data_16847 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16847 _Entry.Title ; Assignments for LC8 bound to a peptide corresponding to residues 233-249 of neuronal Nitric Oxide Synthase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-07 _Entry.Accession_date 2010-04-07 _Entry.Last_release_date 2010-04-30 _Entry.Original_release_date 2010-04-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'H, N Ca, Cb assignments for LC8 bound to a peptide corresponding to residues 233-249 of neuronal Nitric Oxide Synthase' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Justin Hall . . . 16847 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16847 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 89 16847 '1H chemical shifts' 88 16847 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-04-30 2010-04-07 original author . 16847 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16847 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Assignments for LC8 bound to a peptide corresponding to residues 233-249 of neuronal Nitric Oxide Synthase' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Justin Hall . . . 16847 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16847 _Assembly.ID 1 _Assembly.Name 'LC8 bound to residues 233-249 of neuronal Nitric Oxide Synthase' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 LC8 1 $LC8 A . yes native no no . . . 16847 1 2 nNOS 2 $nNOS B . no native no no . . . 16847 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LC8 _Entity.Sf_category entity _Entity.Sf_framecode LC8 _Entity.Entry_ID 16847 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LC8 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSDRKAVIKNADMSEEMQQD AVDCATQALEKYNIEKDIAA YIKKEFDKKYNPTWHCIVGR NFGSYVTHETRHFIYFYLGQ VAILLFKSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15076 . LC8 . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 16847 1 2 no BMRB 15077 . LC8 . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 16847 1 3 no BMRB 15078 . LC8 . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 16847 1 4 no BMRB 15953 . H55K_mutant_of_LC8 . . . . . 100.00 89 98.88 98.88 3.29e-58 . . . . 16847 1 5 no BMRB 17692 . DLC8 . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 16847 1 6 no PDB 1RHW . "The Solution Structure Of The Ph-Induced Monomer Of Dynein Light Chain Lc8 From Drosophila" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 16847 1 7 no PDB 2P2T . "Crystal Structure Of Dynein Light Chain Lc8 Bound To Residues 123-138 Of Intermediate Chain Ic74" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 16847 1 8 no PDB 2PG1 . "Structural Analysis Of A Cytoplasmic Dynein Light Chain- Intermediate Chain Complex" . . . . . 100.00 91 100.00 100.00 2.14e-59 . . . . 16847 1 9 no PDB 3BRI . "Crystal Structure Of Apo-Lc8" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 16847 1 10 no PDB 3BRL . "Crystal Structure Of Lc8 S88e SWA" . . . . . 100.00 89 98.88 98.88 1.11e-58 . . . . 16847 1 11 no PDB 3DVH . "Lc8 Point Mutant K36p" . . . . . 100.00 91 98.88 98.88 1.27e-58 . . . . 16847 1 12 no PDB 3DVP . "Pak1 Peptide Bound Lc8" . . . . . 100.00 91 98.88 98.88 1.27e-58 . . . . 16847 1 13 no PDB 3DVT . "Biochemical And Structural Characterization Of The Pak1- Lc8 Interaction" . . . . . 100.00 91 100.00 100.00 2.14e-59 . . . . 