data_4911 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4911 _Entry.Title ; Structural Basis of Diverse Sequence-dependent Target Recognition by the 8kDa Dynein light chain ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2000-12-06 _Entry.Accession_date 2000-12-06 _Entry.Last_release_date 2001-08-08 _Entry.Original_release_date 2001-08-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _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 Jing-Song Fan . . . 4911 2 Qiang Zhang . . . 4911 3 Hidehito Tochio . . . 4911 4 Ming Li . . . 4911 5 Mingjie Zhang . . . 4911 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4911 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 632 4911 '13C chemical shifts' 259 4911 '15N chemical shifts' 97 4911 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 . . 2001-08-08 2000-12-06 original author . 4911 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4912 'free form' 4911 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4911 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21103709 _Citation.DOI . _Citation.PubMed_ID 11178896 _Citation.Full_citation . _Citation.Title ; Structural Basis of Diverse Sequence-dependent Target Recognition by the 8kDa Dynein light chain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume 306 _Citation.Journal_issue 1 _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 97 _Citation.Page_last 108 _Citation.Year 2001 _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 Jing-Song Fan . . . 4911 1 2 Qiang Zhang . . . 4911 1 3 Hidehito Tochio . . . 4911 1 4 Ming Li . . . 4911 1 5 Mingjie Zhang . . . 4911 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID dynein 4911 1 'light chain' 4911 1 DLC8 4911 1 nNOS 4911 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_LC _Assembly.Sf_category assembly _Assembly.Sf_framecode system_LC _Assembly.Entry_ID 4911 _Assembly.ID 1 _Assembly.Name 'DYNEIN light chain 8 (dlc8) and nNOS (fragment peptide) complex' _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 4911 1 stop_ 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 'DYNEIN light chain 8, DLC8, subunit a' 1 $DLC8 . . . native . . 1 . . 4911 1 2 'DYNEIN light chain 8, DLC8, subunit b' 1 $DLC8 . . . native . . 1 . . 4911 1 3 'nNOS fragment peptide, subunit a' 2 $nNOS . . . native . . 2 . . 4911 1 4 'nNOS fragment peptide, subunit b' 2 $nNOS . . . native . . 2 . . 4911 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1F96 . 'DLC8/nNOS peptide complex' . . . . 4911 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'DYNEIN light chain 8 (dlc8) and nNOS (fragment peptide) complex' system 4911 1 LC8 abbreviation 4911 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'multifunctional regulatory protein' 4911 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DLC8 _Entity.Sf_category entity _Entity.Sf_framecode DLC8 _Entity.Entry_ID 4911 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'DYNEIN light chain 8' _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 ; MCDRKAVIKNADMSEEMQQD SVECATQALEKYNIEKDIAA HIKKEFDKKYNPTWHCIVGR NFGSYVTHETKHFIYFYLGQ VAILLFKSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10300 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; DLC8 is a dimer in physiological condition. But it migrates 8KDa on SDS-PAGE. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2008-08-19 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 . . SWISS-PROT P63169 . 'Dynein light chain 1, cytoplasmic (Dynein light chain LC8-type 1) (8 kDa dynein light chain) (DLC8) (Protein inhibitor of neuronal nitric oxide synthase) (PIN)' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . SWISS-PROT P63168 . 'Dynein light chain 1, cytoplasmic (Dynein light chain LC8-type 1) (8 kDa dynein light chain) (DLC8) (Protein inhibitor of neuronal nitric oxide synthase) (PIN) (mPIN)' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . SWISS-PROT P63167 . 'Dynein light chain 1, cytoplasmic (Dynein light chain LC8-type 1) (8 kDa dynein light chain) (DLC8) (Protein inhibitor of neuronal nitric oxide synthase) (PIN)' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . SWISS-PROT P61285 . 'Dynein light chain 1, cytoplasmic (Dynein light chain LC8-type 1)' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . SWISS-PROT P61273 . 'Dynein light chain 1, cytoplasmic (Dynein light chain LC8-type 1)' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . REF NP_003737 . 'dynein light chain 1 [Homo sapiens]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . REF NP_001075487 . 'protein inhibitor of neuronal nitric oxide synthase [Oryctolagus cuniculus]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . REF NP_001032584 . 'dynein light chain 1 [Homo sapiens]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . REF NP_001032583 . 'dynein light chain 1 [Homo sapiens]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . REF NP_001003901 . 'dynein, light chain, LC8-type 1 [Bos taurus]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . GenBank AAD01643 . 'protein inhibitor of nitric oxide synthase [Mus musculus]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . GenBank AAC32531 . 'protein inhibitor of neuronal nitric oxide synthase [Oryctolagus cuniculus]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . GenBank AAC32530 . 'protein inhibitor of neuronal nitric oxide synthase [Oryctolagus cuniculus]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . GenBank AAB38257 . 'protein inhibitor of neuronal nitric oxide synthase [Rattus norvegicus]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . GenBank AAB04149 . 'cytoplasmic dynein light chain 1' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . EMBL CAG46925 . 'DNCL1 [Homo sapiens]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . EMBL CAG28600 . 'DNCL1 [Homo sapiens]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . DBJ BAB28973 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 89 98.88 98.88 4.45e-46 . . . . 4911 1 . . DBJ BAB28970 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . DBJ BAB27117 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . DBJ BAB27063 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . DBJ BAB22160 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . PDB 1F96 . 'Solution Structure Of Dynein Light Chain 8 (Dlc8) And Nnos Peptide Complex' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . PDB 1F95 . 'Solution Structure Of Dynein Light Chain 8 (Dlc8) And Bim Peptide Complex' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . PDB 1F3C . 'Refined Solution Structure Of 8kda Dynein Light Chain (Dlc8)' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . PDB 1CMI . 'Structure Of The Human PinLC8 DIMER WITH A BOUND PEPTIDE' . . . . . 95.51 85 100.00 100.00 1.03e-43 . . . . 4911 1 . . BMRB 4931 . 'DYNEIN light chain 8' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . BMRB 4912 . 'dynein light chain 8' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1 . . BMRB 4305 . PIN . . . . . 100.00 92 100.00 100.00 1.22e-46 . . . . 4911 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'DYNEIN light chain 8' common 4911 1 PIN variant 4911 1 DLC8 abbreviation 4911 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 . 4911 1 2 . CYS . 4911 1 3 . ASP . 4911 1 4 . ARG . 4911 1 5 . LYS . 4911 1 6 . ALA . 4911 1 7 . VAL . 4911 1 8 . ILE . 4911 1 9 . LYS . 4911 1 10 . ASN . 4911 1 11 . ALA . 4911 1 12 . ASP . 4911 1 13 . MET . 4911 1 14 . SER . 4911 1 15 . GLU . 4911 1 16 . GLU . 4911 1 17 . MET . 4911 1 18 . GLN . 4911 1 19 . GLN . 4911 1 20 . ASP . 4911 1 21 . SER . 4911 1 22 . VAL . 4911 1 23 . GLU . 4911 1 24 . CYS . 4911 1 25 . ALA . 4911 1 26 . THR . 4911 1 27 . GLN . 4911 1 28 . ALA . 4911 1 29 . LEU . 4911 1 30 . GLU . 4911 1 31 . LYS . 4911 1 32 . TYR . 4911 1 33 . ASN . 4911 1 34 . ILE . 4911 1 35 . GLU . 4911 1 36 . LYS . 4911 1 37 . ASP . 4911 1 38 . ILE . 4911 1 39 . ALA . 4911 1 40 . ALA . 4911 1 41 . HIS . 4911 1 42 . ILE . 4911 1 43 . LYS . 4911 1 44 . LYS . 4911 1 45 . GLU . 4911 1 46 . PHE . 4911 1 47 . ASP . 4911 1 48 . LYS . 4911 1 49 . LYS . 4911 1 50 . TYR . 4911 1 51 . ASN . 4911 1 52 . PRO . 4911 1 53 . THR . 4911 1 54 . TRP . 4911 1 55 . HIS . 4911 1 56 . CYS . 4911 1 57 . ILE . 4911 1 58 . VAL . 4911 1 59 . GLY . 4911 1 60 . ARG . 4911 1 61 . ASN . 4911 1 62 . PHE . 4911 1 63 . GLY . 4911 1 64 . SER . 4911 1 65 . TYR . 4911 1 66 . VAL . 4911 1 67 . THR . 4911 1 68 . HIS . 4911 1 69 . GLU . 4911 1 70 . THR . 4911 1 71 . LYS . 4911 1 72 . HIS . 4911 1 73 . PHE . 4911 1 74 . ILE . 4911 1 75 . TYR . 4911 1 76 . PHE . 4911 1 77 . TYR . 4911 1 78 . LEU . 4911 1 79 . GLY . 4911 1 80 . GLN . 4911 1 81 . VAL . 4911 1 82 . ALA . 4911 1 83 . ILE . 4911 1 84 . LEU . 4911 1 85 . LEU . 4911 1 86 . PHE . 4911 1 87 . LYS . 4911 1 88 . SER . 4911 1 89 . GLY . 4911 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 4911 1 . CYS 2 2 4911 1 . ASP 3 3 4911 1 . ARG 4 4 4911 1 . LYS 5 5 4911 1 . ALA 6 6 4911 1 . VAL 7 7 4911 1 . ILE 8 8 4911 1 . LYS 9 9 4911 1 . ASN 10 10 4911 1 . ALA 11 11 4911 1 . ASP 12 12 4911 1 . MET 13 13 4911 1 . SER 14 14 4911 1 . GLU 15 15 4911 1 . GLU 16 16 4911 1 . MET 17 17 4911 1 . GLN 18 18 4911 1 . GLN 19 19 4911 1 . ASP 20 20 4911 1 . SER 21 21 4911 1 . VAL 22 22 4911 1 . GLU 23 23 4911 1 . CYS 24 24 4911 1 . ALA 25 25 4911 1 . THR 26 26 4911 1 . GLN 27 27 4911 1 . ALA 28 28 4911 1 . LEU 29 29 4911 1 . GLU 30 30 4911 1 . LYS 31 31 4911 1 . TYR 32 32 4911 1 . ASN 33 33 4911 1 . ILE 34 34 4911 1 . GLU 35 35 4911 1 . LYS 36 36 4911 1 . ASP 37 37 4911 1 . ILE 38 38 4911 1 . ALA 39 39 4911 1 . ALA 40 40 4911 1 . HIS 41 41 4911 1 . ILE 42 42 4911 1 . LYS 43 43 4911 1 . LYS 44 44 4911 1 . GLU 45 45 4911 1 . PHE 46 46 4911 1 . ASP 47 47 4911 1 . LYS 48 48 4911 1 . LYS 49 49 4911 1 . TYR 50 50 4911 1 . ASN 51 51 4911 1 . PRO 52 52 4911 1 . THR 53 53 4911 1 . TRP 54 54 4911 1 . HIS 55 55 4911 1 . CYS 56 56 4911 1 . ILE 57 57 4911 1 . VAL 58 58 4911 1 . GLY 59 59 4911 1 . ARG 60 60 4911 1 . ASN 61 61 4911 1 . PHE 62 62 4911 1 . GLY 63 63 4911 1 . SER 64 64 4911 1 . TYR 65 65 4911 1 . VAL 66 66 4911 1 . THR 67 67 4911 1 . HIS 68 68 4911 1 . GLU 69 69 4911 1 . THR 70 70 4911 1 . LYS 71 71 4911 1 . HIS 72 72 4911 1 . PHE 73 73 4911 1 . ILE 74 74 4911 1 . TYR 75 75 4911 1 . PHE 76 76 4911 1 . TYR 77 77 4911 1 . LEU 78 78 4911 1 . GLY 79 79 4911 1 . GLN 80 80 4911 1 . VAL 81 81 4911 1 . ALA 82 82 4911 1 . ILE 83 83 4911 1 . LEU 84 84 4911 1 . LEU 85 85 4911 1 . PHE 86 86 4911 1 . LYS 87 87 4911 1 . SER 88 88 4911 1 . GLY 89 89 4911 1 stop_ save_ save_nNOS _Entity.Sf_category entity _Entity.Sf_framecode nNOS _Entity.Entry_ID 4911 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'nNOS peptide' _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 MKDTKIQVDRDLDGKSHK _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 18 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2005-12-09 loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'nNOS peptide' common 4911 2 nNOS abbreviation 4911 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 . 