data_5870 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural Studies of Cu(I)-Bleomycin ; _BMRB_accession_number 5870 _BMRB_flat_file_name bmr5870.str _Entry_type original _Submission_date 2003-07-16 _Accession_date 2003-07-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Both forms of BLM have been studied, BLM-A2: R = -NH(CH2)3S+(CH3)2 and BLM-B2: R= -NH(CH2)4NHC(NH)(NH2). However, the only difference between these two molecules is in the C-terminal region, which was not included in the structure calculations. The part of the molecule considered in the molecular dynamics study is that that is exactly the same for both molecules. Regarding the NMR data, there are only a few signals (those of the tail and bithiazole rings) that are different for BLM-A2 and BLM-B2. The PDB structural data is the same for both forms. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lehmann T. E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 70 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-10-25 original author . stop_ _Original_release_date 2004-10-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Study of Cu(I)-Bleomycin' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15015041 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lehmann T. E. . stop_ _Journal_abbreviation 'J. Biol. Inorg. Chem.' _Journal_volume 9 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 323 _Page_last 334 _Year 2004 _Details . loop_ _Keyword 'metal complex' stop_ save_ ################################## # Molecular system description # ################################## save_system_BLEOMYCIN_A2 _Saveframe_category molecular_system _Mol_system_name 'BLEOMYCIN A2' _Abbreviation_common 'BLEOMYCIN A2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'BLEOMYCIN A2' $BLM 'COPPER (I) ION' $CU1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ############# # Ligands # ############# save_BLM _Saveframe_category ligand _Mol_type non-polymer _Name_common 'BLEOMYCIN A2' _Abbreviation_common BLM _BMRB_code . _PDB_code BLM _Molecular_mass 1416.560 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:24:53 2011 ; _Synonym N1-[3-(DIMETHYLSULFONIO)-PROPYL]BLEOMYCINAMIDE loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons NA NA N . 0 . ? C2 C2 C . 0 . ? C1 C1 C . 0 . ? O1 O1 O . 0 . ? NC NC N . 0 . ? C3 C3 C . 0 . ? NB NB N . 0 . ? ND ND N . 0 . ? C5 C5 C . 0 . ? C4 C4 C . 0 . ? O4 O4 O . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? C10 C10 C . 0 . ? NG NG N . 0 . ? C7 C7 C . 0 . ? NE NE N . 0 . ? C6 C6 C . 0 . ? NF NF N . 0 . ? CA CA C . 0 . ? C12 C12 C . 0 . ? O12 O12 O . 0 . ? NH NH N . 0 . ? C13 C13 C . 0 . ? C30 C30 C . 0 . ? O30 O30 O . 0 . ? C14 C14 C . 0 . ? C27 C27 C . 0 . ? OH1 OH1 O . 0 . ? NJ NJ N . 0 . ? C28 C28 C . 0 . ? C29 C29 C . 0 . ? NI NI N . 0 . ? NK NK N . 0 . ? C34 C34 C . 0 . ? C36 C36 C . 0 . ? O36 O36 O . 0 . ? OH2 OH2 O . 0 . ? C31 C31 C . 0 . ? CB CB C . 0 . ? C33 C33 C . 