16847 1 14 no PDB 3E2B . "Crystal Structure Of Dynein Light Chain Lc8 In Complex With A Peptide Derived From Swallow" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 16847 1 15 no PDB 3FM7 . "Quaternary Structure Of Drosophila Melanogaster IcTCTEX-1LC8; Allosteric Interactions Of Dynein Light Chains With Dynein Interm" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 16847 1 16 no PDB 3GLW . "Quaternary Structure Of Drosophila Melanogaster IcTCTEX-1LC8; Allosteric Interactions Of Dynein Light Chains With Dynein Interm" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 16847 1 17 no PDB 4QH7 . "Lc8 - Ana2 (159-168) Complex" . . . . . 100.00 94 100.00 100.00 2.39e-59 . . . . 16847 1 18 no PDB 4QH8 . "Lc8 - Ana2 (237-246) Complex" . . . . . 100.00 94 100.00 100.00 2.39e-59 . . . . 16847 1 19 no EMBL CDQ62741 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 100.00 132 97.75 100.00 1.72e-57 . . . . 16847 1 20 no EMBL CDQ75050 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 100.00 89 97.75 100.00 2.92e-58 . . . . 16847 1 21 no GB AAB04148 . "cytoplasmic dynein light chain 1 [Drosophila melanogaster]" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 16847 1 22 no GB AAD00072 . "8kd dynein light chain [Drosophila melanogaster]" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 16847 1 23 no GB AAD00073 . "8kd dynein light chain [Drosophila melanogaster]" . . . . . 100.00 89 98.88 100.00 6.55e-59 . . . . 16847 1 24 no GB AAD00074 . "8kd dynein light chain [Drosophila melanogaster]" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 16847 1 25 no GB AAF45975 . "cut up, isoform A [Drosophila melanogaster]" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 16847 1 26 no REF NP_001135068 . "Dynein light chain 1, cytoplasmic [Salmo salar]" . . . . . 100.00 89 97.75 100.00 2.92e-58 . . . . 16847 1 27 no REF NP_001177683 . "dynein light chain A [Nasonia vitripennis]" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 16847 1 28 no REF NP_001188181 . "dynein light chain 1 cytoplasmic [Ictalurus punctatus]" . . . . . 100.00 89 97.75 100.00 2.92e-58 . . . . 16847 1 29 no REF NP_001245530 . "cut up, isoform E [Drosophila melanogaster]" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 16847 1 30 no REF NP_001245836 . "cytoplasmic dynein light chain 2, isoform C [Drosophila melanogaster]" . . . . . 100.00 89 98.88 100.00 6.55e-59 . . . . 16847 1 31 no SP O96860 . "RecName: Full=Dynein light chain 2, cytoplasmic; AltName: Full=8 kDa dynein light chain" . . . . . 100.00 89 98.88 100.00 6.55e-59 . . . . 16847 1 32 no SP Q24117 . "RecName: Full=Dynein light chain 1, cytoplasmic; AltName: Full=8 kDa dynein light chain; AltName: Full=Cut up protein" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 16847 1 33 no TPG DAA34424 . "TPA_exp: dynein light chain [Amblyomma variegatum]" . . . . . 95.51 85 97.65 98.82 2.71e-54 . . . . 16847 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16847 1 2 . SER . 16847 1 3 . ASP . 16847 1 4 . ARG . 16847 1 5 . LYS . 16847 1 6 . ALA . 16847 1 7 . VAL . 16847 1 8 . ILE . 16847 1 9 . LYS . 16847 1 10 . ASN . 16847 1 11 . ALA . 16847 1 12 . ASP . 16847 1 13 . MET . 16847 1 14 . SER . 16847 1 15 . GLU . 16847 1 16 . GLU . 16847 1 17 . MET . 16847 1 18 . GLN . 16847 1 19 . GLN . 16847 1 20 . ASP . 16847 1 21 . ALA . 16847 1 22 . VAL . 16847 1 23 . ASP . 16847 1 24 . CYS . 16847 1 25 . ALA . 16847 1 26 . THR . 16847 1 27 . GLN . 16847 1 28 . ALA . 16847 1 29 . LEU . 