4911 2 2 . LYS . 4911 2 3 . ASP . 4911 2 4 . THR . 4911 2 5 . LYS . 4911 2 6 . ILE . 4911 2 7 . GLN . 4911 2 8 . VAL . 4911 2 9 . ASP . 4911 2 10 . ARG . 4911 2 11 . ASP . 4911 2 12 . LEU . 4911 2 13 . ASP . 4911 2 14 . GLY . 4911 2 15 . LYS . 4911 2 16 . SER . 4911 2 17 . HIS . 4911 2 18 . LYS . 4911 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 4911 2 . LYS 2 2 4911 2 . ASP 3 3 4911 2 . THR 4 4 4911 2 . LYS 5 5 4911 2 . ILE 6 6 4911 2 . GLN 7 7 4911 2 . VAL 8 8 4911 2 . ASP 9 9 4911 2 . ARG 10 10 4911 2 . ASP 11 11 4911 2 . LEU 12 12 4911 2 . ASP 13 13 4911 2 . GLY 14 14 4911 2 . LYS 15 15 4911 2 . SER 16 16 4911 2 . HIS 17 17 4911 2 . LYS 18 18 4911 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 4911 _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 $DLC8 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 4911 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 4911 _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 $DLC8 . 'recombinant technology' 'E. coli' Bacteria . . . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . 4911 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4911 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'DYNEIN light chain 8' '[U-13C; U-15N]' . . 1 $DLC8 . . 1.5 . . mM . . . . 4911 1 2 'nNOS peptide' '[U-13C; U-15N]' . . 2 $nNOS . . 1.5 . . mM . . . . 4911 1 3 'phosphate buffer' . . . . . . . 100 . . mM . . . . 4911 1 4 DTT . . . . . . . 10 . . mM . . . . 4911 1 5 D2O . . . . . . . 10 . . % . . . . 4911 1 6 H2O . . . . . . . 90 . . % . . . . 4911 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4911 _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 pH 7.0 0.2 n/a 4911 1 temperature 303 0.1 K 4911 1 'ionic strength' 100 0.02 mM 4911 1 pressure 1 . atm 4911 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 4911 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1b _Software.Details varian loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data collection' 4911 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4911 _Software.ID 2 _Software.Name NMRPipe _Software.Version 1.7 _Software.Details 'F. Delaglio' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 4911 2 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 4911 _Software.ID 3 _Software.Name X-PLOR _Software.Version 3.8 _Software.Details 'Brunger, A' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 4911 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 4911 _Software.ID 4 _Software.Name CNS _Software.Version 1.0 _Software.Details 'Brunger, A' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID spectra 4911 4 refinement 4911 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4911 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4911 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4911 _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 NMR_spectrometer_1 Varian INOVA . 500 . . . 4911 1 2 NMR_spectrometer_2 Varian INOVA . 750 . . . 4911 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 4911 _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 'HNCACB and CBCACONNH for backbone assignment' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4911 1 2 'HCCH-TOCSY for side-chain assignment' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4911 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4911 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name NMR_spec_expt__0_1 _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4911 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name NMR_spec_expt__0_2 _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__1_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__1_1 _NMR_spec_expt.Entry_ID 4911 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name NMR_spec_expt__1_1 _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__1_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__1_2 _NMR_spec_expt.Entry_ID 4911 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name NMR_spec_expt__1_2 _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__2_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__2_1 _NMR_spec_expt.Entry_ID 4911 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name NMR_spec_expt__2_1 _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__2_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__2_2 _NMR_spec_expt.Entry_ID 4911 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name NMR_spec_expt__2_2 _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__3_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__3_1 _NMR_spec_expt.Entry_ID 4911 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name NMR_spec_expt__3_1 _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__3_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__3_2 _NMR_spec_expt.Entry_ID 4911 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name NMR_spec_expt__3_2 _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4911 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 4911 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4911 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4911 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4911 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4911 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 N N 15 122.2400 0.05 . 1 . . . . . . . . 4911 1 2 . 1 1 1 1 MET H H 1 8.4700 0.02 . 1 . . . . . . . . 4911 1 3 . 1 1 1 1 MET CA C 13 56.2800 0.05 . 1 . . . . . . . . 4911 1 4 . 1 1 1 1 MET HA H 1 4.4200 0.02 . 1 . . . . . . . . 4911 1 5 . 1 1 1 1 MET CB C 13 33.0600 0.05 . 1 . . . . . . . . 4911 1 6 . 1 1 1 1 MET HB2 H 1 1.9800 0.02 . 1 . . . . . . . . 4911 1 7 . 1 1 1 1 MET HB3 H 1 2.0400 0.02 . 1 . . . . . . . . 4911 1 8 . 1 1 1 1 MET CG C 13 32.5600 0.05 . 1 . . . . . . . . 4911 1 9 . 1 1 1 1 MET HG2 H 1 2.4600 0.02 . 1 . . . . . . . . 4911 1 10 . 1 1 1 1 MET HG3 H 1 2.5300 0.02 . 1 . . . . . . . . 4911 1 11 . 1 1 1 1 MET CE C 13 17.5300 0.05 . 1 . . . . . . . . 4911 1 12 . 1 1 1 1 MET HE1 H 1 2.0600 0.02 . 1 . . . . . . . . 4911 1 13 . 1 1 1 1 MET HE2 H 1 2.0600 0.02 . 1 . . . . . . . . 4911 1 14 . 1 1 1 1 MET HE3 H 1 2.0600 0.02 . 1 . . . . . . . . 4911 1 15 . 1 1 2 2 CYS N N 15 120.4000 0.05 . 1 . . . . . . . . 4911 1 16 . 1 1 2 2 CYS H H 1 8.4300 0.02 . 1 . . . . . . . . 4911 1 17 . 1 1 2 2 CYS CA C 13 58.9600 0.05 . 1 . . . . . . . . 4911 1 18 . 1 1 2 2 CYS HA H 1 4.4570 0.02 . 1 . . . . . . . . 4911 1 19 . 1 1 2 2 CYS CB C 13 28.2800 0.05 . 1 . . . . . . . . 4911 1 20 . 1 1 2 2 CYS HB2 H 1 2.9200 0.02 . 1 . . . . . . . . 4911 1 21 . 1 1 2 2 CYS HB3 H 1 2.9200 0.02 . 1 . . . . . . . . 4911 1 22 . 1 1 3 3 ASP N N 15 123.2500 0.05 . 1 . . . . . . . . 4911 1 23 . 1 1 3 3 ASP H H 1 8.3500 0.02 . 1 . . . . . . . . 4911 1 24 . 1 1 3 3 ASP CA C 13 55.0000 0.05 . 1 . . . . . . . . 4911 1 25 . 1 1 3 3 ASP HA H 1 4.5760 0.02 . 1 . . . . . . . . 4911 1 26 . 1 1 3 3 ASP CB C 13 41.5100 0.05 . 1 . . . . . . . . 4911 1 27 . 1 1 3 3 ASP HB2 H 1 2.6860 0.02 . 1 . . . . . . . . 4911 1 28 . 1 1 3 3 ASP HB3 H 1 2.6860 0.02 . 1 . . . . . . . . 4911 1 29 . 1 1 4 4 ARG N N 15 121.4900 0.05 . 1 . . . . . . . . 4911 1 30 . 1 1 4 4 ARG H H 1 8.220 0.02 . 1 . . . . . . . . 4911 1 31 . 1 1 4 4 ARG CA C 13 55.9200 0.05 . 1 . . . . . . . . 4911 1 32 . 1 1 4 4 ARG HA H 1 4.3170 0.02 . 1 . . . . . . . . 4911 1 33 . 1 1 4 4 ARG CB C 13 30.8000 0.05 . 1 . . . . . . . . 4911 1 34 . 1 1 4 4 ARG HB2 H 1 1.7300 0.02 . 1 . . . . . . . . 4911 1 35 . 1 1 4 4 ARG HB3 H 1 1.8490 0.02 . 1 . . . . . . . . 4911 1 36 . 1 1 4 4 ARG CG C 13 27.6600 0.05 . 1 . . . . . . . . 4911 1 37 . 1 1 4 4 ARG HG2 H 1 1.5860 0.02 . 1 . . . . . . . . 4911 1 38 . 1 1 4 4 ARG HG3 H 1 1.6390 0.02 . 1 . . . . . . . . 4911 1 39 . 1 1 4 4 ARG CD C 13 43.8500 0.05 . 1 . . . . . . . . 4911 1 40 . 1 1 4 4 ARG HD2 H 1 3.1220 0.02 . 1 . . . . . . . . 4911 1 41 . 1 1 5 5 LYS N N 15 121.9500 0.05 . 1 . . . . . . . . 4911 1 42 . 1 1 5 5 LYS H H 1 8.1200 0.02 . 1 . . . . . . . . 4911 1 43 . 1 1 5 5 LYS CA C 13 56.4200 0.05 . 1 . . . . . . . . 4911 1 44 . 1 1 5 5 LYS HA H 1 4.3380 0.02 . 1 . . . . . . . . 4911 1 45 . 1 1 5 5 LYS CB C 13 33.5600 0.05 . 1 . . . . . . . . 4911 1 46 . 1 1 5 5 LYS HB2 H 1 1.7850 0.02 . 1 . . . . . . . . 4911 1 47 . 1 1 5 5 LYS HB3 H 1 1.7850 0.02 . 1 . . . . . . . . 4911 1 48 . 1 1 5 5 LYS CG C 13 25.1100 0.05 . 1 . . . . . . . . 4911 1 49 . 1 1 5 5 LYS HG2 H 1 1.4000 0.02 . 1 . . . . . . . . 4911 1 50 . 1 1 5 5 LYS HG3 H 1 1.4000 0.02 . 1 . . . . . . . . 4911 1 51 . 1 1 5 5 LYS CD C 13 29.5600 0.05 . 1 . . . . . . . . 4911 1 52 . 1 1 5 5 LYS HD2 H 1 1.6750 0.02 . 1 . . . . . . . . 4911 1 53 . 1 1 5 5 LYS HD3 H 1 1.6750 0.02 . 1 . . . . . . . . 4911 1 54 . 1 1 5 5 LYS CE C 13 42.6900 0.05 . 1 . . . . . . . . 4911 1 55 . 1 1 5 5 LYS HE2 H 1 2.9840 0.02 . 1 . . . . . . . . 4911 1 56 . 1 1 5 5 LYS HE3 H 1 2.9840 0.02 . 1 . . . . . . . . 4911 1 57 . 1 1 6 6 ALA N N 15 127.0500 0.05 . 1 . . . . . . . . 4911 1 58 . 1 1 6 6 ALA H H 1 8.5500 0.02 . 1 . . . . . . . . 4911 1 59 . 1 1 6 6 ALA CA C 13 51.9500 0.05 . 1 . . . . . . . . 4911 1 60 . 1 1 6 6 ALA HA H 1 5.1110 0.02 . 1 . . . . . . . . 4911 1 61 . 1 1 6 6 ALA CB C 13 21.5400 0.05 . 1 . . . . . . . . 4911 1 62 . 1 1 6 6 ALA HB1 H 1 1.3230 0.02 . 1 . . . . . . . . 4911 1 63 . 1 1 6 6 ALA HB2 H 1 1.3230 0.02 . 1 . . . . . . . . 4911 1 64 . 1 1 6 6 ALA HB3 H 1 1.3230 0.02 . 1 . . . . . . . . 4911 1 65 . 1 1 7 7 VAL N N 15 122.6400 0.05 . 1 . . . . . . . . 4911 1 66 . 1 1 7 7 VAL H H 1 8.7130 0.02 . 1 . . . . . . . . 4911 1 67 . 1 1 7 7 VAL CA C 13 62.0100 0.05 . 