		<index>1</index>
		<lw>1.776</lw>
		<peak_shape_coefficients>
			<lorentzian>57.864</lorentzian>
			<gaussian>3.103</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="6"></spin>
			<spin index="2" name="7"></spin>
			<spin index="3" name="8"></spin>
			<spin index="4" name="9"></spin>
			<spin index="5" name="10"></spin>
			<spin index="6" name="11"></spin>
		</spin_names>
		<chemical_shifts_ppm>
			<cs index="1" ppm="1.70411"></cs>
			<cs index="2" ppm="1.70963"></cs>
			<cs index="3" ppm="2.77812"></cs>
			<cs index="4" ppm="2.77827"></cs>
			<cs index="5" ppm="2.77833"></cs>
			<cs index="6" ppm="2.77872"></cs>
		</chemical_shifts_ppm>
		<couplings_Hz>
			<coupling from_index="1" to_index="2" value="-15.5750124"></coupling>
			<coupling from_index="1" to_index="3" value="8.4548350"></coupling>
			<coupling from_index="1" to_index="4" value="8.0413431"></coupling>
			<coupling from_index="1" to_index="5" value="10.5831779"></coupling>
			<coupling from_index="1" to_index="6" value="7.8995913"></coupling>
			<coupling from_index="2" to_index="3" value="9.4991904"></coupling>
			<coupling from_index="2" to_index="4" value="5.1172126"></coupling>
			<coupling from_index="2" to_index="5" value="9.3221997"></coupling>
			<coupling from_index="2" to_index="6" value="7.1109243"></coupling>
			<coupling from_index="3" to_index="4" value="-11.7440945"></coupling>
			<coupling from_index="3" to_index="5" value="-0.0491732"></coupling>
			<coupling from_index="3" to_index="6" value="0.4237207"></coupling>
			<coupling from_index="4" to_index="5" value="0.5321263"></coupling>
			<coupling from_index="4" to_index="6" value="0.0460736"></coupling>
			<coupling from_index="5" to_index="6" value="-12.1448181"></coupling>
		</couplings_Hz>
		<peak_list>
		</peak_list>
		<spectrum>
		</spectrum>
	</coupling_matrix>
</spin_simulation>