16847 1 30 . GLU . 16847 1 31 . LYS . 16847 1 32 . TYR . 16847 1 33 . ASN . 16847 1 34 . ILE . 16847 1 35 . GLU . 16847 1 36 . LYS . 16847 1 37 . ASP . 16847 1 38 . ILE . 16847 1 39 . ALA . 16847 1 40 . ALA . 16847 1 41 . TYR . 16847 1 42 . ILE . 16847 1 43 . LYS . 16847 1 44 . LYS . 16847 1 45 . GLU . 16847 1 46 . PHE . 16847 1 47 . ASP . 16847 1 48 . LYS . 16847 1 49 . LYS . 16847 1 50 . TYR . 16847 1 51 . ASN . 16847 1 52 . PRO . 16847 1 53 . THR . 16847 1 54 . TRP . 16847 1 55 . HIS . 16847 1 56 . CYS . 16847 1 57 . ILE . 16847 1 58 . VAL . 16847 1 59 . GLY . 16847 1 60 . ARG . 16847 1 61 . ASN . 16847 1 62 . PHE . 16847 1 63 . GLY . 16847 1 64 . SER . 16847 1 65 . TYR . 16847 1 66 . VAL . 16847 1 67 . THR . 16847 1 68 . HIS . 16847 1 69 . GLU . 16847 1 70 . THR . 16847 1 71 . ARG . 16847 1 72 . HIS . 16847 1 73 . PHE . 16847 1 74 . ILE . 16847 1 75 . TYR . 16847 1 76 . PHE . 16847 1 77 . TYR . 16847 1 78 . LEU . 16847 1 79 . GLY . 16847 1 80 . GLN . 16847 1 81 . VAL . 16847 1 82 . ALA . 16847 1 83 . ILE . 16847 1 84 . LEU . 16847 1 85 . LEU . 16847 1 86 . PHE . 16847 1 87 . LYS . 16847 1 88 . SER . 16847 1 89 . GLY . 16847 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16847 1 . SER 2 2 16847 1 . ASP 3 3 16847 1 . ARG 4 4 16847 1 . LYS 5 5 16847 1 . ALA 6 6 16847 1 . VAL 7 7 16847 1 . ILE 8 8 16847 1 . LYS 9 9 16847 1 . ASN 10 10 16847 1 . ALA 11 11 16847 1 . ASP 12 12 16847 1 . MET 13 13 16847 1 . SER 14 14 16847 1 . GLU 15 15 16847 1 . GLU 16 16 16847 1 . MET 17 17 16847 1 . GLN 18 18 16847 1 . GLN 19 19 16847 1 . ASP 20 20 16847 1 . ALA 21 21 16847 1 . VAL 22 22 16847 1 . ASP 23 23 16847 1 . CYS 24 24 16847 1 . ALA 25 25 16847 1 . THR 26 26 16847 1 . GLN 27 27 16847 1 . ALA 28 28 16847 1 . LEU 29 29 16847 1 . GLU 30 30 16847 1 . LYS 31 31 16847 1 . TYR 32 32 16847 1 . ASN 33 33 16847 1 . ILE 34 34 16847 1 . GLU 35 35 16847 1 . LYS 36 36 16847 1 . ASP 37 37 16847 1 . ILE 38 38 16847 1 . ALA 39 39 16847 1 . ALA 40 40 16847 1 . TYR 41 41 16847 1 . ILE 42 42 16847 1 . LYS 43 43 16847 1 . LYS 44 44 16847 1 . GLU 45 45 16847 1 . PHE 46 46 16847 1 . ASP 47 47 16847 1 . LYS 48 48 16847 1 . LYS 49 49 16847 1 . TYR 50 50 16847 1 . ASN 51 51 16847 1 . PRO 52 52 16847 1 . THR 53 53 16847 1 . TRP 54 54 16847 1 . HIS 55 55 16847 1 . CYS 56 56 16847 1 . ILE 57 57 16847 1 . VAL 58 58 16847 1 . GLY 59 59 16847 1 . ARG 60 60 16847 1 . ASN 61 61 16847 1 . PHE 62 62 16847 1 . GLY 63 63 16847 1 . SER 64 64 16847 1 . TYR 65 65 16847 1 . VAL 66 66 16847 1 . THR 67 67 16847 1 . HIS 68 68 16847 1 . GLU 69 69 16847 1 . THR 70 70 16847 1 . ARG 71 71 16847 1 . HIS 72 72 16847 1 . PHE 73 73 16847 1 . ILE 74 74 16847 1 . TYR 75 75 16847 1 . PHE 76 76 16847 1 . TYR 77 77 16847 1 . LEU 78 78 16847 1 . GLY 79 79 16847 1 . GLN 80 80 16847 1 . VAL 81 81 16847 1 . ALA 82 82 16847 1 . ILE 83 83 16847 1 . LEU 84 84 16847 1 . LEU 85 85 16847 1 . PHE 86 86 16847 1 . LYS 87 87 16847 1 . SER 88 88 16847 1 . GLY 89 89 16847 1 stop_ save_ save_nNOS _Entity.Sf_category entity _Entity.Sf_framecode nNOS _Entity.Entry_ID 16847 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name nNOS _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code MKDMGIQVDRDLDGKSH _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 17 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAA03895 . "nitric oxide synthase [Homo sapiens]" . . . . . 100.00 1434 100.00 100.00 1.93e-02 . . . . 