1 . . . . . . . . 4911 1 68 . 1 1 7 7 VAL HA H 1 4.1900 0.02 . 1 . . . . . . . . 4911 1 69 . 1 1 7 7 VAL CB C 13 34.5500 0.05 . 1 . . . . . . . . 4911 1 70 . 1 1 7 7 VAL HB H 1 1.9400 0.02 . 1 . . . . . . . . 4911 1 71 . 1 1 7 7 VAL CG1 C 13 21.3600 0.05 . 1 . . . . . . . . 4911 1 72 . 1 1 7 7 VAL HG11 H 1 0.7360 0.02 . 1 . . . . . . . . 4911 1 73 . 1 1 7 7 VAL HG12 H 1 0.7360 0.02 . 1 . . . . . . . . 4911 1 74 . 1 1 7 7 VAL HG13 H 1 0.7360 0.02 . 1 . . . . . . . . 4911 1 75 . 1 1 7 7 VAL CG2 C 13 20.8200 0.05 . 1 . . . . . . . . 4911 1 76 . 1 1 7 7 VAL HG21 H 1 0.9600 0.02 . 1 . . . . . . . . 4911 1 77 . 1 1 7 7 VAL HG22 H 1 0.9600 0.02 . 1 . . . . . . . . 4911 1 78 . 1 1 7 7 VAL HG23 H 1 0.9600 0.02 . 1 . . . . . . . . 4911 1 79 . 1 1 8 8 ILE N N 15 129.0700 0.05 . 1 . . . . . . . . 4911 1 80 . 1 1 8 8 ILE H H 1 9.1100 0.02 . 1 . . . . . . . . 4911 1 81 . 1 1 8 8 ILE CA C 13 62.3800 0.05 . 1 . . . . . . . . 4911 1 82 . 1 1 8 8 ILE HA H 1 3.8600 0.02 . 1 . . . . . . . . 4911 1 83 . 1 1 8 8 ILE CB C 13 36.2400 0.05 . 1 . . . . . . . . 4911 1 84 . 1 1 8 8 ILE HB H 1 1.9300 0.02 . 1 . . . . . . . . 4911 1 85 . 1 1 8 8 ILE CG1 C 13 28.0700 0.05 . 1 . . . . . . . . 4911 1 86 . 1 1 8 8 ILE HG12 H 1 1.0000 0.02 . 1 . . . . . . . . 4911 1 87 . 1 1 8 8 ILE HG13 H 1 1.4000 0.02 . 1 . . . . . . . . 4911 1 88 . 1 1 8 8 ILE CG2 C 13 18.5800 0.05 . 1 . . . . . . . . 4911 1 89 . 1 1 8 8 ILE HG21 H 1 0.7500 0.02 . 1 . . . . . . . . 4911 1 90 . 1 1 8 8 ILE HG22 H 1 0.7500 0.02 . 1 . . . . . . . . 4911 1 91 . 1 1 8 8 ILE HG23 H 1 0.7500 0.02 . 1 . . . . . . . . 4911 1 92 . 1 1 8 8 ILE CD1 C 13 11.8800 0.05 . 1 . . . . . . . . 4911 1 93 . 1 1 8 8 ILE HD11 H 1 0.5800 0.02 . 1 . . . . . . . . 4911 1 94 . 1 1 8 8 ILE HD12 H 1 0.5800 0.02 . 1 . . . . . . . . 4911 1 95 . 1 1 8 8 ILE HD13 H 1 0.5800 0.02 . 1 . . . . . . . . 4911 1 96 . 1 1 9 9 LYS N N 15 129.6600 0.05 . 1 . . . . . . . . 4911 1 97 . 1 1 9 9 LYS H H 1 8.0100 0.02 . 1 . . . . . . . . 4911 1 98 . 1 1 9 9 LYS CA C 13 56.4200 0.05 . 1 . . . . . . . . 4911 1 99 . 1 1 9 9 LYS HA H 1 4.2300 0.02 . 1 . . . . . . . . 4911 1 100 . 1 1 9 9 LYS CB C 13 32.5600 0.05 . 1 . . . . . . . . 4911 1 101 . 1 1 9 9 LYS HB2 H 1 1.1700 0.02 . 1 . . . . . . . . 4911 1 102 . 1 1 9 9 LYS HB3 H 1 1.4400 0.02 . 1 . . . . . . . . 4911 1 103 . 1 1 9 9 LYS CG C 13 24.3700 0.05 . 1 . . . . . . . . 4911 1 104 . 1 1 9 9 LYS HG2 H 1 0.5530 0.02 . 1 . . . . . . . . 4911 1 105 . 1 1 9 9 LYS HG3 H 1 0.8760 0.02 . 1 . . . . . . . . 4911 1 106 . 1 1 9 9 LYS CD C 13 28.0800 0.05 . 1 . . . . . . . . 4911 1 107 . 1 1 9 9 LYS HD2 H 1 0.9570 0.02 . 1 . . . . . . . . 4911 1 108 . 1 1 9 9 LYS HD3 H 1 1.1000 0.02 . 1 . . . . . . . . 4911 1 109 . 1 1 9 9 LYS HE2 H 1 2.7800 0.02 . 1 . . . . . . . . 4911 1 110 . 1 1 9 9 LYS HE3 H 1 2.7800 0.02 . 1 . . . . . . . . 4911 1 111 . 1 1 10 10 ASN N N 15 116.2900 0.05 . 1 . . . . . . . . 4911 1 112 . 1 1 10 10 ASN H H 1 8.0100 0.02 . 1 . . . . . . . . 4911 1 113 . 1 1 10 10 ASN CA C 13 54.4600 0.05 . 1 . . . . . . . . 4911 1 114 . 1 1 10 10 ASN HA H 1 4.8350 0.02 . 1 . . . . . . . . 4911 1 115 . 1 1 10 10 ASN CB C 13 42.0000 0.05 . 1 . . . . . . . . 4911 1 116 . 1 1 10 10 ASN HB2 H 1 3.0100 0.02 . 1 . . . . . . . . 4911 1 117 . 1 1 10 10 ASN HB3 H 1 3.0100 0.02 . 1 . . . . . . . . 4911 1 118 . 1 1 10 10 ASN ND2 N 15 110.1200 0.05 . 1 . . . . . . . . 4911 1 119 . 1 1 10 10 ASN HD21 H 1 6.7700 0.02 . 1 . . . . . . . . 4911 1 120 . 1 1 10 10 ASN HD22 H 1 7.4400 0.02 . 1 . . . . . . . . 4911 1 121 . 1 1 11 11 ALA N N 15 125.9000 0.05 . 1 . . . . . . . . 4911 1 122 . 1 1 11 11 ALA H H 1 8.7900 0.02 . 1 . . . . . . . . 4911 1 123 . 1 1 11 11 ALA CA C 13 52.2300 0.05 . 1 . . . . . . . . 4911 1 124 . 1 1 11 11 ALA HA H 1 4.8700 0.02 . 1 . . . . . . . . 4911 1 125 . 1 1 11 11 ALA CB C 13 22.6200 0.05 . 1 . . . . . . . . 4911 1 126 . 1 1 11 11 ALA HB1 H 1 1.3100 0.02 . 1 . . . . . . . . 4911 1 127 . 1 1 11 11 ALA HB2 H 1 1.3100 0.02 . 1 . . . . . . . . 4911 1 128 . 1 1 11 11 ALA HB3 H 1 1.3100 0.02 . 1 . . . . . . . . 4911 1 129 . 1 1 12 12 ASP N N 15 123.9700 0.05 . 1 . . . . . . . . 4911 1 130 . 1 1 12 12 ASP H H 1 8.9000 0.02 . 1 . . . . . . . . 4911 1 131 . 1 1 12 12 ASP CA C 13 53.9300 0.05 . 1 . . . . . . . . 4911 1 132 . 1 1 12 12 ASP HA H 1 4.8700 0.02 . 1 . . . . . . . . 4911 1 133 . 1 1 12 12 ASP CB C 13 41.0900 0.05 . 1 . . . . . . . . 4911 1 134 . 1 1 12 12 ASP HB2 H 1 2.7300 0.02 . 1 . . . . . . . . 4911 1 135 . 1 1 12 12 ASP HB3 H 1 2.8000 0.02 . 1 . . . . . . . . 4911 1 136 . 1 1 13 13 MET N N 15 119.7600 0.05 . 1 . . . . . . . . 4911 1 137 . 1 1 13 13 MET H H 1 7.7590 0.02 . 1 . . . . . . . . 4911 1 138 . 1 1 13 13 MET CA C 13 56.4200 0.05 . 1 . . . . . . . . 4911 1 139 . 1 1 13 13 MET HA H 1 4.5400 0.02 . 1 . . . . . . . . 4911 1 140 . 1 1 13 13 MET CB C 13 38.9800 0.05 . 1 . . . . . . . . 4911 1 141 . 1 1 13 13 MET HB2 H 1 1.8370 0.02 . 1 . . . . . . . . 4911 1 142 . 1 1 13 13 MET HB3 H 1 2.0740 0.02 . 1 . . . . . . . . 4911 1 143 . 1 1 13 13 MET CG C 13 34.3500 0.05 . 1 . . . . . . . . 4911 1 144 . 1 1 13 13 MET HG3 H 1 2.8200 0.02 . 1 . . . . . . . . 4911 1 145 . 1 1 13 13 MET HG2 H 1 2.6000 0.02 . 1 . . . . . . . . 4911 1 146 . 1 1 13 13 MET CE C 13 18.0900 0.05 . 1 . . . . . . . . 4911 1 147 . 1 1 13 13 MET HE1 H 1 1.9800 0.02 . 1 . . . . . . . . 4911 1 148 . 1 1 13 13 MET HE2 H 1 1.9800 0.02 . 1 . . . . . . . . 4911 1 149 . 1 1 13 13 MET HE3 H 1 1.9800 0.02 . 1 . . . . . . . . 4911 1 150 . 1 1 14 14 SER N N 15 122.5000 0.05 . 1 . . . . . . . . 4911 1 151 . 1 1 14 14 SER H H 1 9.2680 0.02 . 1 . . . . . . . . 4911 1 152 . 1 1 14 14 SER CA C 13 58.9000 0.05 . 1 . . . . . . . . 4911 1 153 . 1 1 14 14 SER HA H 1 4.4200 0.02 . 1 . . . . . . . . 4911 1 154 . 1 1 14 14 SER CB C 13 64.8700 0.05 . 1 . . . . . . . . 4911 1 155 . 1 1 14 14 SER HB2 H 1 4.4200 0.02 . 1 . . . . . . . . 4911 1 156 . 1 1 14 14 SER HB3 H 1 4.1000 0.02 . 1 . . . . . . . . 4911 1 157 . 1 1 15 15 GLU N N 15 123.9800 0.05 . 1 . . . . . . . . 4911 1 158 . 1 1 15 15 GLU H H 1 9.2600 0.02 . 1 . . . . . . . . 4911 1 159 . 1 1 15 15 GLU CA C 13 60.8900 0.05 . 1 . . . . . . . . 4911 1 160 . 1 1 15 15 GLU HA H 1 3.7700 0.02 . 1 . . . . . . . . 4911 1 161 . 1 1 15 15 GLU CB C 13 29.5800 0.05 . 1 . . . . . . . . 4911 1 162 . 1 1 15 15 GLU HB2 H 1 2.0200 0.02 . 1 . . . . . . . . 4911 1 163 . 1 1 15 15 GLU HB3 H 1 2.0200 0.02 . 1 . . . . . . . . 4911 1 164 . 1 1 15 15 GLU CG C 13 37.0600 0.05 . 1 . . . . . . . . 4911 1 165 . 1 1 15 15 GLU HG2 H 1 2.3200 0.02 . 1 . . . . . . . . 4911 1 166 . 1 1 15 15 GLU HG3 H 1 2.3200 0.02 . 1 . . . . . . . . 4911 1 167 . 1 1 16 16 GLU N N 15 119.2300 0.05 . 1 . . . . . . . . 4911 1 168 . 1 1 16 16 GLU H H 1 9.1700 0.02 . 1 . . . . . . . . 4911 1 169 . 1 1 16 16 GLU CA C 13 60.8900 0.05 . 1 . . . . . . . . 4911 1 170 . 1 1 16 16 GLU HA H 1 4.0100 0.02 . 1 . . . . . . . . 4911 1 171 . 1 1 16 16 GLU CB C 13 29.0800 0.05 . 1 . . . . . . . . 4911 1 172 . 1 1 16 16 GLU HB2 H 1 2.0100 0.02 . 1 . . . . . . . . 4911 1 173 . 1 1 16 16 GLU HB3 H 1 2.0100 0.02 . 1 . . . . . . . . 4911 1 174 . 1 1 16 16 GLU CG C 13 37.1100 0.05 . 1 . . . . . . . . 4911 1 175 . 1 1 16 16 GLU HG2 H 1 2.3900 0.02 . 1 . . . . . . . . 4911 1 176 . 1 1 16 16 GLU HG3 H 1 2.3200 0.02 . 1 . . . . . . . . 4911 1 177 . 1 1 17 17 MET N N 15 120.8700 0.05 . 1 . . . . . . . . 4911 1 178 . 1 1 17 17 MET H H 1 7.6100 0.02 . 1 . . . . . . . . 4911 1 179 . 1 1 17 17 MET CA C 13 60.3900 0.05 . 1 . . . . . . . . 4911 1 180 . 1 1 17 17 MET HA H 1 3.9600 0.02 . 1 . . . . . . . . 4911 1 181 . 1 1 17 17 MET CB C 13 33.6600 0.05 . 1 . . . . . . . . 4911 1 182 . 1 1 17 17 MET HB2 H 1 2.0000 0.02 . 1 . . . . . . . . 4911 1 183 . 1 1 17 17 MET HB3 H 1 2.1300 0.02 . 1 . . . . . . . . 4911 1 184 . 1 1 17 17 MET CG C 13 33.7100 0.05 . 1 . . . . . . . . 4911 1 185 . 1 1 17 17 MET HG2 H 1 2.3500 0.02 . 1 . . . . . . . . 4911 1 186 . 1 1 17 17 MET HG3 H 1 2.3500 0.02 . 1 . . . . . . . . 4911 1 187 . 1 1 17 17 MET CE C 13 16.9700 0.05 . 1 . . . . . . . . 4911 1 188 . 1 1 17 17 MET HE1 H 1 1.6700 0.02 . 1 . . . . . . . . 4911 1 189 . 1 1 17 17 MET HE2 H 1 1.6700 0.02 . 1 . . . . . . . . 4911 1 190 . 1 1 17 17 MET HE3 H 1 1.6700 0.02 . 1 . . . . . . . . 4911 1 191 . 1 1 18 18 GLN N N 15 122.9800 0.05 . 1 . . . . . . . . 4911 1 192 . 1 1 18 18 GLN H H 1 8.5600 0.02 . 1 . . . . . . . . 4911 1 193 . 1 1 18 18 GLN CA C 13 60.3500 0.05 . 1 . . . . . . . . 4911 1 194 . 1 1 18 18 GLN HA H 1 3.7480 0.02 . 1 . . . . . . . . 4911 1 195 . 1 1 18 18 GLN CB C 13 29.0800 0.05 . 1 . . . . . . . . 4911 1 196 . 1 1 18 18 GLN HB3 H 1 2.0900 0.02 . 1 . . . . . . . . 4911 1 197 . 1 1 18 18 GLN HB2 H 1 1.8400 0.02 . 1 . . . . . . . . 4911 1 198 . 1 1 18 18 GLN CG C 13 34.7600 0.05 . 1 . . . . . . . . 4911 1 199 . 1 1 18 18 GLN HG2 H 1 2.3150 0.02 . 1 . . . . . . . . 4911 1 200 . 1 1 18 18 GLN HG3 H 1 2.3890 0.02 . 1 . . . . . . . . 4911 1 201 . 1 1 18 18 GLN NE2 N 15 111.4800 0.05 . 1 . . . . . . . . 4911 1 202 . 1 1 18 18 GLN HE21 H 1 6.7500 0.02 . 1 . . . . . . . . 4911 1 203 . 1 1 18 18 GLN HE22 H 1 7.0200 0.02 . 1 . . . . . . . . 4911 1 204 . 1 1 19 19 GLN N N 15 118.5900 0.05 . 1 . . . . . . . . 4911 1 205 . 1 1 19 19 GLN H H 1 7.9200 0.02 . 1 . . . . . . . . 4911 1 206 . 1 1 19 19 GLN CA C 13 59.4000 0.05 . 1 . . . . . . . . 4911 1 207 . 1 1 19 19 GLN HA H 1 3.8720 0.02 . 1 . . . . . . . . 4911 1 208 . 1 1 19 19 GLN CB C 13 28.0900 0.05 . 1 . . . . . . . . 4911 1 209 . 1 1 19 19 GLN HB2 H 1 2.1200 0.02 . 1 . . . . . . . . 4911 1 210 . 1 1 19 19 GLN HB3 H 1 2.1200 0.02 . 1 . . . . . . . . 4911 1 211 . 1 1 19 19 GLN CG C 13 34.0000 0.05 . 1 . . . . . . . . 4911 1 212 . 1 1 19 19 GLN HG2 H 1 2.4100 0.02 . 1 . . . . . . . . 4911 1 213 . 1 1 19 19 GLN HG3 H 1 2.4100 0.02 . 1 . . . . . . . . 4911 1 214 . 1 1 19 19 GLN NE2 N 15 113.0800 0.05 . 1 . . . . . . . . 4911 1 215 . 1 1 19 19 GLN HE21 H 1 6.8400 0.02 . 1 . . . . . . . . 4911 1 216 . 1 1 19 19 GLN HE22 H 1 7.5900 0.02 . 1 . . . . . . . . 4911 1 217 . 1 1 20 20 ASP N N 15 120.0500 0.05 . 1 . . . . . . . . 4911 1 218 . 1 1 20 20 ASP H H 1 7.9500 0.02 . 1 . . . . . . . . 4911 1 219 . 1 1 20 20 ASP CA C 13 57.9100 0.05 . 1 . . . . . . . . 4911 1 220 . 1 1 20 20 ASP HA H 1 4.6000 0.02 . 1 . . . . . . . . 4911 1 221 . 1 1 20 20 ASP CB C 13 41.0300 0.05 . 1 . . . . . . . . 4911 1 222 . 1 1 20 20 ASP HB2 H 1 2.7400 0.02 . 