0 . ? CC CC C . 0 . ? NL NL N . 0 . ? C37 C37 C . 0 . ? C40 C40 C . 0 . ? O40 O40 O . 0 . ? C38 C38 C . 0 . ? OH3 OH3 O . 0 . ? CD CD C . 0 . ? NM NM N . 0 . ? C42 C42 C . 0 . ? C49 C49 C . 0 . ? O49 O49 O . 0 . ? C43 C43 C . 0 . ? C41 C41 C . 0 . ? S43 S43 S . 0 . ? C44 C44 C . 0 . ? C45 C45 C . 0 . ? NN NN N . 0 . ? C47 C47 C . 0 . ? C48 C48 C . 0 . ? NO NO N . 0 . ? C46 C46 C . 0 . ? S46 S46 S . 0 . ? NP NP N . 0 . ? C50 C50 C . 0 . ? C51 C51 C . 0 . ? C52 C52 C . 0 . ? S53 S53 S . 0 . ? C55 C55 C . 0 . ? C54 C54 C . 0 . ? O59 O59 O . 0 . ? O58 O58 O . 0 . ? C61 C61 C . 0 . ? O61 O61 O . 0 . ? O56 O56 O . 0 . ? C60 C60 C . 0 . ? O62 O62 O . 0 . ? C63 C63 C . 0 . ? C57 C57 C . 0 . ? C58 C58 C . 0 . ? C59 C59 C . 0 . ? C69 C69 C . 0 . ? C68 C68 C . 0 . ? C67 C67 C . 0 . ? C65 C65 C . 0 . ? O64 O64 O . 0 . ? C64 C64 C . 0 . ? O68 O68 O . 0 . ? O67 O67 O . 0 . ? O69 O69 O . 0 . ? NQ NQ N . 0 . ? C70 C70 C . 0 . ? O70 O70 O . 0 . ? O66 O66 O . 0 . ? C66 C66 C . 0 . ? HA2 HA2 H . 0 . ? HA1 HA1 H . 0 . ? H2 H2 H . 0 . ? HNC HNC H . 0 . ? H3E H3E H . 0 . ? H3X H3X H . 0 . ? HB1 HB1 H . 0 . ? HB2 HB2 H . 0 . ? HD2 HD2 H . 0 . ? HD1 HD1 H . 0 . ? H5E H5E H . 0 . ? H5X H5X H . 0 . ? H6 H6 H . 0 . ? HF2 HF2 H . 0 . ? HF1 HF1 H . 0 . ? HAA HAA H . 0 . ? HAB HAB H . 0 . ? HAC HAC H . 0 . ? HNH HNH H . 0 . ? H13 H13 H . 0 . ? H14 H14 H . 0 . ? H28 H28 H . 0 . ? H29 H29 H . 0 . ? HNI HNI H . 0 . ? HNK HNK H . 0 . ? H34 H34 H . 0 . ? HO2 HO2 H . 0 . ? H31 H31 H . 0 . ? HBA HBA H . 0 . ? HBB HBB H . 0 . ? HBC HBC H . 0 . ? H33 H33 H . 0 . ? HCB HCB H . 0 . ? HCC HCC H . 0 . ? HCA HCA H . 0 . ? HNL HNL H . 0 . ? H37 H37 H . 0 . ? H38 H38 H . 0 . ? HO3 HO3 H . 0 . ? HDB HDB H . 0 . ? HDC HDC H . 0 . ? HDA HDA H . 0 . ? HNM HNM H . 0 . ? H2E H2E H . 0 . ? H2X H2X H . 0 . ? H1E H1E H . 0 . ? H1X H1X H . 0 . ? H44 H44 H . 0 . ? H47 H47 H . 0 . ? HNP HNP H . 0 . ? H501 H501 H . 0 . ? H502 H502 H . 0 . ? H511 H511 H . 0 . ? H512 H512 H . 0 . ? H521 H521 H . 0 . ? H522 H522 H . 0 . ? H53 H53 H . 0 . ? H551 H551 H . 0 . ? H552 H552 H . 0 . ? H553 H553 H . 0 . ? H541 H541 H . 0 . ? H542 H542 H . 0 . ? H543 H543 H . 0 . ? HO59 HO59 H . 0 . ? HO58 HO58 H . 0 . ? H611 H611 H . 0 . ? H612 H612 H . 0 . ? HO61 HO61 H . 0 . ? H60 H60 H . 0 . ? H63 H63 H . 0 . ? H57 H57 H . 0 . ? H58 H58 H . 0 . ? H59 H59 H . 0 . ? H69 H69 H . 0 . ? H68 H68 H . 0 . ? H67 H67 H . 0 . ? H65 H65 H . 0 . ? H64 H64 H . 0 . ? HO67 HO67 H . 0 . ? HO69 HO69 H . 0 . ? HNQ1 HNQ1 H . 0 . ? HNQ2 HNQ2 H . 0 . ? HO66 HO66 H . 0 . ? H661 H661 H . 