16847 2 2 no DBJ BAG57679 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1206 100.00 100.00 1.50e-02 . . . . 16847 2 3 no GB AAA36376 . "nitric oxide synthase [Homo sapiens]" . . . . . 100.00 1433 100.00 100.00 1.98e-02 . . . . 16847 2 4 no GB AAA62405 . "neuronal nitric oxide synthase [Homo sapiens]" . . . . . 100.00 1434 100.00 100.00 1.93e-02 . . . . 16847 2 5 no GB AAB49040 . "nitric oxide synthase [Homo sapiens]" . . . . . 100.00 1433 100.00 100.00 1.91e-02 . . . . 16847 2 6 no GB AAB60654 . "neuronal nitric oxide synthase [Homo sapiens]" . . . . . 100.00 1554 100.00 100.00 1.55e-02 . . . . 16847 2 7 no GB AAI56400 . "Nitric oxide synthase 1 (neuronal), partial [synthetic construct]" . . . . . 100.00 1434 100.00 100.00 1.93e-02 . . . . 16847 2 8 no REF NP_000611 . "nitric oxide synthase, brain isoform 1 [Homo sapiens]" . . . . . 100.00 1434 100.00 100.00 1.93e-02 . . . . 16847 2 9 no REF NP_001191147 . "nitric oxide synthase, brain isoform 2 [Homo sapiens]" . . . . . 100.00 1468 100.00 100.00 1.91e-02 . . . . 16847 2 10 no REF XP_001083352 . "PREDICTED: nitric oxide synthase, brain [Macaca mulatta]" . . . . . 100.00 1401 100.00 100.00 2.05e-02 . . . . 16847 2 11 no REF XP_003832698 . "PREDICTED: nitric oxide synthase, brain [Pan paniscus]" . . . . . 100.00 1403 100.00 100.00 1.92e-02 . . . . 16847 2 12 no REF XP_003907271 . "PREDICTED: nitric oxide synthase, brain isoform X2 [Papio anubis]" . . . . . 100.00 1434 100.00 100.00 2.02e-02 . . . . 16847 2 13 no SP P29475 . "RecName: Full=Nitric oxide synthase, brain; AltName: Full=Constitutive NOS; AltName: Full=NC-NOS; AltName: Full=NOS type I; Alt" . . . . . 100.00 1434 100.00 100.00 1.93e-02 . . . . 16847 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16847 2 2 . LYS . 16847 2 3 . ASP . 16847 2 4 . MET . 16847 2 5 . GLY . 16847 2 6 . ILE . 16847 2 7 . GLN . 16847 2 8 . VAL . 16847 2 9 . ASP . 16847 2 10 . ARG . 16847 2 11 . ASP . 16847 2 12 . LEU . 16847 2 13 . ASP . 16847 2 14 . GLY . 16847 2 15 . LYS . 16847 2 16 . SER . 16847 2 17 . HIS . 16847 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16847 2 . LYS 2 2 16847 2 . ASP 3 3 16847 2 . MET 4 4 16847 2 . GLY 5 5 16847 2 . ILE 6 6 16847 2 . GLN 7 7 16847 2 . VAL 8 8 16847 2 . ASP 9 9 16847 2 . ARG 10 10 16847 2 . ASP 11 11 16847 2 . LEU 12 12 16847 2 . ASP 13 13 16847 2 . GLY 14 14 16847 2 . LYS 15 15 16847 2 . SER 16 16 16847 2 . HIS 17 17 16847 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16847 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $LC8 . 7227 organism . 'Drosophila melanogaster' 'Fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 16847 1 2 2 $nNOS . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16847 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 16847 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $LC8 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15Da . . . . . . 16847 1 2 2 $nNOS . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . 'The nNOS peptide was commercially synthesized from natural abundance isotopes. Sequence was confirmed by MSMS.' . . 16847 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16847 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 LC8 '[U-98% 15N]' . . 1 $LC8 . . 1 . . mM . . . . 16847 1 2 nNOS 'natural abundance' . . 2 $nNOS . . 2 . . mM . . . . 