1 . . . . . . . . 4911 1 223 . 1 1 20 20 ASP HB3 H 1 2.8600 0.02 . 1 . . . . . . . . 4911 1 224 . 1 1 21 21 SER N N 15 118.9500 0.05 . 1 . . . . . . . . 4911 1 225 . 1 1 21 21 SER H H 1 8.5100 0.02 . 1 . . . . . . . . 4911 1 226 . 1 1 21 21 SER CA C 13 63.4100 0.05 . 1 . . . . . . . . 4911 1 227 . 1 1 21 21 SER HA H 1 3.9800 0.02 . 1 . . . . . . . . 4911 1 228 . 1 1 21 21 SER CB C 13 63.4100 0.05 . 1 . . . . . . . . 4911 1 229 . 1 1 21 21 SER HB2 H 1 3.8300 0.02 . 1 . . . . . . . . 4911 1 230 . 1 1 21 21 SER HB3 H 1 3.3900 0.02 . 1 . . . . . . . . 4911 1 231 . 1 1 22 22 VAL N N 15 121.9700 0.05 . 1 . . . . . . . . 4911 1 232 . 1 1 22 22 VAL H H 1 7.3000 0.02 . 1 . . . . . . . . 4911 1 233 . 1 1 22 22 VAL CA C 13 67.2300 0.05 . 1 . . . . . . . . 4911 1 234 . 1 1 22 22 VAL HA H 1 3.3900 0.02 . 1 . . . . . . . . 4911 1 235 . 1 1 22 22 VAL CB C 13 32.1900 0.05 . 1 . . . . . . . . 4911 1 236 . 1 1 22 22 VAL HB H 1 1.9500 0.02 . 1 . . . . . . . . 4911 1 237 . 1 1 22 22 VAL CG2 C 13 22.0700 0.05 . 1 . . . . . . . . 4911 1 238 . 1 1 22 22 VAL HG21 H 1 0.7800 0.02 . 1 . . . . . . . . 4911 1 239 . 1 1 22 22 VAL HG22 H 1 0.7800 0.02 . 1 . . . . . . . . 4911 1 240 . 1 1 22 22 VAL HG23 H 1 0.7800 0.02 . 1 . . . . . . . . 4911 1 241 . 1 1 22 22 VAL CG1 C 13 21.7100 0.05 . 1 . . . . . . . . 4911 1 242 . 1 1 22 22 VAL HG11 H 1 0.3300 0.02 . 1 . . . . . . . . 4911 1 243 . 1 1 22 22 VAL HG12 H 1 0.3300 0.02 . 1 . . . . . . . . 4911 1 244 . 1 1 22 22 VAL HG13 H 1 0.3300 0.02 . 1 . . . . . . . . 4911 1 245 . 1 1 23 23 GLU N N 15 124.3000 0.05 . 1 . . . . . . . . 4911 1 246 . 1 1 23 23 GLU H H 1 8.524 0.02 . 1 . . . . . . . . 4911 1 247 . 1 1 23 23 GLU CA C 13 60.4100 0.05 . 1 . . . . . . . . 4911 1 248 . 1 1 23 23 GLU HA H 1 4.0600 0.02 . 1 . . . . . . . . 4911 1 249 . 1 1 23 23 GLU CB C 13 29.5800 0.05 . 1 . . . . . . . . 4911 1 250 . 1 1 23 23 GLU HB2 H 1 2.1700 0.02 . 1 . . . . . . . . 4911 1 251 . 1 1 23 23 GLU HB3 H 1 2.1700 0.02 . 1 . . . . . . . . 4911 1 252 . 1 1 23 23 GLU CG C 13 36.4800 0.05 . 1 . . . . . . . . 4911 1 253 . 1 1 23 23 GLU HG2 H 1 2.3370 0.02 . 1 . . . . . . . . 4911 1 254 . 1 1 23 23 GLU HG3 H 1 2.3370 0.02 . 1 . . . . . . . . 4911 1 255 . 1 1 24 24 CYS N N 15 120.2000 0.05 . 1 . . . . . . . . 4911 1 256 . 1 1 24 24 CYS H H 1 8.9000 0.02 . 1 . . . . . . . . 4911 1 257 . 1 1 24 24 CYS CA C 13 63.3200 0.05 . 1 . . . . . . . . 4911 1 258 . 1 1 24 24 CYS HA H 1 4.2700 0.02 . 1 . . . . . . . . 4911 1 259 . 1 1 24 24 CYS CB C 13 27.5900 0.05 . 1 . . . . . . . . 4911 1 260 . 1 1 24 24 CYS HB3 H 1 3.3560 0.02 . 1 . . . . . . . . 4911 1 261 . 1 1 24 24 CYS HB2 H 1 2.7960 0.02 . 1 . . . . . . . . 4911 1 262 . 1 1 25 25 ALA N N 15 120.8400 0.05 . 1 . . . . . . . . 4911 1 263 . 1 1 25 25 ALA H H 1 8.3300 0.02 . 1 . . . . . . . . 4911 1 264 . 1 1 25 25 ALA CA C 13 55.4200 0.05 . 1 . . . . . . . . 4911 1 265 . 1 1 25 25 ALA HA H 1 4.0000 0.02 . 1 . . . . . . . . 4911 1 266 . 1 1 25 25 ALA CB C 13 20.3600 0.05 . 1 . . . . . . . . 4911 1 267 . 1 1 25 25 ALA HB1 H 1 1.6000 0.02 . 1 . . . . . . . . 4911 1 268 . 1 1 25 25 ALA HB2 H 1 1.6000 0.02 . 1 . . . . . . . . 4911 1 269 . 1 1 25 25 ALA HB3 H 1 1.6000 0.02 . 1 . . . . . . . . 4911 1 270 . 1 1 26 26 THR N N 15 115.9300 0.05 . 1 . . . . . . . . 4911 1 271 . 1 1 26 26 THR H H 1 8.38 0.02 . 1 . . . . . . . . 4911 1 272 . 1 1 26 26 THR CA C 13 68.3300 0.05 . 1 . . . . . . . . 4911 1 273 . 1 1 26 26 THR HA H 1 3.7500 0.02 . 1 . . . . . . . . 4911 1 274 . 1 1 26 26 THR CB C 13 69.1600 0.05 . 1 . . . . . . . . 4911 1 275 . 1 1 26 26 THR HB H 1 4.4750 0.02 . 1 . . . . . . . . 4911 1 276 . 1 1 26 26 THR CG2 C 13 21.4300 0.05 . 1 . . . . . . . . 4911 1 277 . 1 1 26 26 THR HG21 H 1 1.2300 0.02 . 1 . . . . . . . . 4911 1 278 . 1 1 26 26 THR HG22 H 1 1.2300 0.02 . 1 . . . . . . . . 4911 1 279 . 1 1 26 26 THR HG23 H 1 1.2300 0.02 . 1 . . . . . . . . 4911 1 280 . 1 1 27 27 GLN N N 15 120.6500 0.05 . 1 . . . . . . . . 4911 1 281 . 1 1 27 27 GLN H H 1 7.7900 0.02 . 1 . . . . . . . . 4911 1 282 . 1 1 27 27 GLN CA C 13 59.0400 0.05 . 1 . . . . . . . . 4911 1 283 . 1 1 27 27 GLN HA H 1 3.9600 0.02 . 1 . . . . . . . . 4911 1 284 . 1 1 27 27 GLN CB C 13 28.6000 0.05 . 1 . . . . . . . . 4911 1 285 . 1 1 27 27 GLN HB2 H 1 2.0400 0.02 . 1 . . . . . . . . 4911 1 286 . 1 1 27 27 GLN HB3 H 1 2.3100 0.02 . 1 . . . . . . . . 4911 1 287 . 1 1 27 27 GLN CG C 13 34.4300 0.05 . 1 . . . . . . . . 4911 1 288 . 1 1 27 27 GLN HG2 H 1 2.3500 0.02 . 1 . . . . . . . . 4911 1 289 . 1 1 27 27 GLN HG3 H 1 2.5600 0.02 . 1 . . . . . . . . 4911 1 290 . 1 1 27 27 GLN NE2 N 15 113.2700 0.05 . 1 . . . . . . . . 4911 1 291 . 1 1 27 27 GLN HE21 H 1 6.8600 0.02 . 1 . . . . . . . . 4911 1 292 . 1 1 27 27 GLN HE22 H 1 7.7000 0.02 . 1 . . . . . . . . 4911 1 293 . 1 1 28 28 ALA N N 15 122.1500 0.05 . 1 . . . . . . . . 4911 1 294 . 1 1 28 28 ALA H H 1 8.2200 0.02 . 1 . . . . . . . . 4911 1 295 . 1 1 28 28 ALA CA C 13 55.6800 0.05 . 1 . . . . . . . . 4911 1 296 . 1 1 28 28 ALA HA H 1 3.5200 0.02 . 1 . . . . . . . . 4911 1 297 . 1 1 28 28 ALA CB C 13 20.6200 0.05 . 1 . . . . . . . . 4911 1 298 . 1 1 28 28 ALA HB1 H 1 1.7100 0.02 . 1 . . . . . . . . 4911 1 299 . 1 1 28 28 ALA HB2 H 1 1.7100 0.02 . 1 . . . . . . . . 4911 1 300 . 1 1 28 28 ALA HB3 H 1 1.7100 0.02 . 1 . . . . . . . . 4911 1 301 . 1 1 29 29 LEU N N 15 117.5700 0.05 . 1 . . . . . . . . 4911 1 302 . 1 1 29 29 LEU H H 1 8.2600 0.02 . 1 . . . . . . . . 4911 1 303 . 1 1 29 29 LEU CA C 13 57.7200 0.05 . 1 . . . . . . . . 4911 1 304 . 1 1 29 29 LEU HA H 1 4.2200 0.02 . 1 . . . . . . . . 4911 1 305 . 1 1 29 29 LEU CB C 13 42.5200 0.05 . 1 . . . . . . . . 4911 1 306 . 1 1 29 29 LEU HB3 H 1 1.8200 0.02 . 1 . . . . . . . . 4911 1 307 . 1 1 29 29 LEU HB2 H 1 1.6200 0.02 . 1 . . . . . . . . 4911 1 308 . 1 1 29 29 LEU CG C 13 29.2100 0.05 . 1 . . . . . . . . 4911 1 309 . 1 1 29 29 LEU HG H 1 1.8300 0.02 . 1 . . . . . . . . 4911 1 310 . 1 1 29 29 LEU CD1 C 13 26.0100 0.05 . 1 . . . . . . . . 4911 1 311 . 1 1 29 29 LEU HD11 H 1 0.8400 0.02 . 1 . . . . . . . . 4911 1 312 . 1 1 29 29 LEU HD12 H 1 0.8400 0.02 . 1 . . . . . . . . 4911 1 313 . 1 1 29 29 LEU HD13 H 1 0.8400 0.02 . 1 . . . . . . . . 4911 1 314 . 1 1 29 29 LEU CD2 C 13 25.1400 0.05 . 1 . . . . . . . . 4911 1 315 . 1 1 29 29 LEU HD21 H 1 0.8800 0.02 . 1 . . . . . . . . 4911 1 316 . 1 1 29 29 LEU HD22 H 1 0.8800 0.02 . 1 . . . . . . . . 4911 1 317 . 1 1 29 29 LEU HD23 H 1 0.8800 0.02 . 1 . . . . . . . . 4911 1 318 . 1 1 30 30 GLU N N 15 116.6000 0.05 . 1 . . . . . . . . 4911 1 319 . 1 1 30 30 GLU H H 1 7.3300 0.02 . 1 . . . . . . . . 4911 1 320 . 1 1 30 30 GLU CA C 13 58.3000 0.05 . 1 . . . . . . . . 4911 1 321 . 1 1 30 30 GLU HA H 1 4.0550 0.02 . 1 . . . . . . . . 4911 1 322 . 1 1 30 30 GLU CB C 13 30.2900 0.05 . 1 . . . . . . . . 4911 1 323 . 1 1 30 30 GLU HB2 H 1 2.0150 0.02 . 1 . . . . . . . . 4911 1 324 . 1 1 30 30 GLU HB3 H 1 2.0150 0.02 . 1 . . . . . . . . 4911 1 325 . 1 1 30 30 GLU CG C 13 36.8300 0.05 . 1 . . . . . . . . 4911 1 326 . 1 1 30 30 GLU HG2 H 1 2.1970 0.02 . 1 . . . . . . . . 4911 1 327 . 1 1 30 30 GLU HG3 H 1 2.3900 0.02 . 1 . . . . . . . . 4911 1 328 . 1 1 31 31 LYS N N 15 117.7000 0.05 . 1 . . . . . . . . 4911 1 329 . 1 1 31 31 LYS H H 1 7.1500 0.02 . 1 . . . . . . . . 4911 1 330 . 1 1 31 31 LYS CA C 13 58.1000 0.05 . 1 . . . . . . . . 4911 1 331 . 1 1 31 31 LYS HA H 1 3.9000 0.02 . 1 . . . . . . . . 4911 1 332 . 1 1 31 31 LYS CB C 13 35.5300 0.05 . 1 . . . . . . . . 4911 1 333 . 1 1 31 31 LYS HB3 H 1 1.0500 0.02 . 1 . . . . . . . . 4911 1 334 . 1 1 31 31 LYS HB2 H 1 0.7800 0.02 . 1 . . . . . . . . 4911 1 335 . 1 1 31 31 LYS CG C 13 25.0600 0.05 . 1 . . . . . . . . 4911 1 336 . 1 1 31 31 LYS HG3 H 1 1.0400 0.02 . 1 . . . . . . . . 4911 1 337 . 1 1 31 31 LYS HG2 H 1 0.7200 0.02 . 1 . . . . . . . . 4911 1 338 . 1 1 31 31 LYS CD C 13 29.6300 0.05 . 1 . . . . . . . . 4911 1 339 . 1 1 31 31 LYS HD2 H 1 1.2100 0.02 . 1 . . . . . . . . 4911 1 340 . 1 1 31 31 LYS CE C 13 42.3600 0.05 . 1 . . . . . . . . 4911 1 341 . 1 1 31 31 LYS HE2 H 1 2.7800 0.02 . 1 . . . . . . . . 4911 1 342 . 1 1 32 32 TYR N N 15 117.5900 0.05 . 1 . . . . . . . . 4911 1 343 . 1 1 32 32 TYR H H 1 8.1400 0.02 . 1 . . . . . . . . 4911 1 344 . 1 1 32 32 TYR CA C 13 57.4100 0.05 . 1 . . . . . . . . 4911 1 345 . 1 1 32 32 TYR HA H 1 4.8900 0.02 . 1 . . . . . . . . 4911 1 346 . 1 1 32 32 TYR CB C 13 42.4000 0.05 . 1 . . . . . . . . 4911 1 347 . 1 1 32 32 TYR HB2 H 1 2.5800 0.02 . 1 . . . . . . . . 4911 1 348 . 1 1 32 32 TYR HB3 H 1 3.2100 0.02 . 1 . . . . . . . . 4911 1 349 . 1 1 32 32 TYR HD1 H 1 6.72 0.02 . 1 . . . . . . . . 4911 1 350 . 1 1 32 32 TYR HD2 H 1 6.72 0.02 . 1 . . . . . . . . 4911 1 351 . 1 1 32 32 TYR HE1 H 1 7.12 0.02 . 1 . . . . . . . . 4911 1 352 . 1 1 32 32 TYR HE2 H 1 7.12 0.02 . 1 . . . . . . . . 4911 1 353 . 1 1 33 33 ASN N N 15 114.5500 0.05 . 1 . . . . . . . . 4911 1 354 . 1 1 33 33 ASN H H 1 8.3600 0.02 . 1 . . . . . . . . 4911 1 355 . 1 1 33 33 ASN CA C 13 53.4400 0.05 . 1 . . . . . . . . 4911 1 356 . 1 1 33 33 ASN HA H 1 4.8700 0.02 . 1 . . . . . . . . 4911 1 357 . 1 1 33 33 ASN CB C 13 41.0100 0.05 . 1 . . . . . . . . 4911 1 358 . 1 1 33 33 ASN HB2 H 1 2.7300 0.02 . 1 . . . . . . . . 4911 1 359 . 1 1 33 33 ASN HB3 H 1 2.8000 0.02 . 1 . . . . . . . . 4911 1 360 . 1 1 33 33 ASN ND2 N 15 113.3100 0.05 . 1 . . . . . . . . 4911 1 361 . 1 1 33 33 ASN HD21 H 1 6.8100 0.02 . 1 . . . . . . . . 4911 1 362 . 1 1 33 33 ASN HD22 H 1 7.5300 0.02 . 1 . . . . . . . . 4911 1 363 . 1 1 34 34 ILE N N 15 121.5100 0.05 . 1 . . . . . . . . 4911 1 364 . 1 1 34 34 ILE H H 1 7.8800 0.02 . 1 . . . . . . . . 4911 1 365 . 1 1 34 34 ILE CA C 13 60.8900 0.05 . 1 . . . . . . . . 4911 1 366 . 1 1 34 34 ILE HA H 1 4.2000 0.02 . 1 . . . . . . . . 4911 1 367 . 1 1 34 34 ILE CB C 13 39.0900 0.05 . 1 . . . . . . . . 4911 1 368 . 1 1 34 34 ILE HB H 1 2.0400 0.02 . 1 . . . . . . . . 4911 1 369 . 1 1 34 34 ILE CG1 C 13 21.4200 0.05 . 1 . . . . . . . . 4911 1 370 . 1 1 34 34 ILE HG12 H 1 1.2830 0.02 . 1 . . . . . . . . 4911 1 371 . 1 1 34 34 ILE HG13 H 1 1.5840 0.02 . 1 . . . . . . . . 4911 1 372 . 1 1 34 34 ILE CG2 C 13 17.9900 0.05 . 1 . . . . . . . . 4911 1 373 . 1 1 34 34 ILE HG21 H 1 0.9400 0.02 . 1 . . . . . . . . 4911 1 374 . 1 1 34 34 ILE HG22 H 1 0.9400 0.02 . 1 . . . . . . . . 4911 1 375 . 1 1 34 34 ILE HG23 H 1 0.9400 0.02 . 1 . . . . . . . . 