0 . ? H662 H662 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING NA C1 ? ? SING NA HA2 ? ? SING NA HA1 ? ? SING C2 C1 ? ? SING C2 C3 ? ? SING C2 NB ? ? SING C2 H2 ? ? DOUB C1 O1 ? ? SING NC C3 ? ? SING NC C6 ? ? SING NC HNC ? ? SING C3 H3E ? ? SING C3 H3X ? ? SING NB HB1 ? ? SING NB HB2 ? ? SING ND C4 ? ? SING ND HD2 ? ? SING ND HD1 ? ? SING C5 C4 ? ? SING C5 C6 ? ? SING C5 H5E ? ? SING C5 H5X ? ? DOUB C4 O4 ? ? DOUB C8 C9 ? ? SING C8 NE ? ? SING C8 NF ? ? SING C9 C10 ? ? SING C9 CA ? ? DOUB C10 NG ? ? SING C10 C12 ? ? SING NG C7 ? ? DOUB C7 NE ? ? SING C7 C6 ? ? SING C6 H6 ? ? SING NF HF2 ? ? SING NF HF1 ? ? SING CA HAA ? ? SING CA HAB ? ? SING CA HAC ? ? DOUB C12 O12 ? ? SING C12 NH ? ? SING NH C13 ? ? SING NH HNH ? ? SING C13 C30 ? ? SING C13 C14 ? ? SING C13 H13 ? ? DOUB C30 O30 ? ? SING C30 NK ? ? SING C14 C27 ? ? SING C14 OH1 ? ? SING C14 H14 ? ? SING C27 NJ ? ? DOUB C27 C28 ? ? SING OH1 C63 ? ? DOUB NJ C29 ? ? SING C28 NI ? ? SING C28 H28 ? ? SING C29 NI ? ? SING C29 H29 ? ? SING NI HNI ? ? SING NK C31 ? ? SING NK HNK ? ? SING C34 C36 ? ? SING C34 C33 ? ? SING C34 CC ? ? SING C34 H34 ? ? DOUB C36 O36 ? ? SING C36 NL ? ? SING OH2 C33 ? ? SING OH2 HO2 ? ? SING C31 CB ? ? SING C31 C33 ? ? SING C31 H31 ? ? SING CB HBA ? ? SING CB HBB ? ? SING CB HBC ? ? SING C33 H33 ? ? SING CC HCB ? ? SING CC HCC ? ? SING CC HCA ? ? SING NL C37 ? ? SING NL HNL ? ? SING C37 C40 ? ? SING C37 C38 ? ? SING C37 H37 ? ? DOUB C40 O40 ? ? SING C40 NM ? ? SING C38 OH3 ? ? SING C38 CD ? ? SING C38 H38 ? ? SING OH3 HO3 ? ? SING CD HDB ? ? SING CD HDC ? ? SING CD HDA ? ? SING NM C41 ? ? SING NM HNM ? ? SING C42 C43 ? ? SING C42 C41 ? ? SING C42 H2E ? ? SING C42 H2X ? ? DOUB C49 O49 ? ? SING C49 C48 ? ? SING C49 NP ? ? SING C43 S43 ? ? DOUB C43 NN ? ? SING C41 H1E ? ? SING C41 H1X ? ? SING S43 C44 ? ? DOUB C44 C45 ? ? SING C44 H44 ? ? SING C45 NN ? ? SING C45 C46 ? ? DOUB C47 C48 ? ? SING C47 S46 ? ? SING C47 H47 ? ? SING C48 NO ? ? DOUB NO C46 ? ? SING C46 S46 ? ? SING NP C50 ? ? SING NP HNP ? ? SING C50 C51 ? ? SING C50 H501 ? ? SING C50 H502 ? ? SING C51 C52 ? ? SING C51 H511 ? ? SING C51 H512 ? ? SING C52 S53 ? ? SING C52 H521 ? ? SING C52 H522 ? ? SING S53 C55 ? ? SING S53 C54 ? ? SING S53 H53 ? ? SING C55 H551 ? ? SING C55 H552 ? ? SING C55 H553 ? ? SING C54 H541 ? ? SING C54 H542 ? ? SING C54 H543 ? ? SING O59 C59 ? ? SING O59 HO59 ? ? SING O58 C58 ? ? SING O58 HO58 ? ? SING C61 O61 ? ? SING C61 C60 ? ? SING C61 H611 ? ? SING C61 H612 ? ? SING O61 HO61 ? ? SING O56 C57 ? ? SING O56 C64 ? ? SING C60 O62 ? ? SING C60 C59 ? ? SING C60 H60 ? ? SING O62 C63 ? ? SING C63 C57 ? ? SING C63 H63 ? ? SING C57 C58 ? ? SING C57 H57 ? ? SING C58 C59 ? ? SING C58 H58 ? ? SING C59 H59 ? ? SING C69 C68 ? ? SING C69 C64 ? ? SING C69 O69 ? ? SING C69 H69 ? ? SING C68 C67 ? ? SING C68 O68 ? ? SING C68 H68 ? ? SING C67 C65 ? ? SING C67 O67 ? ? SING C67 H67 ? ? SING C65 O64 ? ? SING C65 C66 ? ? SING C65 H65 ? ? SING O64 C64 ? ? SING C64 H64 ? ? SING O68 C70 ? ? SING O67 HO67 ? ? SING O69 HO69 ? ? SING NQ C70 ? ? SING NQ HNQ1 ? ? SING NQ HNQ2 ? ? DOUB C70 O70 ? ? SING O66 C66 ? ? SING O66 HO66 ? ? SING C66 H661 ? ? SING C66 H662 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_CU1 _Saveframe_category ligand _Mol_type non-polymer _Name_common "CU1 (COPPER (I) ION)" _BMRB_code . _PDB_code CU1 _Molecular_mass 63.546 _Mol_charge 1 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 11:21:40 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CU CU CU . 