16847 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16847 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16847 1 5 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16847 1 6 'sodium citrate' 'natural abundance' . . . . . . 50 . . mM . . . . 16847 1 7 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16847 1 8 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 16847 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16847 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 0.001 M 16847 1 pH 5.5 0.1 pH 16847 1 pressure 1 . atm 16847 1 temperature 298 1 K 16847 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16847 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details 'Assignments performed using Burrow Owl.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16847 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 16847 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16847 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AM _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16847 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AM . 600 "Used a 'Magnex' model" . . 16847 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16847 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16847 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16847 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16847 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16847 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'H referencing was performed using DSS signal set to 0ppm. N and C referencing relative to H from DSS' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 16847 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 16847 1 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16847 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16847 1 2 '3D HNCA' . . . 16847 1 3 '3D CBCA(CO)NH' . . . 16847 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 10.51 0.05 . 1 . . . . 1 M H . 16847 1 2 . 1 1 1 1 MET N N 15 119.438 0.05 . 1 . . . . 1 M N . 16847 1 3 . 1 1 2 2 SER H H 1 10.124 0.05 . 1 . . . . 2 S H . 16847 1 4 . 1 1 2 2 SER N N 15 119.307 0.05 . 1 . . . . 2 S N . 16847 1 5 . 1 1 3 3 ASP H H 1 8.565 0.05 . 1 . . . . 3 D H . 16847 1 6 . 1 1 3 3 ASP N N 15 122.436 0.05 . 1 . . . . 3 D N . 16847 1 7 . 1 1 4 4 ARG H H 1 8.326 0.05 . 1 . . . . 4 R H . 16847 1 8 . 1 1 4 4 ARG N N 15 121.219 0.05 . 1 . . . . 4 R N . 16847 1 9 . 1 1 5 5 LYS H H 1 8.041 0.05 . 1 . . . . 5 K H . 16847 1 10 . 1 1 5 5 LYS N N 15 121.31 0.05 . 1 . . . . 5 K N . 16847 1 11 . 1 1 6 6 ALA H H 1 7.693 0.05 . 1 . . . . 6 A H . 16847 1 12 . 1 1 6 6 ALA N N 15 110.408 0.05 . 1 . . . . 6 A N . 16847 1 13 . 1 1 7 7 VAL H H 1 9.027 0.05 . 1 . . . . 7 V H . 16847 1 14 . 1 1 7 7 VAL N N 15 123.977 0.05 . 1 . . . . 7 V N . 16847 1 15 . 1 1 8 8 ILE H H 1 9.104 0.05 . 1 . . . . 8 I H . 16847 1 16 . 1 1 8 8 ILE N N 15 128.689 0.05 . 1 . . . . 8 I N . 16847 1 17 . 1 1 9 9 LYS H H 1 7.9 0.05 . 1 . . . . 9 K H . 16847 1 18 . 1 1 9 9 LYS N N 15 128.723 0.05 . 1 . . . . 9 K N . 16847 1 19 . 1 1 10 10 ASN H H 1 7.98 0.05 . 1 . . . . 10 N H . 16847 1 20 . 1 1 10 10 ASN N N 15 115.847 0.05 . 1 . . . . 10 N N . 16847 1 21 . 1 1 11 11 ALA H H 1 8.919 0.05 . 1 . . . . 11 A H . 16847 1 22 . 1 1 11 11 ALA N N 15 126.244 0.05 . 1 . . . . 11 A N . 16847 1 23 . 1 1 12 12 ASP H H 1 8.818 0.05 . 1 . . . . 12 D H . 16847 1 24 . 1 1 12 12 ASP N N 15 125.875 0.05 . 1 . . . . 12 D N . 16847 1 25 . 1 1 13 13 MET H H 1 7.848 0.05 . 