data_4819 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4819 _Entry.Title ; High precision NMR structure of YhhP, a novel Esherichia coli protein implicated in the cell division ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-09-05 _Entry.Accession_date 2000-09-05 _Entry.Last_release_date . _Entry.Original_release_date . _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 Etsuko Katoh . . . 4819 2 Tomohisa Hatta . . . 4819 3 Heisaburo Shindo . . . 4819 4 H. Yamada . . . 4819 5 T. Mizuno . . . 4819 6 Toshimasa Yamazaki . . . 4819 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4819 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 379 4819 '15N chemical shifts' 72 4819 '1H chemical shifts' 565 4819 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 2 . . 2012-12-07 2000-09-05 update BMRB 'delete outlier: 68 THR N 11.74' 4819 1 . . 2000-12-21 2000-09-05 original author 'original release' 4819 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4819 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20534887 _Citation.DOI . _Citation.PubMed_ID 11080457 _Citation.Full_citation . _Citation.Title ; High precision NMR structure of YhhP, a novel escherichia coli protein implicated in cell division ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 304 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 219 _Citation.Page_last 229 _Citation.Year 2000 _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 Etsuko Katoh . . . 4819 1 2 Tomohisa Hatta . . . 4819 1 3 Heisaburo Shindo . . . 4819 1 4 H. Yamada . . . 4819 1 5 T. Mizuno . . . 4819 1 6 Toshimasa Yamazaki . . . 4819 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Yhh _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Yhh _Assembly.Entry_ID 4819 _Assembly.ID 1 _Assembly.Name 'Yhh monomer' _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 'not reported' _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 monomer 4819 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 'Yhh monomer' 1 $Yhh_monomer . . . native . . . . . 4819 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Yhh abbreviation 4819 1 'Yhh monomer' system 4819 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Yhh_monomer _Entity.Sf_category entity _Entity.Sf_framecode Yhh_monomer _Entity.Entry_ID 4819 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Yhh _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 ; MTDLFSSPDHTLDALGLRCP EPVMMVRKTVRNMQPGETLL IIADDPATTRDIPGFCTFME HELVAKETDGLPYRYLIRKG G ; _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 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1DCJ . "Solution Structure Of Yhhp, A Novel Escherichia Coli Protein Implicated In The Cell Division" . . . . . 100.00 81 100.00 100.00 1.41e-51 . . . . 4819 1 2 no PDB 3LVJ . "Crystal Structure Of E.Coli Iscs-Tusa Complex (Form 1)" . . . . . 98.77 82 100.00 100.00 6.84e-51 . . . . 4819 1 3 no PDB 3LVK . "Crystal Structure Of E.Coli Iscs-Tusa Complex (Form 2)" . . . . . 98.77 82 100.00 100.00 6.84e-51 . . . . 4819 1 4 no DBJ BAB37742 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 81 100.00 100.00 1.41e-51 . . . . 4819 1 5 no DBJ BAE77823 . "conserved hypothetical protein required for cell growth [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 81 100.00 100.00 1.41e-51 . . . . 4819 1 6 no DBJ BAG79262 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 100.00 81 100.00 100.00 1.41e-51 . . . . 4819 1 7 no DBJ BAI27727 . "conserved hypothetical protein [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 81 100.00 100.00 1.41e-51 . . . . 4819 1 8 no DBJ BAI32898 . "conserved hypothetical protein [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 81 100.00 100.00 1.41e-51 . . . . 4819 1 9 no EMBL CAP77921 . "Sulfurtransferase tusA [Escherichia coli LF82]" . . . . . 100.00 81 100.00 100.00 1.41e-51 . . . . 4819 1 10 no EMBL CAQ33789 . "sulfur transfer protein [Escherichia coli BL21(DE3)]" . . . . . 