1 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $BLM 'Streptomyces verticillus' 29309 Bacteria . Streptomyces verticillus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $BLM 'purified from the natural source' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $BLM 5 mM . $CU1 5 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $BLM 5 mM . $CU1 5 mM . D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.5 loop_ _Task collection stop_ _Details Bruker save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2002 loop_ _Task processing stop_ _Details 'Delaglio, F., Grzesiek, S., Bax, A., Vuister, G. W., Zhu, G., and Pfeifer, J.' save_ save_DISCOVER _Saveframe_category software _Name DISCOVER _Version 2003 loop_ _Task refinement 'structure solution' stop_ _Details Accelrys save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 5 . mM pH 8.1 . n/a pressure 1 . atm temperature 278 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'BLEOMYCIN A2' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 BLM HA2 H 7.91 . 2 2 . 1 BLM HA1 H 7.18 . 2 3 . 1 BLM H2 H 3.98 . 1 4 . 1 BLM H3E H 3.09 . 2 5 . 1 BLM H3X H 2.51 . 2 6 . 1 BLM HB1 H 6.81 . 2 7 . 1 BLM HB2 H 6.38 . 2 8 . 1 BLM HD2 H 7.79 . 2 9 . 1 BLM HD1 H 7.00 . 2 10 . 1 BLM H5E H 2.77 . 2 11 . 1 BLM H5X H 2.61 . 2 12 . 1 BLM H6 H 4.08 . 1 13 . 1 BLM HF2 H 6.77 . 1 14 . 1 BLM HF1 H 6.77 . 1 15 . 1 BLM HAA H 1.97 . 1 16 . 1 BLM HAB H 1.97 . 1 17 . 1 BLM HAC H 1.97 . 1 18 . 1 BLM H13 H 4.95 . 1 19 . 1 BLM H14 H 5.22 . 1 20 . 1 BLM H28 H 7.25 . 1 21 . 1 BLM H29 H 7.85 . 1 22 . 1 BLM HNH H 9.41 . 1 23 . 1 BLM HNK H 8.23 . 1 24 . 1 BLM H34 H 2.37 . 1 25 . 1 BLM H31 H 3.77 . 1 26 . 1 BLM HBA H 1.04 . 1 27 . 1 BLM HBB H 1.04 . 1 28 . 1 BLM HBC H 1.04 . 1 29 . 1 BLM H33 H 3.68 . 1 30 . 1 BLM HCA H 1.04 . 1 31 . 1 BLM HCB H 1.04 . 1 32 . 1 BLM HCC H 1.04 . 1 33 . 1 BLM HNL H 8.06 . 1 34 . 1 BLM H37 H 4.13 . 1 35 . 1 BLM H38 H 4.00 . 1 36 . 1 BLM HDA H 1.03 . 1 37 . 1 BLM HDB H 1.03 . 1 38 . 1 BLM HDC H 1.03 . 1 39 . 1 BLM HNM H 8.35 . 1 40 . 1 BLM H2E H 3.17 . 1 41 . 1 BLM H2X H 3.17 . 1 42 . 1 BLM H1E H 3.54 . 1 43 . 1 BLM H1X H 3.54 . 1 44 . 1 BLM H44 H 8.11 . 1 45 . 1 BLM H47 H 7.88 . 1 46 . 1 BLM 1H50 H 3.59 . 1 47 . 1 BLM 2H50 H 3.59 . 1 48 . 1 BLM 1H51 H 2.15 . 1 49 . 1 BLM 2H51 H 2.15 . 1 50 . 1 BLM 1H52 H 3.42 . 1 51 . 1 BLM 2H52 H 3.42 . 1 52 . 1 BLM 1H55 H 2.86 . 1 53 . 1 BLM 2H55 H 2.86 . 1 54 . 1 BLM 3H55 H 2.86 . 1 55 . 1 BLM 1H61 H 3.49 . 2 56 . 1 BLM 2H61 H 3.39 . 2 57 . 1 BLM H60 H 3.99 . 1 58 . 1 BLM H63 H 5.20 . 1 59 . 1 BLM H57 H 3.96 . 1 60 . 1 BLM H58 H 4.05 . 1 61 . 1 BLM H59 H 3.76 . 1 62 . 1 BLM H69 H 3.87 . 1 63 . 1 BLM H68 H 4.51 . 1 64 . 1 BLM H67 H 3.68 . 1 65 . 1 BLM H65 H 3.69 . 1 66 . 1 BLM H64 H 4.96 . 1 67 . 1 BLM 1HNQ H 6.39 . 2 68 . 1 BLM 2HNQ H 6.09 . 2 69 . 1 BLM 1H66 H 3.86 . 2 70 . 1 BLM 2H66 H 3.70 . 2 stop_ save_