1 . . . . 13 M H . 16847 1 26 . 1 1 13 13 MET N N 15 119.315 0.05 . 1 . . . . 13 M N . 16847 1 27 . 1 1 14 14 SER H H 1 9.074 0.05 . 1 . . . . 14 S H . 16847 1 28 . 1 1 14 14 SER N N 15 121.277 0.05 . 1 . . . . 14 S N . 16847 1 29 . 1 1 15 15 GLU H H 1 9.13 0.05 . 1 . . . . 15 E H . 16847 1 30 . 1 1 15 15 GLU N N 15 122.908 0.05 . 1 . . . . 15 E N . 16847 1 31 . 1 1 16 16 GLU H H 1 8.759 0.05 . 1 . . . . 16 E H . 16847 1 32 . 1 1 16 16 GLU N N 15 118.099 0.05 . 1 . . . . 16 E N . 16847 1 33 . 1 1 17 17 MET H H 1 7.505 0.05 . 1 . . . . 17 M H . 16847 1 34 . 1 1 17 17 MET N N 15 120.541 0.05 . 1 . . . . 17 M N . 16847 1 35 . 1 1 18 18 GLN H H 1 8.361 0.05 . 1 . . . . 18 Q H . 16847 1 36 . 1 1 18 18 GLN N N 15 119.336 0.05 . 1 . . . . 18 Q N . 16847 1 37 . 1 1 19 19 GLN H H 1 7.904 0.05 . 1 . . . . 19 Q H . 16847 1 38 . 1 1 19 19 GLN N N 15 117.084 0.05 . 1 . . . . 19 Q N . 16847 1 39 . 1 1 20 20 ASP H H 1 8.618 0.05 . 1 . . . . 20 D H . 16847 1 40 . 1 1 20 20 ASP N N 15 119.225 0.05 . 1 . . . . 20 D N . 16847 1 41 . 1 1 21 21 ALA H H 1 8.654 0.05 . 1 . . . . 21 A H . 16847 1 42 . 1 1 21 21 ALA N N 15 124.138 0.05 . 1 . . . . 21 A N . 16847 1 43 . 1 1 22 22 VAL H H 1 7.768 0.05 . 1 . . . . 22 V H . 16847 1 44 . 1 1 22 22 VAL N N 15 117.639 0.05 . 1 . . . . 22 V N . 16847 1 45 . 1 1 23 23 ASP H H 1 8.842 0.05 . 1 . . . . 23 D H . 16847 1 46 . 1 1 23 23 ASP N N 15 123.142 0.05 . 1 . . . . 23 D N . 16847 1 47 . 1 1 24 24 CYS H H 1 9.011 0.05 . 1 . . . . 24 C H . 16847 1 48 . 1 1 24 24 CYS N N 15 120.555 0.05 . 1 . . . . 24 C N . 16847 1 49 . 1 1 25 25 ALA H H 1 8.491 0.05 . 1 . . . . 25 A H . 16847 1 50 . 1 1 25 25 ALA N N 15 121.189 0.05 . 1 . . . . 25 A N . 16847 1 51 . 1 1 26 26 THR H H 1 8.4 0.05 . 1 . . . . 26 T H . 16847 1 52 . 1 1 26 26 THR N N 15 115.226 0.05 . 1 . . . . 26 T N . 16847 1 53 . 1 1 27 27 GLN H H 1 7.738 0.05 . 1 . . . . 27 Q H . 16847 1 54 . 1 1 27 27 GLN N N 15 119.067 0.05 . 1 . . . . 27 Q N . 16847 1 55 . 1 1 28 28 ALA H H 1 8.396 0.05 . 1 . . . . 28 A H . 16847 1 56 . 1 1 28 28 ALA N N 15 122.771 0.05 . 1 . . . . 28 A N . 16847 1 57 . 1 1 29 29 LEU H H 1 8.241 0.05 . 1 . . . . 29 L H . 16847 1 58 . 1 1 29 29 LEU N N 15 116.909 0.05 . 1 . . . . 29 L N . 16847 1 59 . 1 1 30 30 GLU H H 1 7.277 0.05 . 1 . . . . 30 E H . 16847 1 60 . 1 1 30 30 GLU N N 15 115.506 0.05 . 1 . . . . 30 E N . 16847 1 61 . 1 1 31 31 LYS H H 1 7.166 0.05 . 1 . . . . 31 K H . 16847 1 62 . 1 1 31 31 LYS N N 15 117.778 0.05 . 1 . . . . 31 K N . 16847 1 63 . 1 1 32 32 TYR H H 1 8.146 0.05 . 1 . . . . 32 Y H . 16847 1 64 . 1 1 32 32 TYR N N 15 117.001 0.05 . 1 . . . . 32 Y N . 16847 1 65 . 1 1 33 33 ASN H H 1 8.409 0.05 . 1 . . . . 33 N H . 16847 1 66 . 1 1 33 33 ASN N N 15 114.349 0.05 . 1 . . . . 33 N N . 16847 1 67 . 1 1 34 34 ILE H H 1 7.632 0.05 . 1 . . . . 34 I H . 16847 1 68 . 1 1 34 34 ILE N N 15 114.538 0.05 . 1 . . . . 34 I N . 16847 1 69 . 1 1 35 35 GLU H H 1 9.865 0.05 . 1 . . . . 35 E H . 16847 1 70 . 1 1 35 35 GLU N N 15 123.004 0.05 . 1 . . . . 35 E N . 16847 1 71 . 1 1 36 36 LYS H H 1 8.883 0.05 . 1 . . . . 36 K H . 16847 1 72 . 1 1 36 36 LYS N N 15 117.577 0.05 . 1 . . . . 36 K N . 16847 1 73 . 1 1 37 37 ASP H H 1 6.898 0.05 . 1 . . . . 37 D H . 16847 1 74 . 1 1 37 37 ASP N N 15 119.113 0.05 . 1 . . . . 37 D N . 16847 1 75 . 1 1 38 38 ILE H H 1 7.538 0.05 . 1 . . . . 38 I H . 16847 1 76 . 1 1 38 38 ILE N N 15 122.746 0.05 . 1 . . . . 38 I N . 