4911 1 376 . 1 1 34 34 ILE CD1 C 13 12.4700 0.05 . 1 . . . . . . . . 4911 1 377 . 1 1 34 34 ILE HD11 H 1 0.8800 0.02 . 1 . . . . . . . . 4911 1 378 . 1 1 34 34 ILE HD12 H 1 0.8800 0.02 . 1 . . . . . . . . 4911 1 379 . 1 1 34 34 ILE HD13 H 1 0.8800 0.02 . 1 . . . . . . . . 4911 1 380 . 1 1 35 35 GLU N N 15 131.4700 0.05 . 1 . . . . . . . . 4911 1 381 . 1 1 35 35 GLU H H 1 10.4900 0.02 . 1 . . . . . . . . 4911 1 382 . 1 1 35 35 GLU CA C 13 63.9300 0.05 . 1 . . . . . . . . 4911 1 383 . 1 1 35 35 GLU HA H 1 3.6800 0.02 . 1 . . . . . . . . 4911 1 384 . 1 1 35 35 GLU CB C 13 28.5900 0.05 . 1 . . . . . . . . 4911 1 385 . 1 1 35 35 GLU HB2 H 1 1.8700 0.02 . 1 . . . . . . . . 4911 1 386 . 1 1 35 35 GLU HB3 H 1 2.1000 0.02 . 1 . . . . . . . . 4911 1 387 . 1 1 35 35 GLU CG C 13 36.6000 0.05 . 1 . . . . . . . . 4911 1 388 . 1 1 35 35 GLU HG2 H 1 2.6200 0.02 . 1 . . . . . . . . 4911 1 389 . 1 1 35 35 GLU HG3 H 1 2.6800 0.02 . 1 . . . . . . . . 4911 1 390 . 1 1 36 36 LYS N N 15 118.1300 0.05 . 1 . . . . . . . . 4911 1 391 . 1 1 36 36 LYS H H 1 8.9000 0.02 . 1 . . . . . . . . 4911 1 392 . 1 1 36 36 LYS CA C 13 60.3900 0.05 . 1 . . . . . . . . 4911 1 393 . 1 1 36 36 LYS HA H 1 3.8100 0.02 . 1 . . . . . . . . 4911 1 394 . 1 1 36 36 LYS CB C 13 32.1000 0.05 . 1 . . . . . . . . 4911 1 395 . 1 1 36 36 LYS HB3 H 1 2.1100 0.02 . 1 . . . . . . . . 4911 1 396 . 1 1 36 36 LYS HB2 H 1 1.6900 0.02 . 1 . . . . . . . . 4911 1 397 . 1 1 36 36 LYS CG C 13 25.5100 0.05 . 1 . . . . . . . . 4911 1 398 . 1 1 36 36 LYS HG2 H 1 1.3700 0.02 . 1 . . . . . . . . 4911 1 399 . 1 1 36 36 LYS HG3 H 1 1.4500 0.02 . 1 . . . . . . . . 4911 1 400 . 1 1 36 36 LYS CD C 13 29.9200 0.05 . 1 . . . . . . . . 4911 1 401 . 1 1 36 36 LYS HD2 H 1 1.4500 0.02 . 1 . . . . . . . . 4911 1 402 . 1 1 36 36 LYS HE2 H 1 2.8100 0.02 . 1 . . . . . . . . 4911 1 403 . 1 1 36 36 LYS HE3 H 1 2.9200 0.02 . 1 . . . . . . . . 4911 1 404 . 1 1 37 37 ASP N N 15 119.8400 0.05 . 1 . . . . . . . . 4911 1 405 . 1 1 37 37 ASP H H 1 6.9600 0.02 . 1 . . . . . . . . 4911 1 406 . 1 1 37 37 ASP CA C 13 56.8700 0.05 . 1 . . . . . . . . 4911 1 407 . 1 1 37 37 ASP HA H 1 4.1100 0.02 . 1 . . . . . . . . 4911 1 408 . 1 1 37 37 ASP CB C 13 40.0200 0.05 . 1 . . . . . . . . 4911 1 409 . 1 1 37 37 ASP HB3 H 1 2.5870 0.02 . 1 . . . . . . . . 4911 1 410 . 1 1 37 37 ASP HB2 H 1 1.8690 0.02 . 1 . . . . . . . . 4911 1 411 . 1 1 38 38 ILE N N 15 123.5400 0.05 . 1 . . . . . . . . 4911 1 412 . 1 1 38 38 ILE H H 1 7.6500 0.02 . 1 . . . . . . . . 4911 1 413 . 1 1 38 38 ILE CA C 13 66.0300 0.05 . 1 . . . . . . . . 4911 1 414 . 1 1 38 38 ILE HA H 1 3.4300 0.02 . 1 . . . . . . . . 4911 1 415 . 1 1 38 38 ILE CB C 13 39.0200 0.05 . 1 . . . . . . . . 4911 1 416 . 1 1 38 38 ILE HB H 1 1.9000 0.02 . 1 . . . . . . . . 4911 1 417 . 1 1 38 38 ILE CG1 C 13 30.7500 0.05 . 1 . . . . . . . . 4911 1 418 . 1 1 38 38 ILE HG13 H 1 1.6200 0.02 . 1 . . . . . . . . 4911 1 419 . 1 1 38 38 ILE HG12 H 1 1.5900 0.02 . 1 . . . . . . . . 4911 1 420 . 1 1 38 38 ILE CG2 C 13 18.3600 0.05 . 1 . . . . . . . . 4911 1 421 . 1 1 38 38 ILE HG21 H 1 0.8600 0.02 . 1 . . . . . . . . 4911 1 422 . 1 1 38 38 ILE HG22 H 1 0.8600 0.02 . 1 . . . . . . . . 4911 1 423 . 1 1 38 38 ILE HG23 H 1 0.8600 0.02 . 1 . . . . . . . . 4911 1 424 . 1 1 38 38 ILE CD1 C 13 14.3900 0.05 . 1 . . . . . . . . 4911 1 425 . 1 1 38 38 ILE HD11 H 1 0.6800 0.02 . 1 . . . . . . . . 4911 1 426 . 1 1 38 38 ILE HD12 H 1 0.6800 0.02 . 1 . . . . . . . . 4911 1 427 . 1 1 38 38 ILE HD13 H 1 0.6800 0.02 . 1 . . . . . . . . 4911 1 428 . 1 1 39 39 ALA N N 15 119.9500 0.05 . 1 . . . . . . . . 4911 1 429 . 1 1 39 39 ALA H H 1 8.3700 0.02 . 1 . . . . . . . . 4911 1 430 . 1 1 39 39 ALA CA C 13 55.1200 0.05 . 1 . . . . . . . . 4911 1 431 . 1 1 39 39 ALA HA H 1 3.9400 0.02 . 1 . . . . . . . . 4911 1 432 . 1 1 39 39 ALA CB C 13 18.2400 0.05 . 1 . . . . . . . . 4911 1 433 . 1 1 39 39 ALA HB1 H 1 1.3300 0.02 . 1 . . . . . . . . 4911 1 434 . 1 1 39 39 ALA HB2 H 1 1.3300 0.02 . 1 . . . . . . . . 4911 1 435 . 1 1 39 39 ALA HB3 H 1 1.3300 0.02 . 1 . . . . . . . . 4911 1 436 . 1 1 40 40 ALA N N 15 119.8400 0.05 . 1 . . . . . . . . 4911 1 437 . 1 1 40 40 ALA H H 1 7.8550 0.02 . 1 . . . . . . . . 4911 1 438 . 1 1 40 40 ALA CA C 13 55.5700 0.05 . 1 . . . . . . . . 4911 1 439 . 1 1 40 40 ALA HA H 1 3.2800 0.02 . 1 . . . . . . . . 4911 1 440 . 1 1 40 40 ALA CB C 13 18.6500 0.05 . 1 . . . . . . . . 4911 1 441 . 1 1 40 40 ALA HB1 H 1 0.6300 0.02 . 1 . . . . . . . . 4911 1 442 . 1 1 40 40 ALA HB2 H 1 0.6300 0.02 . 1 . . . . . . . . 4911 1 443 . 1 1 40 40 ALA HB3 H 1 0.6300 0.02 . 1 . . . . . . . . 4911 1 444 . 1 1 41 41 HIS N N 15 116.7400 0.05 . 1 . . . . . . . . 4911 1 445 . 1 1 41 41 HIS H H 1 7.4000 0.02 . 1 . . . . . . . . 4911 1 446 . 1 1 41 41 HIS CA C 13 61.3900 0.05 . 1 . . . . . . . . 4911 1 447 . 1 1 41 41 HIS HA H 1 3.9000 0.02 . 1 . . . . . . . . 4911 1 448 . 1 1 41 41 HIS CB C 13 31.5700 0.05 . 1 . . . . . . . . 4911 1 449 . 1 1 41 41 HIS HB2 H 1 3.1300 0.02 . 1 . . . . . . . . 4911 1 450 . 1 1 41 41 HIS HB3 H 1 3.2500 0.02 . 1 . . . . . . . . 4911 1 451 . 1 1 41 41 HIS HD2 H 1 6.7300 0.02 . 1 . . . . . . . . 4911 1 452 . 1 1 41 41 HIS HE1 H 1 7.8700 0.02 . 1 . . . . . . . . 4911 1 453 . 1 1 42 42 ILE N N 15 117.0200 0.05 . 1 . . . . . . . . 4911 1 454 . 1 1 42 42 ILE H H 1 7.5200 0.02 . 1 . . . . . . . . 4911 1 455 . 1 1 42 42 ILE CA C 13 65.8600 0.05 . 1 . . . . . . . . 4911 1 456 . 1 1 42 42 ILE HA H 1 3.6000 0.02 . 1 . . . . . . . . 4911 1 457 . 1 1 42 42 ILE CB C 13 38.9500 0.05 . 1 . . . . . . . . 4911 1 458 . 1 1 42 42 ILE HB H 1 1.9020 0.02 . 1 . . . . . . . . 4911 1 459 . 1 1 42 42 ILE HG12 H 1 2.0980 0.02 . 1 . . . . . . . . 4911 1 460 . 1 1 42 42 ILE HG13 H 1 2.0980 0.02 . 1 . . . . . . . . 4911 1 461 . 1 1 42 42 ILE CG2 C 13 19.7000 0.05 . 1 . . . . . . . . 4911 1 462 . 1 1 42 42 ILE HG21 H 1 0.6700 0.02 . 1 . . . . . . . . 4911 1 463 . 1 1 42 42 ILE HG22 H 1 0.6700 0.02 . 1 . . . . . . . . 4911 1 464 . 1 1 42 42 ILE HG23 H 1 0.6700 0.02 . 1 . . . . . . . . 4911 1 465 . 1 1 42 42 ILE CD1 C 13 15.6200 0.05 . 1 . . . . . . . . 4911 1 466 . 1 1 42 42 ILE HD11 H 1 0.7800 0.02 . 1 . . . . . . . . 4911 1 467 . 1 1 42 42 ILE HD12 H 1 0.7800 0.02 . 1 . . . . . . . . 4911 1 468 . 1 1 42 42 ILE HD13 H 1 0.7800 0.02 . 1 . . . . . . . . 4911 1 469 . 1 1 43 43 LYS N N 15 118.9200 0.05 . 1 . . . . . . . . 4911 1 470 . 1 1 43 43 LYS H H 1 8.2500 0.02 . 1 . . . . . . . . 4911 1 471 . 1 1 43 43 LYS CA C 13 61.3900 0.05 . 1 . . . . . . . . 4911 1 472 . 1 1 43 43 LYS HA H 1 3.4000 0.02 . 1 . . . . . . . . 4911 1 473 . 1 1 43 43 LYS CB C 13 36.0400 0.05 . 1 . . . . . . . . 4911 1 474 . 1 1 43 43 LYS HB2 H 1 1.9000 0.02 . 1 . . . . . . . . 4911 1 475 . 1 1 43 43 LYS HB3 H 1 2.1100 0.02 . 1 . . . . . . . . 4911 1 476 . 1 1 44 44 LYS N N 15 117.9600 0.05 . 1 . . . . . . . . 4911 1 477 . 1 1 44 44 LYS H H 1 8.3700 0.02 . 1 . . . . . . . . 4911 1 478 . 1 1 44 44 LYS CA C 13 60.8900 0.05 . 1 . . . . . . . . 4911 1 479 . 1 1 44 44 LYS HA H 1 3.8400 0.02 . 1 . . . . . . . . 4911 1 480 . 1 1 44 44 LYS CB C 13 32.5600 0.05 . 1 . . . . . . . . 4911 1 481 . 1 1 44 44 LYS HB2 H 1 1.6400 0.02 . 1 . . . . . . . . 4911 1 482 . 1 1 44 44 LYS HB3 H 1 1.7500 0.02 . 1 . . . . . . . . 4911 1 483 . 1 1 44 44 LYS CG C 13 29.7700 0.05 . 1 . . . . . . . . 4911 1 484 . 1 1 44 44 LYS HG2 H 1 1.4000 0.02 . 1 . . . . . . . . 4911 1 485 . 1 1 44 44 LYS HG3 H 1 1.4900 0.02 . 1 . . . . . . . . 4911 1 486 . 1 1 44 44 LYS CE C 13 42.2500 0.05 . 1 . . . . . . . . 4911 1 487 . 1 1 44 44 LYS HE2 H 1 2.6300 0.02 . 1 . . . . . . . . 4911 1 488 . 1 1 44 44 LYS HE3 H 1 2.6300 0.02 . 1 . . . . . . . . 4911 1 489 . 1 1 45 45 GLU N N 15 119.9500 0.05 . 1 . . . . . . . . 4911 1 490 . 1 1 45 45 GLU H H 1 7.8500 0.02 . 1 . . . . . . . . 4911 1 491 . 1 1 45 45 GLU CA C 13 59.4000 0.05 . 1 . . . . . . . . 4911 1 492 . 1 1 45 45 GLU HA H 1 3.8900 0.02 . 1 . . . . . . . . 4911 1 493 . 1 1 45 45 GLU CB C 13 30.0800 0.05 . 1 . . . . . . . . 4911 1 494 . 1 1 45 45 GLU HB2 H 1 1.7600 0.02 . 1 . . . . . . . . 4911 1 495 . 1 1 45 45 GLU HB3 H 1 1.9700 0.02 . 1 . . . . . . . . 4911 1 496 . 1 1 45 45 GLU CG C 13 34.0000 0.05 . 1 . . . . . . . . 4911 1 497 . 1 1 45 45 GLU HG2 H 1 2.4200 0.02 . 1 . . . . . . . . 4911 1 498 . 1 1 45 45 GLU HG3 H 1 2.9800 0.02 . 1 . . . . . . . . 4911 1 499 . 1 1 46 46 PHE N N 15 123.7800 0.05 . 1 . . . . . . . . 4911 1 500 . 1 1 46 46 PHE H H 1 8.4500 0.02 . 1 . . . . . . . . 4911 1 501 . 1 1 46 46 PHE CA C 13 63.8700 0.05 . 1 . . . . . . . . 4911 1 502 . 1 1 46 46 PHE HA H 1 3.6100 0.02 . 1 . . . . . . . . 4911 1 503 . 1 1 46 46 PHE CB C 13 36.3500 0.05 . 1 . . . . . . . . 4911 1 504 . 1 1 46 46 PHE HB2 H 1 0.6900 0.02 . 1 . . . . . . . . 4911 1 505 . 1 1 46 46 PHE HB3 H 1 2.5700 0.02 . 1 . . . . . . . . 4911 1 506 . 1 1 46 46 PHE HD1 H 1 5.7700 0.02 . 1 . . . . . . . . 4911 1 507 . 1 1 46 46 PHE HD2 H 1 5.7700 0.02 . 1 . . . . . . . . 4911 1 508 . 1 1 46 46 PHE HE1 H 1 6.5800 0.02 . 1 . . . . . . . . 4911 1 509 . 1 1 46 46 PHE HE2 H 1 6.5800 0.02 . 1 . . . . . . . . 4911 1 510 . 1 1 46 46 PHE HZ H 1 6.9800 0.02 . 1 . . . . . . . . 4911 1 511 . 1 1 47 47 ASP N N 15 120.4900 0.05 . 1 . . . . . . . . 4911 1 512 . 1 1 47 47 ASP H H 1 8.4700 0.02 . 1 . . . . . . . . 4911 1 513 . 1 1 47 47 ASP CA C 13 57.9100 0.05 . 1 . . . . . . . . 4911 1 514 . 1 1 47 47 ASP HA H 1 4.2800 0.02 . 1 . . . . . . . . 4911 1 515 . 1 1 47 47 ASP CB C 13 40.5200 0.05 . 1 . . . . . . . . 4911 1 516 . 1 1 47 47 ASP HB3 H 1 2.7800 0.02 . 1 . . . . . . . . 4911 1 517 . 1 1 47 47 ASP HB2 H 1 2.5200 0.02 . 1 . . . . . . . . 4911 1 518 . 1 1 48 48 LYS N N 15 117.6800 0.05 . 1 . . . . . . . . 4911 1 519 . 1 1 48 48 LYS H H 1 7.2000 0.02 . 1 . . . . . . . . 4911 1 520 . 1 1 48 48 LYS CA C 13 59.9000 0.05 . 1 . . . . . . . . 4911 1 521 . 1 1 48 48 LYS HA H 1 3.9300 0.02 . 1 . . . . . . . . 4911 1 522 . 1 1 48 48 LYS CB C 13 33.0600 0.05 . 1 . . . . . . . . 4911 1 523 . 1 1 48 48 LYS HB2 H 1 1.7600 0.02 . 1 . . . . . . . . 4911 1 524 . 1 1 48 48 LYS CG C 13 25.2900 0.05 . 1 . . . . . . . . 4911 1 525 . 1 1 48 48 LYS HG3 H 1 1.4500 0.02 . 1 . . . . . . . . 4911 1 526 . 1 1 48 48 LYS HG2 H 1 1.2400 0.02 . 1 . . . . . . . . 4911 1 527 . 1 1 48 48 LYS CD C 13 29.8200 0.05 . 1 . . . . . . . . 4911 1 528 . 1 1 48 48 LYS HD2 H 1 1.5900 0.02 . 1 . . . . . . . . 4911 1 529 . 