16847 1 77 . 1 1 39 39 ALA H H 1 8.189 0.05 . 1 . . . . 39 A H . 16847 1 78 . 1 1 39 39 ALA N N 15 119.513 0.05 . 1 . . . . 39 A N . 16847 1 79 . 1 1 40 40 ALA H H 1 7.947 0.05 . 1 . . . . 40 A H . 16847 1 80 . 1 1 40 40 ALA N N 15 119.415 0.05 . 1 . . . . 40 A N . 16847 1 81 . 1 1 41 41 TYR H H 1 7.43 0.05 . 1 . . . . 41 Y H . 16847 1 82 . 1 1 41 41 TYR N N 15 117.583 0.05 . 1 . . . . 41 Y N . 16847 1 83 . 1 1 42 42 ILE H H 1 7.668 0.05 . 1 . . . . 42 I H . 16847 1 84 . 1 1 42 42 ILE N N 15 117.471 0.05 . 1 . . . . 42 I N . 16847 1 85 . 1 1 43 43 LYS H H 1 8.237 0.05 . 1 . . . . 43 K H . 16847 1 86 . 1 1 43 43 LYS N N 15 118.921 0.05 . 1 . . . . 43 K N . 16847 1 87 . 1 1 44 44 LYS H H 1 8.402 0.05 . 1 . . . . 44 K H . 16847 1 88 . 1 1 44 44 LYS N N 15 117.672 0.05 . 1 . . . . 44 K N . 16847 1 89 . 1 1 45 45 GLU H H 1 7.719 0.05 . 1 . . . . 45 E H . 16847 1 90 . 1 1 45 45 GLU N N 15 119.849 0.05 . 1 . . . . 45 E N . 16847 1 91 . 1 1 46 46 PHE H H 1 8.396 0.05 . 1 . . . . 46 F H . 16847 1 92 . 1 1 46 46 PHE N N 15 122.777 0.05 . 1 . . . . 46 F N . 16847 1 93 . 1 1 47 47 ASP H H 1 8.44 0.05 . 1 . . . . 47 D H . 16847 1 94 . 1 1 47 47 ASP N N 15 119.693 0.05 . 1 . . . . 47 D N . 16847 1 95 . 1 1 48 48 LYS H H 1 7.217 0.05 . 1 . . . . 48 K H . 16847 1 96 . 1 1 48 48 LYS N N 15 117.488 0.05 . 1 . . . . 48 K N . 16847 1 97 . 1 1 49 49 LYS H H 1 8.006 0.05 . 1 . . . . 49 K H . 16847 1 98 . 1 1 49 49 LYS N N 15 117.432 0.05 . 1 . . . . 49 K N . 16847 1 99 . 1 1 50 50 TYR H H 1 8.364 0.05 . 1 . . . . 50 Y H . 16847 1 100 . 1 1 50 50 TYR N N 15 115.207 0.05 . 1 . . . . 50 Y N . 16847 1 101 . 1 1 51 51 ASN H H 1 6.945 0.05 . 1 . . . . 51 N H . 16847 1 102 . 1 1 51 51 ASN N N 15 112.969 0.05 . 1 . . . . 51 N N . 16847 1 103 . 1 1 52 52 PRO N N 15 119.262 0.05 . 1 . . . . 52 P N . 16847 1 104 . 1 1 53 53 THR H H 1 8.083 0.05 . 1 . . . . 53 T H . 16847 1 105 . 1 1 53 53 THR N N 15 121.601 0.05 . 1 . . . . 53 T N . 16847 1 106 . 1 1 54 54 TRP H H 1 9.434 0.05 . 1 . . . . 54 W H . 16847 1 107 . 1 1 54 54 TRP N N 15 127.232 0.05 . 1 . . . . 54 W N . 16847 1 108 . 1 1 55 55 HIS H H 1 8.432 0.05 . 1 . . . . 55 H H . 16847 1 109 . 1 1 55 55 HIS N N 15 117.758 0.05 . 1 . . . . 55 H N . 16847 1 110 . 1 1 56 56 CYS H H 1 8.81 0.05 . 1 . . . . 56 C H . 16847 1 111 . 1 1 56 56 CYS N N 15 119.585 0.05 . 1 . . . . 56 C N . 16847 1 112 . 1 1 57 57 ILE H H 1 9.384 0.05 . 1 . . . . 57 I H . 16847 1 113 . 1 1 57 57 ILE N N 15 131.756 0.05 . 1 . . . . 57 I N . 16847 1 114 . 1 1 58 58 VAL H H 1 8.544 0.05 . 1 . . . . 58 V H . 16847 1 115 . 1 1 58 58 VAL N N 15 123.732 0.05 . 1 . . . . 58 V N . 16847 1 116 . 1 1 59 59 GLY H H 1 9.803 0.05 . 1 . . . . 59 G H . 16847 1 117 . 1 1 59 59 GLY N N 15 111.757 0.05 . 1 . . . . 59 G N . 16847 1 118 . 1 1 60 60 ARG H H 1 9.198 0.05 . 1 . . . . 60 R H . 16847 1 119 . 1 1 60 60 ARG N N 15 120.469 0.05 . 1 . . . . 60 R N . 16847 1 120 . 1 1 61 61 ASN H H 1 8.962 0.05 . 1 . . . . 61 N H . 16847 1 121 . 1 1 61 61 ASN N N 15 116.945 0.05 . 1 . . . . 61 N N . 16847 1 122 . 1 1 62 62 PHE H H 1 8.321 0.05 . 1 . . . . 62 F H . 16847 1 123 . 1 1 62 62 PHE N N 15 120.293 0.05 . 1 . . . . 62 F N . 16847 1 124 . 1 1 63 63 GLY H H 1 9.509 0.05 . 1 . . . . 63 G H . 16847 1 125 . 1 1 63 63 GLY N N 15 106.641 0.05 . 1 . . . . 63 G N . 16847 1 126 . 1 1 64 64 SER H H 1 8.717 0.05 . 1 . . . . 64 S H . 16847 1 127 . 1 1 64 64 SER N N 15 113.484 0.05 . 1 . . . . 64 S N . 16847 1 128 . 1 1 65 65 TYR H H 1 9.074 0.05 . 1 . . . . 65 Y H . 16847 1 129 . 1 1 65 65 TYR N N 15 117.035 0.05 . 1 . . . . 65 Y N . 16847 1 130 . 1 1 66 66 VAL H H 1 7.871 0.05 . 1 . . . . 66 V H . 16847 1 131 . 1 1 66 66 VAL N N 15 119.758 0.05 . 1 . . . . 66 V N . 16847 1 132 . 1 1 67 67 THR H H 1 9.391 0.05 . 1 . . . . 67 T H . 16847 1 133 . 1 1 67 67 THR N N 15 126.567 0.05 . 1 . . . . 67 T N . 16847 1 134 . 1 1 68 68 HIS H H 1 8.319 0.05 . 1 . . . . 68 H H . 16847 1 135 . 1 1 68 68 HIS N N 15 121.82 0.05 . 1 . . . . 68 H N . 16847 1 136 . 1 1 69 69 GLU H H 1 7.721 0.05 . 1 . . . . 69 E H . 16847 1 137 . 1 1 69 69 GLU N N 15 121.608 0.05 . 1 . . . . 69 E N . 16847 1 138 . 1 1 70 70 THR H H 1 7.94 0.05 . 1 . . . . 70 T H . 16847 1 139 . 1 1 70 70 THR N N 15 115.184 0.05 . 1 . . . . 70 T N . 16847 1 140 . 1 1 71 71 ARG H H 1 9.148 0.05 . 1 . . . . 71 R H . 16847 1 141 . 1 1 71 71 ARG N N 15 128.952 0.05 . 1 . . . . 71 R N . 16847 1 142 . 1 1 72 72 HIS H H 1 8.41 0.05 . 1 . . . . 72 H H . 16847 1 143 . 1 1 72 72 HIS N N 15 122.302 0.05 . 1 . . . . 72 H N . 16847 1 144 . 1 1 73 73 PHE H H 1 8.69 0.05 . 1 . . . . 73 F H . 16847 1 145 . 1 1 73 73 PHE N N 15 120.28 0.05 . 1 . . . . 73 F N . 16847 1 146 . 1 1 74 74 ILE H H 1 8.75 0.05 . 1 . . . . 74 I H . 16847 1 147 . 1 1 74 74 ILE N N 15 128.737 0.05 . 1 . . . . 74 I N . 16847 1 148 . 1 1 75 75 TYR H H 1 8.381 0.05 . 1 . . . . 75 Y H . 16847 1 149 . 1 1 75 75 TYR N N 15 127.146 0.05 . 1 . . . . 75 Y N . 16847 1 150 . 1 1 76 76 PHE H H 1 9.361 0.05 . 1 . . . . 76 F H . 16847 1 151 . 1 1 76 76 PHE N N 15 125.133 0.05 . 1 . . . . 76 F N . 16847 1 152 . 1 1 77 77 TYR H H 1 9.16 0.05 . 1 . . . . 77 Y H . 16847 1 153 . 1 1 77 77 TYR N N 15 119.103 0.05 . 1 . . . . 77 Y N . 16847 1 154 . 1 1 78 78 LEU H H 1 8.735 0.05 . 1 . . . . 78 L H . 16847 1 155 . 1 1 78 78 LEU N N 15 122.34 0.05 . 1 . . . . 78 L N . 16847 1 156 . 1 1 79 79 GLY H H 1 9.141 0.05 . 1 . . . . 79 G H . 16847 1 157 . 1 1 79 79 GLY N N 15 114.129 0.05 . 1 . . . . 79 G N . 16847 1 158 . 1 1 80 80 GLN H H 1 8.841 0.05 . 1 . . . . 80 Q H . 16847 1 159 . 1 1 80 80 GLN N N 15 126.116 0.05 . 1 . . . . 80 Q N . 16847 1 160 . 1 1 81 81 VAL H H 1 7.752 0.05 . 1 . . . . 81 V H . 16847 1 161 . 1 1 81 81 VAL N N 15 118.152 0.05 . 1 . . . . 81 V N . 16847 1 162 . 1 1 82 82 ALA H H 1 8.541 0.05 . 1 . . . . 82 A H . 16847 1 163 . 1 1 82 82 ALA N N 15 126.229 0.05 . 1 . . . . 82 A N . 16847 1 164 . 1 1 83 83 ILE H H 1 8.732 0.05 . 1 . . . . 83 I H . 16847 1 165 . 1 1 83 83 ILE N N 15 121.188 0.05 . 1 . . . . 83 I N . 16847 1 166 . 1 1 84 84 LEU H H 1 9.382 0.05 . 1 . . . . 84 L H . 16847 1 167 . 1 1 84 84 LEU N N 15 128.467 0.05 . 1 . . . . 84 L N . 16847 1 168 . 1 1 85 85 LEU H H 1 8.844 0.05 . 1 . . . . 85 L H . 16847 1 169 . 1 1 85 85 LEU N N 15 129.949 0.05 . 1 . . . . 85 L N . 16847 1 170 . 1 1 86 86 PHE H H 1 8.422 0.05 . 1 . . . . 86 F H . 16847 1 171 . 1 1 86 86 PHE N N 15 120.407 0.05 . 1 . . . . 86 F N . 16847 1 172 . 1 1 87 87 LYS H H 1 7.692 0.05 . 1 . . . . 87 K H . 16847 1 173 . 1 1 87 87 LYS N N 15 121.019 0.05 . 1 . . . . 87 K N . 16847 1 174 . 1 1 88 88 SER H H 1 8.676 0.05 . 1 . . . . 88 S H . 16847 1 175 . 1 1 88 88 SER N N 15 122.808 0.05 . 1 . . . . 88 S N . 16847 1 176 . 1 1 89 89 GLY H H 1 8.533 0.05 . 1 . . . . 89 G H . 16847 1 177 . 1 1 89 89 GLY N N 15 122.817 0.05 . 1 . . . . 89 G N . 16847 1 stop_ save_