1 1 48 48 LYS CE C 13 42.2100 0.05 . 1 . . . . . . . . 4911 1 530 . 1 1 48 48 LYS HE2 H 1 2.8200 0.02 . 1 . . . . . . . . 4911 1 531 . 1 1 49 49 LYS N N 15 118.1500 0.05 . 1 . . . . . . . . 4911 1 532 . 1 1 49 49 LYS H H 1 7.9600 0.02 . 1 . . . . . . . . 4911 1 533 . 1 1 49 49 LYS CA C 13 59.3500 0.05 . 1 . . . . . . . . 4911 1 534 . 1 1 49 49 LYS HA H 1 3.7320 0.02 . 1 . . . . . . . . 4911 1 535 . 1 1 49 49 LYS CB C 13 34.5300 0.05 . 1 . . . . . . . . 4911 1 536 . 1 1 49 49 LYS HB3 H 1 1.0700 0.02 . 1 . . . . . . . . 4911 1 537 . 1 1 49 49 LYS HB2 H 1 0.6900 0.02 . 1 . . . . . . . . 4911 1 538 . 1 1 49 49 LYS CG C 13 25.5100 0.05 . 1 . . . . . . . . 4911 1 539 . 1 1 49 49 LYS HG3 H 1 0.8900 0.02 . 1 . . . . . . . . 4911 1 540 . 1 1 49 49 LYS HG2 H 1 0.2500 0.02 . 1 . . . . . . . . 4911 1 541 . 1 1 49 49 LYS CD C 13 29.8100 0.05 . 1 . . . . . . . . 4911 1 542 . 1 1 49 49 LYS HD2 H 1 1.1000 0.02 . 1 . . . . . . . . 4911 1 543 . 1 1 49 49 LYS HD3 H 1 1.1800 0.02 . 1 . . . . . . . . 4911 1 544 . 1 1 49 49 LYS CE C 13 42.1000 0.05 . 1 . . . . . . . . 4911 1 545 . 1 1 49 49 LYS HE2 H 1 2.5100 0.02 . 1 . . . . . . . . 4911 1 546 . 1 1 49 49 LYS HE3 H 1 2.6000 0.02 . 1 . . . . . . . . 4911 1 547 . 1 1 50 50 TYR N N 15 115.7400 0.05 . 1 . . . . . . . . 4911 1 548 . 1 1 50 50 TYR H H 1 8.4640 0.02 . 1 . . . . . . . . 4911 1 549 . 1 1 50 50 TYR CA C 13 58.9000 0.05 . 1 . . . . . . . . 4911 1 550 . 1 1 50 50 TYR HA H 1 4.7930 0.02 . 1 . . . . . . . . 4911 1 551 . 1 1 50 50 TYR CB C 13 40.0100 0.05 . 1 . . . . . . . . 4911 1 552 . 1 1 50 50 TYR HB3 H 1 3.8800 0.02 . 1 . . . . . . . . 4911 1 553 . 1 1 50 50 TYR HB2 H 1 2.7200 0.02 . 1 . . . . . . . . 4911 1 554 . 1 1 50 50 TYR HD1 H 1 6.4800 0.02 . 1 . . . . . . . . 4911 1 555 . 1 1 50 50 TYR HD2 H 1 6.4800 0.02 . 1 . . . . . . . . 4911 1 556 . 1 1 50 50 TYR HE1 H 1 6.1900 0.02 . 1 . . . . . . . . 4911 1 557 . 1 1 50 50 TYR HE2 H 1 6.1900 0.02 . 1 . . . . . . . . 4911 1 558 . 1 1 51 51 ASN N N 15 112.9900 0.05 . 1 . . . . . . . . 4911 1 559 . 1 1 51 51 ASN H H 1 6.9200 0.02 . 1 . . . . . . . . 4911 1 560 . 1 1 51 51 ASN CA C 13 55.7900 0.05 . 1 . . . . . . . . 4911 1 561 . 1 1 51 51 ASN HA H 1 4.8980 0.02 . 1 . . . . . . . . 4911 1 562 . 1 1 51 51 ASN CB C 13 36.9100 0.05 . 1 . . . . . . . . 4911 1 563 . 1 1 51 51 ASN HB2 H 1 2.9000 0.02 . 1 . . . . . . . . 4911 1 564 . 1 1 51 51 ASN HB3 H 1 3.7600 0.02 . 1 . . . . . . . . 4911 1 565 . 1 1 51 51 ASN ND2 N 15 113.8100 0.05 . 1 . . . . . . . . 4911 1 566 . 1 1 51 51 ASN HD21 H 1 6.9700 0.02 . 1 . . . . . . . . 4911 1 567 . 1 1 51 51 ASN HD22 H 1 7.5700 0.02 . 1 . . . . . . . . 4911 1 568 . 1 1 52 52 PRO CA C 13 61.0400 0.05 . 1 . . . . . . . . 4911 1 569 . 1 1 52 52 PRO HA H 1 5.1900 0.02 . 1 . . . . . . . . 4911 1 570 . 1 1 52 52 PRO CB C 13 32.6900 0.05 . 1 . . . . . . . . 4911 1 571 . 1 1 52 52 PRO HB2 H 1 2.0130 0.02 . 1 . . . . . . . . 4911 1 572 . 1 1 52 52 PRO HB3 H 1 2.2050 0.02 . 1 . . . . . . . . 4911 1 573 . 1 1 52 52 PRO CG C 13 28.4500 0.05 . 1 . . . . . . . . 4911 1 574 . 1 1 52 52 PRO HG2 H 1 1.8500 0.02 . 1 . . . . . . . . 4911 1 575 . 1 1 52 52 PRO HG3 H 1 2.0100 0.02 . 1 . . . . . . . . 4911 1 576 . 1 1 52 52 PRO CD C 13 50.8000 0.05 . 1 . . . . . . . . 4911 1 577 . 1 1 52 52 PRO HD2 H 1 3.5500 0.02 . 1 . . . . . . . . 4911 1 578 . 1 1 52 52 PRO HD3 H 1 3.8700 0.02 . 1 . . . . . . . . 4911 1 579 . 1 1 53 53 THR N N 15 120.8400 0.05 . 1 . . . . . . . . 4911 1 580 . 1 1 53 53 THR H H 1 7.8700 0.02 . 1 . . . . . . . . 4911 1 581 . 1 1 53 53 THR CA C 13 65.8500 0.05 . 1 . . . . . . . . 4911 1 582 . 1 1 53 53 THR HA H 1 3.7600 0.02 . 1 . . . . . . . . 4911 1 583 . 1 1 53 53 THR CB C 13 69.8400 0.05 . 1 . . . . . . . . 4911 1 584 . 1 1 53 53 THR HB H 1 3.7900 0.02 . 1 . . . . . . . . 4911 1 585 . 1 1 53 53 THR CG2 C 13 23.3200 0.05 . 1 . . . . . . . . 4911 1 586 . 1 1 53 53 THR HG21 H 1 0.9000 0.02 . 1 . . . . . . . . 4911 1 587 . 1 1 53 53 THR HG22 H 1 0.9000 0.02 . 1 . . . . . . . . 4911 1 588 . 1 1 53 53 THR HG23 H 1 0.9000 0.02 . 1 . . . . . . . . 4911 1 589 . 1 1 54 54 TRP N N 15 127.6200 0.05 . 1 . . . . . . . . 4911 1 590 . 1 1 54 54 TRP H H 1 9.3400 0.02 . 1 . . . . . . . . 4911 1 591 . 1 1 54 54 TRP CA C 13 55.9200 0.05 . 1 . . . . . . . . 4911 1 592 . 1 1 54 54 TRP HA H 1 4.9300 0.02 . 1 . . . . . . . . 4911 1 593 . 1 1 54 54 TRP CB C 13 30.0800 0.05 . 1 . . . . . . . . 4911 1 594 . 1 1 54 54 TRP HB3 H 1 3.0100 0.02 . 1 . . . . . . . . 4911 1 595 . 1 1 54 54 TRP HB2 H 1 2.8800 0.02 . 1 . . . . . . . . 4911 1 596 . 1 1 54 54 TRP HD1 H 1 8.1300 0.02 . 1 . . . . . . . . 4911 1 597 . 1 1 54 54 TRP HE3 H 1 7.222 0.02 . 1 . . . . . . . . 4911 1 598 . 1 1 54 54 TRP HZ2 H 1 7.46 0.02 . 1 . . . . . . . . 4911 1 599 . 1 1 54 54 TRP HZ3 H 1 6.57 0.02 . 1 . . . . . . . . 4911 1 600 . 1 1 54 54 TRP HH2 H 1 7.3100 0.02 . 1 . . . . . . . . 4911 1 601 . 1 1 54 54 TRP NE1 N 15 130.7400 0.05 . 1 . . . . . . . . 4911 1 602 . 1 1 54 54 TRP HE1 H 1 9.1800 0.02 . 1 . . . . . . . . 4911 1 603 . 1 1 55 55 HIS N N 15 118.6100 0.05 . 1 . . . . . . . . 4911 1 604 . 1 1 55 55 HIS H H 1 8.4800 0.02 . 1 . . . . . . . . 4911 1 605 . 1 1 55 55 HIS CA C 13 55.4200 0.05 . 1 . . . . . . . . 4911 1 606 . 1 1 55 55 HIS HA H 1 4.7600 0.02 . 1 . . . . . . . . 4911 1 607 . 1 1 55 55 HIS CB C 13 35.0700 0.05 . 1 . . . . . . . . 4911 1 608 . 1 1 55 55 HIS HB3 H 1 2.5900 0.02 . 1 . . . . . . . . 4911 1 609 . 1 1 55 55 HIS HB2 H 1 1.6200 0.02 . 1 . . . . . . . . 4911 1 610 . 1 1 55 55 HIS HD2 H 1 5.9800 0.02 . 1 . . . . . . . . 4911 1 611 . 1 1 55 55 HIS HE1 H 1 8.4700 0.02 . 1 . . . . . . . . 4911 1 612 . 1 1 56 56 CYS N N 15 120.5600 0.05 . 1 . . . . . . . . 4911 1 613 . 1 1 56 56 CYS H H 1 8.3600 0.02 . 1 . . . . . . . . 4911 1 614 . 1 1 56 56 CYS CA C 13 57.4100 0.05 . 1 . . . . . . . . 4911 1 615 . 1 1 56 56 CYS HA H 1 5.8300 0.02 . 1 . . . . . . . . 4911 1 616 . 1 1 56 56 CYS CB C 13 31.0700 0.05 . 1 . . . . . . . . 4911 1 617 . 1 1 56 56 CYS HB2 H 1 2.5720 0.02 . 1 . . . . . . . . 4911 1 618 . 1 1 56 56 CYS HB3 H 1 2.8000 0.02 . 1 . . . . . . . . 4911 1 619 . 1 1 57 57 ILE N N 15 132.7700 0.05 . 1 . . . . . . . . 4911 1 620 . 1 1 57 57 ILE H H 1 9.4600 0.02 . 1 . . . . . . . . 4911 1 621 . 1 1 57 57 ILE CA C 13 60.7700 0.05 . 1 . . . . . . . . 4911 1 622 . 1 1 57 57 ILE HA H 1 4.6200 0.02 . 1 . . . . . . . . 4911 1 623 . 1 1 57 57 ILE CB C 13 40.5400 0.05 . 1 . . . . . . . . 4911 1 624 . 1 1 57 57 ILE HB H 1 1.7000 0.02 . 1 . . . . . . . . 4911 1 625 . 1 1 57 57 ILE CG1 C 13 30.2800 0.05 . 1 . . . . . . . . 4911 1 626 . 1 1 57 57 ILE HG12 H 1 1.2800 0.02 . 1 . . . . . . . . 4911 1 627 . 1 1 57 57 ILE HG13 H 1 1.2800 0.02 . 1 . . . . . . . . 4911 1 628 . 1 1 57 57 ILE CG2 C 13 19.5800 0.05 . 1 . . . . . . . . 4911 1 629 . 1 1 57 57 ILE HG21 H 1 -0.1300 0.02 . 1 . . . . . . . . 4911 1 630 . 1 1 57 57 ILE HG22 H 1 -0.1300 0.02 . 1 . . . . . . . . 4911 1 631 . 1 1 57 57 ILE HG23 H 1 -0.1300 0.02 . 1 . . . . . . . . 4911 1 632 . 1 1 57 57 ILE CD1 C 13 14.2800 0.05 . 1 . . . . . . . . 4911 1 633 . 1 1 57 57 ILE HD11 H 1 0.8500 0.02 . 1 . . . . . . . . 4911 1 634 . 1 1 57 57 ILE HD12 H 1 0.8500 0.02 . 1 . . . . . . . . 4911 1 635 . 1 1 57 57 ILE HD13 H 1 0.8500 0.02 . 1 . . . . . . . . 4911 1 636 . 1 1 58 58 VAL N N 15 126.3600 0.05 . 1 . . . . . . . . 4911 1 637 . 1 1 58 58 VAL H H 1 8.8300 0.02 . 1 . . . . . . . . 4911 1 638 . 1 1 58 58 VAL CA C 13 59.9000 0.05 . 1 . . . . . . . . 4911 1 639 . 1 1 58 58 VAL HA H 1 5.3810 0.02 . 1 . . . . . . . . 4911 1 640 . 1 1 58 58 VAL CB C 13 36.5400 0.05 . 1 . . . . . . . . 4911 1 641 . 1 1 58 58 VAL HB H 1 1.8300 0.02 . 1 . . . . . . . . 4911 1 642 . 1 1 58 58 VAL CG2 C 13 22.5800 0.05 . 1 . . . . . . . . 4911 1 643 . 1 1 58 58 VAL HG21 H 1 0.9000 0.02 . 1 . . . . . . . . 4911 1 644 . 1 1 58 58 VAL HG22 H 1 0.9000 0.02 . 1 . . . . . . . . 4911 1 645 . 1 1 58 58 VAL HG23 H 1 0.9000 0.02 . 1 . . . . . . . . 4911 1 646 . 1 1 58 58 VAL CG1 C 13 21.4700 0.05 . 1 . . . . . . . . 4911 1 647 . 1 1 58 58 VAL HG11 H 1 0.8340 0.02 . 1 . . . . . . . . 4911 1 648 . 1 1 58 58 VAL HG12 H 1 0.8340 0.02 . 1 . . . . . . . . 4911 1 649 . 1 1 58 58 VAL HG13 H 1 0.8340 0.02 . 1 . . . . . . . . 4911 1 650 . 1 1 59 59 GLY N N 15 111.9900 0.05 . 1 . . . . . . . . 4911 1 651 . 1 1 59 59 GLY H H 1 9.7500 0.02 . 1 . . . . . . . . 4911 1 652 . 1 1 59 59 GLY CA C 13 47.4700 0.05 . 1 . . . . . . . . 4911 1 653 . 1 1 59 59 GLY HA2 H 1 4.6300 0.02 . 1 . . . . . . . . 4911 1 654 . 1 1 59 59 GLY HA3 H 1 4.7200 0.02 . 1 . . . . . . . . 4911 1 655 . 1 1 60 60 ARG N N 15 116.8900 0.05 . 1 . . . . . . . . 4911 1 656 . 1 1 60 60 ARG H H 1 8.0200 0.02 . 1 . . . . . . . . 4911 1 657 . 1 1 60 60 ARG CA C 13 57.4100 0.05 . 1 . . . . . . . . 4911 1 658 . 1 1 60 60 ARG HA H 1 4.6670 0.02 . 1 . . . . . . . . 4911 1 659 . 1 1 60 60 ARG CB C 13 34.0700 0.05 . 1 . . . . . . . . 4911 1 660 . 1 1 60 60 ARG HB2 H 1 1.5720 0.02 . 1 . . . . . . . . 4911 1 661 . 1 1 60 60 ARG HB3 H 1 1.7300 0.02 . 1 . . . . . . . . 4911 1 662 . 1 1 60 60 ARG HG2 H 1 2.0300 0.02 . 1 . . . . . . . . 4911 1 663 . 1 1 60 60 ARG HG3 H 1 2.0300 0.02 . 1 . . . . . . . . 4911 1 664 . 1 1 60 60 ARG HD2 H 1 3.3180 0.02 . 1 . . . . . . . . 4911 1 665 . 1 1 61 61 ASN N N 15 116.8300 0.05 . 1 . . . . . . . . 4911 1 666 . 1 1 61 61 ASN H H 1 8.6720 0.02 . 1 . . . . . . . . 4911 1 667 . 1 1 61 61 ASN CA C 13 54.7300 0.05 . 1 . . . . . . . . 4911 1 668 . 1 1 61 61 ASN HA H 1 5.37 0.02 . 1 . . . . . . . . 4911 1 669 . 1 1 61 61 ASN CB C 13 41.9700 0.05 . 1 . . . . . . . . 4911 1 670 . 1 1 61 61 ASN HB2 H 1 2.8300 0.02 . 1 . . . . . . . . 4911 1 671 . 1 1 61 61 ASN HB3 H 1 2.9700 0.02 . 1 . . . . . . . . 4911 1 672 . 1 1 61 61 ASN ND2 N 15 114.0200 0.05 . 1 . . . . . . . . 4911 1 673 . 1 1 61 61 ASN HD21 H 1 7.1500 0.02 . 1 . . . . . . . . 4911 1 674 . 1 1 61 61 ASN HD22 H 1 7.7700 0.02 . 1 . . . . . . . . 4911 1 675 . 1 1 62 62 PHE N N 15 120.8900 0.05 . 1 . . . . . . . . 4911 1 676 . 1 1 62 62 PHE H H 1 8.0400 0.02 . 1 . . . . . . . . 4911 1 677 . 1 1 62 62 PHE CA C 13 57.9600 0.05 . 1 . . . . . . . . 4911 1 678 . 1 1 62 62 PHE HA H 1 5.24 0.02 . 1 . . . . . . . . 4911 1 679 . 1 1 62 62 PHE CB C 13 39.4800 0.05 . 1 . . . . . . . . 4911 1 680 . 1 1 62 62 PHE HB3 H 1 3.3900 0.02 . 1 . . . . . . . . 4911 1 681 . 1 1 62 62 PHE HB2 H 1 2.2400 0.02 . 1 . . . . . . . . 4911 1 682 . 1 1 62 62 PHE HD1 H 1 6.6200 0.02 . 1 . . . . . . . . 4911 1 683 . 1 1 62 62 PHE HD2 H 1 6.6200 0.02 . 1 . . . . . . . . 4911 1 684 . 1 1 62 62 PHE HE1 H 1 6.8700 0.02 . 1 . . . . . . . . 4911 1 685 . 1 1 62 62 PHE HE2 H 1 6.8700 0.02 . 1 . . . . . . . . 4911 1 686 . 1 1 62 62 PHE HZ H 1 6.7500 0.02 . 1 . . . . . . . . 4911 1 687 . 1 1 63 63 GLY N N 15 107.0200 0.05 . 1 . . . . . . . . 4911 1 688 . 1 1 63 63 GLY H H 1 9.6400 0.02 . 1 . . . . . . . . 4911 1 689 . 1 1 63 63 GLY CA C 13 44.3300 0.05 . 1 . . . . . . . . 4911 1 690 . 1 1 63 63 GLY HA3 H 1 4.9600 0.02 . 1 . . . . . . . . 4911 1 691 . 1 1 63 63 GLY HA2 H 1 3.5000 0.02 . 1 . . . . . . . . 4911 1 692 . 1 1 64 64 SER N N 15 113.8600 0.05 . 1 . . . . . . . . 4911 1 693 . 1 1 64 64 SER H H 1 9.1400 0.02 . 1 . . . . . . . . 4911 1 694 . 1 1 64 64 SER CA C 13 57.3400 0.05 . 1 . . . . . . . . 4911 1 695 . 1 1 64 64 SER HA H 1 5.4500 0.02 . 1 . . . . . . . . 4911 1 696 . 1 1 64 64 SER CB C 13 68.3900 0.05 . 1 . . . . . . . . 4911 1 697 . 1 1 64 64 SER HB2 H 1 3.6300 0.02 . 1 . . . . . . . . 4911 1 698 . 1 1 65 65 TYR N N 15 125.9600 0.05 . 1 . . . . . . . . 4911 1 699 . 1 1 65 65 TYR H H 1 8.8800 0.02 . 1 . . . . . . . . 4911 1 700 . 1 1 65 65 TYR CA C 13 60.8900 0.05 . 1 . . . . . . . . 4911 1 701 . 1 1 65 65 TYR HA H 1 4.9200 0.02 . 1 . . . . . . . . 4911 1 702 . 1 1 65 65 TYR CB C 13 41.0100 0.05 . 1 . . . . . . . . 4911 1 703 . 1 1 65 65 TYR HB2 H 1 2.6300 0.02 . 1 . . . . . . . . 4911 1 704 . 1 1 65 65 TYR HB3 H 1 2.7900 0.02 . 1 . . . . . . . . 4911 1 705 . 1 1 65 65 TYR HD1 H 1 6.7500 0.02 . 1 . . . . . . . . 4911 1 706 . 1 1 65 65 TYR HD2 H 1 6.7500 0.02 . 1 . . . . . . . . 4911 1 707 . 1 1 65 65 TYR HE1 H 1 6.57 0.02 . 1 . . . . . . . . 4911 1 708 . 1 1 65 65 TYR HE2 H 1 6.57 0.02 . 1 . . . . . . . . 4911 1 709 . 1 1 66 66 VAL N N 15 119.1000 0.05 . 1 . . . . . . . . 4911 1 710 . 1 1 66 66 VAL H H 1 7.8100 0.02 . 1 . . . . . . . . 4911 1 711 . 1 1 66 66 VAL CA C 13 57.9100 0.05 . 1 . . . . . . . . 4911 1 712 . 1 1 66 66 VAL HA H 1 5.0800 0.02 . 1 . . . . . . . . 4911 1 713 . 1 1 66 66 VAL CB C 13 34.9400 0.05 . 1 . . . . . . . . 4911 1 714 . 1 1 66 66 VAL HB H 1 2.1500 0.02 . 1 . . . . . . . . 4911 1 715 . 1 1 66 66 VAL CG2 C 13 20.8100 0.05 . 1 . . . . . . . . 4911 1 716 . 1 1 66 66 VAL HG21 H 1 0.6400 0.02 . 1 . . . . . . . . 4911 1 717 . 1 1 66 66 VAL HG22 H 1 0.6400 0.02 . 1 . . . . . . . . 4911 1 718 . 1 1 66 66 VAL HG23 H 1 0.6400 0.02 . 1 . . . . . . . . 4911 1 719 . 1 1 66 66 VAL CG1 C 13 16.5200 0.05 . 1 . . . . . . . . 4911 1 720 . 1 1 66 66 VAL HG11 H 1 -0.1000 0.02 . 1 . . . . . . . . 4911 1 721 . 1 1 66 66 VAL HG12 H 1 -0.1000 0.02 . 1 . . . . . . . . 4911 1 722 . 1 1 66 66 VAL HG13 H 1 -0.1000 0.02 . 1 . . . . . . . . 4911 1 723 . 1 1 67 67 THR N N 15 119.5400 0.05 . 1 . . . . . . . . 4911 1 724 . 1 1 67 67 THR H H 1 8.7050 0.02 . 1 . . . . . . . . 4911 1 725 . 1 1 67 67 THR CA C 13 61.8900 0.05 . 1 . . . . . . . . 4911 1 726 . 1 1 67 67 THR HA H 1 5.2200 0.02 . 1 . . . . . . . . 4911 1 727 . 1 1 67 67 THR CB C 13 71.3300 0.05 . 1 . . . . . . . . 4911 1 728 . 1 1 67 67 THR HB H 1 3.3700 0.02 . 1 . . . . . . . . 4911 1 729 . 1 1 67 67 THR CG2 C 13 23.4000 0.05 . 1 . . . . . . . . 4911 1 730 . 1 1 67 67 THR HG21 H 1 1.1300 0.02 . 1 . . . . . . . . 4911 1 731 . 1 1 67 67 THR HG22 H 1 1.1300 0.02 . 1 . . . . . . . . 4911 1 732 . 1 1 67 67 THR HG23 H 1 1.1300 0.02 . 1 . . . . . . . . 4911 1 733 . 1 1 68 68 HIS N N 15 118.3000 0.05 . 1 . . . . . . . . 4911 1 734 . 1 1 68 68 HIS H H 1 8.9440 0.02 . 1 . . . . . . . . 4911 1 735 . 1 1 68 68 HIS CA C 13 52.9400 0.05 . 1 . . . . . . . . 4911 1 736 . 1 1 68 68 HIS HA H 1 5.7100 0.02 . 1 . . . . . . . . 4911 1 737 . 1 1 68 68 HIS CB C 13 35.0500 0.05 . 1 . . . . . . . . 4911 1 738 . 1 1 68 68 HIS HB3 H 1 3.6230 0.02 . 1 . . . . . . . . 4911 1 739 . 1 1 68 68 HIS HB2 H 1 3.0350 0.02 . 1 . . . . . . . . 4911 1 740 . 1 1 68 68 HIS HD2 H 1 6.1300 0.02 . 1 . . . . . . . . 4911 1 741 . 1 1 68 68 HIS HE1 H 1 8.4300 0.02 . 1 . . . . . . . . 4911 1 742 . 1 1 69 69 GLU N N 15 120.0300 0.05 . 1 . . . . . . . . 4911 1 743 . 1 1 69 69 GLU H H 1 8.5700 0.02 . 1 . . . . . . . . 4911 1 744 . 1 1 69 69 GLU CA C 13 56.9200 0.05 . 1 . . . . . . . . 4911 1 745 . 1 1 69 69 GLU HA H 1 4.4730 0.02 . 1 . . . . . . . . 4911 1 746 . 1 1 69 69 GLU CB C 13 30.5800 0.05 . 1 . . . . . . . . 4911 1 747 . 1 1 69 69 GLU HB2 H 1 1.5500 0.02 . 1 . . . . . . . . 4911 1 748 . 1 1 69 69 GLU HB3 H 1 1.9300 0.02 . 1 . . . . . . . . 4911 1 749 . 1 1 69 69 GLU CG C 13 36.2100 0.05 . 1 . . . . . . . . 4911 1 750 . 1 1 69 69 GLU HG2 H 1 2.2500 0.02 . 1 . . . . . . . . 4911 1 751 . 1 1 69 69 GLU HG3 H 1 2.2500 0.02 . 1 . . . . . . . . 4911 1 752 . 1 1 70 70 THR N N 15 120.8700 0.05 . 1 . . . . . . . . 4911 1 753 . 1 1 70 70 THR H H 1 7.6100 0.05 . 1 . . . . . . . . 4911 1 754 . 1 1 70 70 THR CA C 13 65.3600 0.05 . 1 . . . . . . . . 4911 1 755 . 1 1 70 70 THR HA H 1 4.1500 0.02 . 1 . . . . . . . . 4911 1 756 . 1 1 70 70 THR CB C 13 69.3400 0.05 . 1 . . . . . . . . 4911 1 757 . 1 1 70 70 THR HB H 1 4.2600 0.02 . 1 . . . . . . . . 4911 1 758 . 1 1 70 70 THR CG2 C 13 23.3100 0.05 . 1 . . . . . . . . 4911 1 759 . 1 1 70 70 THR HG21 H 1 1.3700 0.02 . 1 . . . . . . . . 4911 1 760 . 1 1 70 70 THR HG22 H 1 1.3700 0.02 . 1 . . . . . . . . 4911 1 761 . 1 1 70 70 THR HG23 H 1 1.3700 0.02 . 1 . . . . . . . . 4911 1 762 . 1 1 71 71 LYS N N 15 125.1900 0.05 . 1 . . . . . . . . 4911 1 763 . 1 1 71 71 LYS H H 1 9.6690 0.02 . 1 . . . . . . . . 4911 1 764 . 1 1 71 71 LYS CA C 13 59.4200 0.05 . 1 . . . . . . . . 4911 1 765 . 1 1 71 71 LYS HA H 1 3.7300 0.02 . 1 . . . . . . . . 4911 1 766 . 1 1 71 71 LYS CB C 13 30.5800 0.05 . 1 . . . . . . . . 4911 1 767 . 1 1 71 71 LYS HB2 H 1 2.0100 0.02 . 1 . . . . . . . . 4911 1 768 . 1 1 71 71 LYS HB3 H 1 2.1200 0.02 . 1 . . . . . . . . 4911 1 769 . 1 1 71 71 LYS CG C 13 25.5200 0.05 . 1 . . . . . . . . 4911 1 770 . 1 1 71 71 LYS HG3 H 1 1.4500 0.02 . 1 . . . . . . . . 4911 1 771 . 1 1 71 71 LYS HG2 H 1 0.8800 0.02 . 1 . . . . . . . . 4911 1 772 . 1 1 71 71 LYS CD C 13 29.5800 0.05 . 1 . . . . . . . . 4911 1 773 . 1 1 71 71 LYS HD2 H 1 1.1600 0.02 . 1 . . . . . . . . 4911 1 774 . 1 1 71 71 LYS HD3 H 1 1.1600 0.02 . 1 . . . . . . . . 4911 1 775 . 1 1 71 71 LYS HE2 H 1 2.9700 0.02 . 1 . . . . . . . . 4911 1 776 . 1 1 71 71 LYS HE3 H 1 2.9700 0.02 . 1 . . . . . . . . 4911 1 777 . 1 1 72 72 HIS N N 15 116.4100 0.05 . 1 . . . . . . . . 4911 1 778 . 1 1 72 72 HIS H H 1 7.7770 0.02 . 1 . . . . . . . . 4911 1 779 . 1 1 72 72 HIS CA C 13 55.9200 0.05 . 1 . . . . . . . . 4911 1 780 . 1 1 72 72 HIS HA H 1 5.04 0.02 . 1 . . . . . . . . 4911 1 781 . 1 1 72 72 HIS CB C 13 30.5600 0.05 . 1 . . . . . . . . 4911 1 782 . 1 1 72 72 HIS HB3 H 1 3.1390 0.02 . 1 . . . . . . . . 4911 1 783 . 1 1 72 72 HIS HB2 H 1 2.8820 0.02 . 1 . . . . . . . . 4911 1 784 . 1 1 72 72 HIS HD2 H 1 7.15 0.02 . 1 . . . . . . . . 4911 1 785 . 1 1 72 72 HIS HE1 H 1 8.3800 0.02 . 1 . . . . . . . . 4911 1 786 . 1 1 73 73 PHE N N 15 122.1600 0.05 . 1 . . . . . . . . 4911 1 787 . 1 1 73 73 PHE H H 1 8.2300 0.02 . 1 . . . . . . . . 4911 1 788 . 1 1 73 73 PHE CA C 13 58.9000 0.05 . 1 . . . . . . . . 4911 1 789 . 1 1 73 73 PHE HA H 1 5.1700 0.02 . 1 . . . . . . . . 4911 1 790 . 1 1 73 73 PHE CB C 13 42.5000 0.05 . 1 . . . . . . . . 4911 1 791 . 1 1 73 73 PHE HB3 H 1 2.3400 0.02 . 1 . . . . . . . . 4911 1 792 . 1 1 73 73 PHE HB2 H 1 1.8800 0.02 . 1 . . . . . . . . 4911 1 793 . 1 1 73 73 PHE HE1 H 1 6.79 0.02 . 1 . . . . . . . . 4911 1 794 . 1 1 73 73 PHE HE2 H 1 6.79 0.02 . 1 . . . . . . . . 4911 1 795 . 1 1 73 73 PHE HD1 H 1 6.6000 0.02 . 1 . . . . . . . . 4911 1 796 . 1 1 73 73 PHE HD2 H 1 6.6000 0.02 . 1 . . . . . . . . 4911 1 797 . 1 1 74 74 ILE N N 15 129.2600 0.05 . 1 . . . . . . . . 4911 1 798 . 1 1 74 74 ILE H H 1 8.7100 0.02 . 1 . . . . . . . . 4911 1 799 . 1 1 74 74 ILE CA C 13 62.8800 0.05 . 1 . . . . . . . . 4911 1 800 . 1 1 74 74 ILE HA H 1 4.4700 0.02 . 1 . . . . . . . . 4911 1 801 . 1 1 74 74 ILE CB C 13 41.5100 0.05 . 1 . . . . . . . . 4911 1 802 . 1 1 74 74 ILE HB H 1 2.2600 0.02 . 1 . . . . . . . . 4911 1 803 . 1 1 74 74 ILE CG1 C 13 30.7500 0.05 . 1 . . . . . . . . 4911 1 804 . 1 1 74 74 ILE HG12 H 1 1.3200 0.02 . 1 . . . . . . . . 4911 1 805 . 1 1 74 74 ILE HG13 H 1 1.6200 0.02 . 1 . . . . . . . . 4911 1 806 . 1 1 74 74 ILE CG2 C 13 16.0300 0.05 . 1 . . . . . . . . 4911 1 807 . 1 1 74 74 ILE HG21 H 1 1.0000 0.02 . 1 . . . . . . . . 4911 1 808 . 1 1 74 74 ILE HG22 H 1 1.0000 0.02 . 1 . . . . . . . . 4911 1 809 . 1 1 74 74 ILE HG23 H 1 1.0000 0.02 . 1 . . . . . . . . 4911 1 810 . 1 1 74 74 ILE CD1 C 13 14.4700 0.05 . 1 . . . . . . . . 4911 1 811 . 1 1 74 74 ILE HD11 H 1 0.6800 0.02 . 1 . . . . . . . . 4911 1 812 . 1 1 74 74 ILE HD12 H 1 0.6800 0.02 . 1 . . . . . . . . 4911 1 813 . 1 1 74 74 ILE HD13 H 1 0.6800 0.02 . 1 . . . . . . . . 4911 1 814 . 1 1 75 75 TYR N N 15 126.7500 0.05 . 1 . . . . . . . . 4911 1 815 . 1 1 75 75 TYR H H 1 8.27 0.02 . 1 . . . . . . . . 4911 1 816 . 1 1 75 75 TYR CA C 13 54.4300 0.05 . 1 . . . . . . . . 4911 1 817 . 1 1 75 75 TYR HA H 1 6.1840 0.02 . 1 . . . . . . . . 4911 1 818 . 1 1 75 75 TYR CB C 13 41.5100 0.05 . 1 . . . . . . . . 4911 1 819 . 1 1 75 75 TYR HB2 H 1 3.1380 0.02 . 1 . . . . . . . . 4911 1 820 . 1 1 75 75 TYR HB3 H 1 2.9740 0.02 . 1 . . . . . . . . 4911 1 821 . 1 1 75 75 TYR HD1 H 1 7.08 0.02 . 1 . . . . . . . . 4911 1 822 . 1 1 75 75 TYR HD2 H 1 7.08 0.02 . 1 . . . . . . . . 4911 1 823 . 1 1 75 75 TYR HE1 H 1 6.5700 0.02 . 1 . . . . . . . . 4911 1 824 . 1 1 75 75 TYR HE2 H 1 6.5700 0.02 . 1 . . . . . . . . 4911 1 825 . 1 1 76 76 PHE N N 15 125.3900 0.05 . 1 . . . . . . . . 4911 1 826 . 1 1 76 76 PHE H H 1 9.4000 0.02 . 1 . . . . . . . . 4911 1 827 . 1 1 76 76 PHE CA C 13 55.4200 0.05 . 1 . . . . . . . . 4911 1 828 . 1 1 76 76 PHE HA H 1 4.9430 0.02 . 1 . . . . . . . . 4911 1 829 . 1 1 76 76 PHE CB C 13 43.5000 0.05 . 1 . . . . . . . . 4911 1 830 . 1 1 76 76 PHE HB2 H 1 2.9100 0.02 . 1 . . . . . . . . 4911 1 831 . 1 1 76 76 PHE HB3 H 1 3.1300 0.02 . 1 . . . . . . . . 4911 1 832 . 1 1 76 76 PHE HE1 H 1 6.6100 0.02 . 1 . . . . . . . . 4911 1 833 . 1 1 76 76 PHE HE2 H 1 6.6100 0.02 . 1 . . . . . . . . 4911 1 834 . 1 1 76 76 PHE HZ H 1 6.8900 0.02 . 1 . . . . . . . . 4911 1 835 . 1 1 76 76 PHE HD1 H 1 6.9900 0.02 . 1 . . . . . . . . 4911 1 836 . 1 1 76 76 PHE HD2 H 1 6.9900 0.02 . 1 . . . . . . . . 4911 1 837 . 1 1 77 77 TYR N N 15 119.2300 0.05 . 1 . . . . . . . . 4911 1 838 . 1 1 77 77 TYR H H 1 9.1380 0.02 . 1 . . . . . . . . 4911 1 839 . 1 1 77 77 TYR CA C 13 54.4300 0.05 . 1 . . . . . . . . 4911 1 840 . 1 1 77 77 TYR HA H 1 5.4100 0.02 . 1 . . . . . . . . 4911 1 841 . 1 1 77 77 TYR CB C 13 40.4900 0.05 . 1 . . . . . . . . 4911 1 842 . 1 1 77 77 TYR HB3 H 1 3.0600 0.02 . 1 . . . . . . . . 4911 1 843 . 1 1 77 77 TYR HB2 H 1 2.9800 0.02 . 1 . . . . . . . . 4911 1 844 . 1 1 77 77 TYR HD1 H 1 6.8700 0.02 . 1 . . . . . . . . 4911 1 845 . 1 1 77 77 TYR HD2 H 1 6.8700 0.02 . 1 . . . . . . . . 4911 1 846 . 1 1 77 77 TYR HE1 H 1 6.9100 0.02 . 1 . . . . . . . . 4911 1 847 . 1 1 77 77 TYR HE2 H 1 6.9100 0.02 . 1 . . . . . . . . 4911 1 848 . 1 1 78 78 LEU N N 15 122.6900 0.05 . 1 . . . . . . . . 4911 1 849 . 1 1 78 78 LEU H H 1 8.388 0.02 . 1 . . . . . . . . 4911 1 850 . 1 1 78 78 LEU CA C 13 54.4200 0.05 . 1 . . . . . . . . 4911 1 851 . 1 1 78 78 LEU HA H 1 4.6260 0.02 . 1 . . . . . . . . 4911 1 852 . 1 1 78 78 LEU CB C 13 45.0100 0.05 . 1 . . . . . . . . 4911 1 853 . 1 1 78 78 LEU HB2 H 1 1.3400 0.02 . 1 . . . . . . . . 4911 1 854 . 1 1 78 78 LEU HB3 H 1 1.4700 0.02 . 1 . . . . . . . . 4911 1 855 . 1 1 78 78 LEU HG H 1 1.6250 0.02 . 1 . . . . . . . . 4911 1 856 . 1 1 78 78 LEU CD2 C 13 27.7500 0.05 . 1 . . . . . . . . 4911 1 857 . 1 1 78 78 LEU HD21 H 1 0.8400 0.02 . 1 . . . . . . . . 4911 1 858 . 1 1 78 78 LEU HD22 H 1 0.8400 0.02 . 1 . . . . . . . . 4911 1 859 . 1 1 78 78 LEU HD23 H 1 0.8400 0.02 . 1 . . . . . . . . 4911 1 860 . 1 1 78 78 LEU CD1 C 13 24.5200 0.05 . 1 . . . . . . . . 4911 1 861 . 1 1 78 78 LEU HD11 H 1 0.9000 0.02 . 1 . . . . . . . . 4911 1 862 . 1 1 78 78 LEU HD12 H 1 0.9000 0.02 . 1 . . . . . . . . 4911 1 863 . 1 1 78 78 LEU HD13 H 1 0.9000 0.02 . 1 . . . . . . . . 4911 1 864 . 1 1 79 79 GLY N N 15 113.9600 0.05 . 1 . . . . . . . . 4911 1 865 . 1 1 79 79 GLY H H 1 8.733 0.02 . 1 . . . . . . . . 4911 1 866 . 1 1 79 79 GLY CA C 13 47.4800 0.05 . 1 . . . . . . . . 4911 1 867 . 1 1 79 79 GLY HA3 H 1 3.9650 0.02 . 1 . . . . . . . . 4911 1 868 . 1 1 79 79 GLY HA2 H 1 3.7320 0.02 . 1 . . . . . . . . 4911 1 869 . 1 1 80 80 GLN N N 15 124.8600 0.05 . 1 . . . . . . . . 4911 1 870 . 1 1 80 80 GLN H H 1 9.0900 0.02 . 1 . . . . . . . . 4911 1 871 . 1 1 80 80 GLN CA C 13 56.3700 0.05 . 1 . . . . . . . . 4911 1 872 . 1 1 80 80 GLN HA H 1 4.3200 0.02 . 1 . . . . . . . . 4911 1 873 . 1 1 80 80 GLN CB C 13 29.8000 0.05 . 1 . . . . . . . . 4911 1 874 . 1 1 80 80 GLN HB2 H 1 2.0000 0.02 . 1 . . . . . . . . 4911 1 875 . 1 1 80 80 GLN HB3 H 1 2.3300 0.02 . 1 . . . . . . . . 4911 1 876 . 1 1 80 80 GLN CG C 13 34.4100 0.05 . 1 . . . . . . . . 4911 1 877 . 1 1 80 80 GLN HG2 H 1 2.3800 0.02 . 1 . . . . . . . . 4911 1 878 . 1 1 80 80 GLN HG3 H 1 2.3800 0.02 . 1 . . . . . . . . 4911 1 879 . 1 1 80 80 GLN NE2 N 15 112.4600 0.05 . 1 . . . . . . . . 4911 1 880 . 1 1 80 80 GLN HE21 H 1 6.7000 0.02 . 1 . . . . . . . . 4911 1 881 . 1 1 80 80 GLN HE22 H 1 7.6200 0.02 . 1 . . . . . . . . 4911 1 882 . 1 1 81 81 VAL N N 15 111.5700 0.05 . 1 . . . . . . . . 4911 1 883 . 1 1 81 81 VAL H H 1 7.6900 0.02 . 1 . . . . . . . . 4911 1 884 . 1 1 81 81 VAL CA C 13 60.5600 0.05 . 1 . . . . . . . . 4911 1 885 . 1 1 81 81 VAL HA H 1 4.4700 0.02 . 1 . . . . . . . . 4911 1 886 . 1 1 81 81 VAL CB C 13 36.2000 0.05 . 1 . . . . . . . . 4911 1 887 . 1 1 81 81 VAL HB H 1 2.0900 0.02 . 1 . . . . . . . . 4911 1 888 . 1 1 81 81 VAL CG1 C 13 22.3800 0.05 . 1 . . . . . . . . 4911 1 889 . 1 1 81 81 VAL HG11 H 1 0.8400 0.02 . 1 . . . . . . . . 4911 1 890 . 1 1 81 81 VAL HG12 H 1 0.8400 0.02 . 1 . . . . . . . . 4911 1 891 . 1 1 81 81 VAL HG13 H 1 0.8400 0.02 . 1 . . . . . . . . 4911 1 892 . 1 1 81 81 VAL CG2 C 13 19.5800 0.05 . 1 . . . . . . . . 4911 1 893 . 1 1 81 81 VAL HG21 H 1 0.8700 0.02 . 1 . . . . . . . . 4911 1 894 . 1 1 81 81 VAL HG22 H 1 0.8700 0.02 . 1 . . . . . . . . 4911 1 895 . 1 1 81 81 VAL HG23 H 1 0.8700 0.02 . 1 . . . . . . . . 4911 1 896 . 1 1 82 82 ALA N N 15 124.5700 0.05 . 1 . . . . . . . . 4911 1 897 . 1 1 82 82 ALA H H 1 8.5800 0.02 . 1 . . . . . . . . 4911 1 898 . 1 1 82 82 ALA CA C 13 51.0600 0.05 . 1 . . . . . . . . 4911 1 899 . 1 1 82 82 ALA HA H 1 5.0500 0.02 . 1 . . . . . . . . 4911 1 900 . 1 1 82 82 ALA CB C 13 23.6200 0.05 . 1 . . . . . . . . 4911 1 901 . 1 1 82 82 ALA HB1 H 1 1.5400 0.02 . 1 . . . . . . . . 4911 1 902 . 1 1 82 82 ALA HB2 H 1 1.5400 0.02 . 1 . . . . . . . . 4911 1 903 . 1 1 82 82 ALA HB3 H 1 1.5400 0.02 . 1 . . . . . . . . 4911 1 904 . 1 1 83 83 ILE N N 15 120.8000 0.05 . 1 . . . . . . . . 4911 1 905 . 1 1 83 83 ILE H H 1 9.1800 0.02 . 1 . . . . . . . . 4911 1 906 . 1 1 83 83 ILE CA C 13 61.8900 0.05 . 1 . . . . . . . . 4911 1 907 . 1 1 83 83 ILE HA H 1 4.7000 0.02 . 1 . . . . . . . . 4911 1 908 . 1 1 83 83 ILE CB C 13 40.0200 0.05 . 1 . . . . . . . . 4911 1 909 . 1 1 83 83 ILE HB H 1 0.2300 0.02 . 1 . . . . . . . . 4911 1 910 . 1 1 83 83 ILE CG1 C 13 29.2100 0.05 . 1 . . . . . . . . 4911 1 911 . 1 1 83 83 ILE HG13 H 1 1.1500 0.02 . 1 . . . . . . . . 4911 1 912 . 1 1 83 83 ILE HG12 H 1 0.7600 0.02 . 1 . . . . . . . . 4911 1 913 . 1 1 83 83 ILE CG2 C 13 19.2100 0.05 . 1 . . . . . . . . 4911 1 914 . 1 1 83 83 ILE HG21 H 1 0.3700 0.02 . 1 . . . . . . . . 4911 1 915 . 1 1 83 83 ILE HG22 H 1 0.3700 0.02 . 1 . . . . . . . . 4911 1 916 . 1 1 83 83 ILE HG23 H 1 0.3700 0.02 . 1 . . . . . . . . 4911 1 917 . 1 1 83 83 ILE CD1 C 13 15.3900 0.05 . 1 . . . . . . . . 4911 1 918 . 1 1 83 83 ILE HD11 H 1 0.4300 0.02 . 1 . . . . . . . . 4911 1 919 . 1 1 83 83 ILE HD12 H 1 0.4300 0.02 . 1 . . . . . . . . 4911 1 920 . 1 1 83 83 ILE HD13 H 1 0.4300 0.02 . 1 . . . . . . . . 4911 1 921 . 1 1 84 84 LEU N N 15 128.9600 0.05 . 1 . . . . . . . . 4911 1 922 . 1 1 84 84 LEU H H 1 9.3800 0.02 . 1 . . . . . . . . 4911 1 923 . 1 1 84 84 LEU CA C 13 53.9800 0.05 . 1 . . . . . . . . 4911 1 924 . 1 1 84 84 LEU HA H 1 5.3100 0.02 . 1 . . . . . . . . 4911 1 925 . 1 1 84 84 LEU CB C 13 45.9800 0.05 . 1 . . . . . . . . 4911 1 926 . 1 1 84 84 LEU HB2 H 1 1.3730 0.02 . 1 . . . . . . . . 4911 1 927 . 1 1 84 84 LEU HB3 H 1 2.0800 0.02 . 1 . . . . . . . . 4911 1 928 . 1 1 84 84 LEU HG H 1 1.7000 0.02 . 1 . . . . . . . . 4911 1 929 . 1 1 84 84 LEU CD1 C 13 26.1400 0.05 . 1 . . . . . . . . 4911 1 930 . 1 1 84 84 LEU HD11 H 1 0.8350 0.02 . 1 . . . . . . . . 4911 1 931 . 1 1 84 84 LEU HD12 H 1 0.8350 0.02 . 1 . . . . . . . . 4911 1 932 . 1 1 84 84 LEU HD13 H 1 0.8350 0.02 . 1 . . . . . . . . 4911 1 933 . 1 1 84 84 LEU CD2 C 13 27.0300 0.05 . 1 . . . . . . . . 4911 1 934 . 1 1 84 84 LEU HD21 H 1 0.9100 0.02 . 1 . . . . . . . . 4911 1 935 . 1 1 84 84 LEU HD22 H 1 0.9100 0.02 . 1 . . . . . . . . 4911 1 936 . 1 1 84 84 LEU HD23 H 1 0.9100 0.02 . 1 . . . . . . . . 4911 1 937 . 1 1 85 85 LEU N N 15 130.5500 0.05 . 1 . . . . . . . . 4911 1 938 . 1 1 85 85 LEU H H 1 8.8700 0.02 . 1 . . . . . . . . 4911 1 939 . 1 1 85 85 LEU CA C 13 54.4300 0.05 . 1 . . . . . . . . 4911 1 940 . 1 1 85 85 LEU HA H 1 5.5600 0.02 . 1 . . . . . . . . 4911 1 941 . 1 1 85 85 LEU CB C 13 46.9800 0.05 . 1 . . . . . . . . 4911 1 942 . 1 1 85 85 LEU HB2 H 1 1.03 0.02 . 1 . . . . . . . . 4911 1 943 . 1 1 85 85 LEU HB3 H 1 1.8500 0.02 . 1 . . . . . . . . 4911 1 944 . 1 1 85 85 LEU CG C 13 27.7200 0.05 . 1 . . . . . . . . 4911 1 945 . 1 1 85 85 LEU HG H 1 1.3600 0.02 . 1 . . . . . . . . 4911 1 946 . 1 1 85 85 LEU CD1 C 13 23.0600 0.05 . 1 . . . . . . . . 4911 1 947 . 1 1 85 85 LEU HD11 H 1 0.7200 0.02 . 1 . . . . . . . . 4911 1 948 . 1 1 85 85 LEU HD12 H 1 0.7200 0.02 . 1 . . . . . . . . 4911 1 949 . 1 1 85 85 LEU HD13 H 1 0.7200 0.02 . 1 . . . . . . . . 4911 1 950 . 1 1 85 85 LEU CD2 C 13 24.1200 0.05 . 1 . . . . . . . . 4911 1 951 . 1 1 85 85 LEU HD21 H 1 -0.4600 0.02 . 1 . . . . . . . . 4911 1 952 . 1 1 85 85 LEU HD22 H 1 -0.4600 0.02 . 1 . . . . . . . . 4911 1 953 . 1 1 85 85 LEU HD23 H 1 -0.4600 0.02 . 1 . . . . . . . . 4911 1 954 . 1 1 86 86 PHE N N 15 120.9800 0.05 . 1 . . . . . . . . 4911 1 955 . 1 1 86 86 PHE H H 1 8.6500 0.02 . 1 . . . . . . . . 4911 1 956 . 1 1 86 86 PHE CA C 13 56.4200 0.05 . 1 . . . . . . . . 4911 1 957 . 1 1 86 86 PHE HA H 1 5.7180 0.02 . 1 . . . . . . . . 4911 1 958 . 1 1 86 86 PHE CB C 13 42.5000 0.05 . 1 . . . . . . . . 4911 1 959 . 1 1 86 86 PHE HB2 H 1 3.3000 0.02 . 1 . . . . . . . . 4911 1 960 . 1 1 86 86 PHE HB3 H 1 3.3000 0.02 . 1 . . . . . . . . 4911 1 961 . 1 1 86 86 PHE HE1 H 1 6.5700 0.02 . 1 . . . . . . . . 4911 1 962 . 1 1 86 86 PHE HE2 H 1 6.5700 0.02 . 1 . . . . . . . . 4911 1 963 . 1 1 86 86 PHE HD1 H 1 6.8800 0.02 . 1 . . . . . . . . 4911 1 964 . 1 1 86 86 PHE HD2 H 1 6.8800 0.02 . 1 . . . . . . . . 4911 1 965 . 1 1 86 86 PHE HZ H 1 7.2300 0.02 . 1 . . . . . . . . 4911 1 966 . 1 1 87 87 LYS N N 15 123.1200 0.05 . 1 . . . . . . . . 4911 1 967 . 1 1 87 87 LYS H H 1 7.4840 0.02 . 1 . . . . . . . . 4911 1 968 . 1 1 87 87 LYS CA C 13 54.4300 0.05 . 1 . . . . . . . . 4911 1 969 . 1 1 87 87 LYS HA H 1 4.5600 0.02 . 1 . . . . . . . . 4911 1 970 . 1 1 87 87 LYS CB C 13 37.4100 0.05 . 1 . . . . . . . . 4911 1 971 . 1 1 87 87 LYS HB3 H 1 0.9000 0.02 . 1 . . . . . . . . 4911 1 972 . 1 1 87 87 LYS HB2 H 1 -0.8400 0.02 . 1 . . . . . . . . 4911 1 973 . 1 1 87 87 LYS HG2 H 1 0.1400 0.02 . 1 . . . . . . . . 4911 1 974 . 1 1 87 87 LYS HD2 H 1 0.7300 0.02 . 1 . . . . . . . . 4911 1 975 . 1 1 87 87 LYS HE2 H 1 2.525 0.02 . 1 . . . . . . . . 4911 1 976 . 1 1 87 87 LYS HE3 H 1 2.656 0.02 . 1 . . . . . . . . 4911 1 977 . 1 1 88 88 SER N N 15 119.9500 0.05 . 1 . . . . . . . . 4911 1 978 . 1 1 88 88 SER H H 1 8.3700 0.02 . 1 . . . . . . . . 4911 1 979 . 1 1 88 88 SER CA C 13 60.3900 0.05 . 1 . . . . . . . . 4911 1 980 . 1 1 88 88 SER HA H 1 4.6250 0.02 . 1 . . . . . . . . 4911 1 981 . 1 1 88 88 SER CB C 13 65.3600 0.05 . 1 . . . . . . . . 4911 1 982 . 1 1 88 88 SER HB2 H 1 3.6900 0.02 . 1 . . . . . . . . 4911 1 983 . 1 1 88 88 SER HB3 H 1 3.6900 0.02 . 1 . . . . . . . . 4911 1 984 . 1 1 89 89 GLY N N 15 123.6000 0.05 . 1 . . . . . . . . 4911 1 985 . 1 1 89 89 GLY H H 1 8.6580 0.02 . 1 . . . . . . . . 4911 1 986 . 1 1 89 89 GLY CA C 13 46.5200 0.05 . 1 . . . . . . . . 4911 1 987 . 1 1 89 89 GLY HA3 H 1 3.9100 0.02 . 1 . . . . . . . . 4911 1 988 . 1 1 89 89 GLY HA2 H 1 3.6200 0.02 . 1 . . . . . . . . 4911 1 stop_ save_