100.00 81 100.00 100.00 1.41e-51 . . . . 4819 1 11 no EMBL CAQ90921 . "sulfurtransferase [Escherichia fergusonii ATCC 35469]" . . . . . 98.77 81 100.00 100.00 1.12e-50 . . . . 4819 1 12 no EMBL CAR00415 . "sulfurtransferase [Escherichia coli IAI1]" . . . . . 100.00 81 100.00 100.00 1.41e-51 . . . . 4819 1 13 no EMBL CAR05085 . "sulfurtransferase [Escherichia coli S88]" . . . . . 100.00 81 100.00 100.00 1.41e-51 . . . . 4819 1 14 no GB AAB18445 . "unnamed protein product [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 81 100.00 100.00 1.41e-51 . . . . 4819 1 15 no GB AAC76495 . "mnm(5)-s(2)U34-tRNA 2-thiolation sulfurtransferase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 81 100.00 100.00 1.41e-51 . . . . 4819 1 16 no GB AAG58579 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 81 100.00 100.00 1.41e-51 . . . . 4819 1 17 no GB AAN44947 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 81 100.00 100.00 1.41e-51 . . . . 4819 1 18 no GB AAN82699 . "SirA protein [Escherichia coli CFT073]" . . . . . 100.00 81 100.00 100.00 1.41e-51 . . . . 4819 1 19 no REF NP_290018 . "sulfur transfer protein SirA [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 81 100.00 100.00 1.41e-51 . . . . 4819 1 20 no REF NP_312346 . "sulfur transfer protein SirA [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 81 100.00 100.00 1.41e-51 . . . . 4819 1 21 no REF NP_417927 . "mnm(5)-s(2)U34-tRNA 2-thiolation sulfurtransferase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 81 100.00 100.00 1.41e-51 . . . . 4819 1 22 no REF NP_709240 . "sulfur transfer protein SirA [Shigella flexneri 2a str. 301]" . . . . . 100.00 81 100.00 100.00 1.41e-51 . . . . 4819 1 23 no REF NP_756125 . "sulfur transfer protein SirA [Escherichia coli CFT073]" . . . . . 100.00 81 100.00 100.00 1.41e-51 . . . . 4819 1 24 no SP A7ZT06 . "RecName: Full=Sulfurtransferase TusA; AltName: Full=tRNA 2-thiouridine synthesizing protein A [Escherichia coli E24377A]" . . . . . 100.00 81 100.00 100.00 1.41e-51 . . . . 4819 1 25 no SP A8A5S8 . "RecName: Full=Sulfurtransferase TusA; AltName: Full=tRNA 2-thiouridine synthesizing protein A [Escherichia coli HS]" . . . . . 100.00 81 100.00 100.00 1.41e-51 . . . . 4819 1 26 no SP B1J0G0 . "RecName: Full=Sulfurtransferase TusA; AltName: Full=tRNA 2-thiouridine synthesizing protein A [Escherichia coli ATCC 8739]" . . . . . 100.00 81 100.00 100.00 1.41e-51 . . . . 4819 1 27 no SP B1LID3 . "RecName: Full=Sulfurtransferase TusA; AltName: Full=tRNA 2-thiouridine synthesizing protein A [Escherichia coli SMS-3-5]" . . . . . 100.00 81 98.77 98.77 6.36e-51 . . . . 4819 1 28 no SP B1X7S8 . "RecName: Full=Sulfurtransferase TusA; AltName: Full=tRNA 2-thiouridine synthesizing protein A [Escherichia coli str. K-12 subst" . . . . . 100.00 81 100.00 100.00 1.41e-51 . . . . 4819 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Yhh abbreviation 4819 1 Yhh common 4819 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 . 4819 1 2 . THR . 4819 1 3 . ASP . 4819 1 4 . LEU . 4819 1 5 . PHE . 4819 1 6 . SER . 4819 1 7 . SER . 4819 1 8 . PRO . 4819 1 9 . ASP . 4819 1 10 . HIS . 4819 1 11 . THR . 4819 1 12 . LEU . 4819 1 13 . ASP . 4819 1 14 . ALA . 4819 1 15 . LEU . 4819 1 16 . GLY . 4819 1 17 . LEU . 4819 1 18 . ARG . 4819 1 19 . CYS . 4819 1 20 . PRO . 4819 1 21 . GLU . 4819 1 22 . PRO . 4819 1 23 . VAL . 4819 1 24 . MET . 4819 1 25 . MET . 4819 1 26 . VAL . 4819 1 27 . ARG . 4819 1 28 . LYS . 4819 1 29 . THR . 4819 1 30 . VAL . 4819 1 31 . ARG . 4819 1 32 . ASN . 4819 1 33 . MET . 4819 1 34 . GLN . 4819 1 35 . PRO . 4819 1 36 . GLY . 4819 1 37 . GLU . 4819 1 38 . THR . 4819 1 39 . LEU . 4819 1 40 . LEU . 4819 1 41 . ILE . 4819 1 42 . ILE . 4819 1 43 . ALA . 4819 1 44 . ASP . 4819 1 45 . ASP . 4819 1 46 . PRO . 4819 1 47 . ALA . 4819 1 48 . THR . 4819 1 49 . THR . 4819 1 50 . ARG . 4819 1 51 . ASP . 4819 1 52 . ILE . 4819 1 53 . PRO . 4819 1 54 . GLY . 4819 1 55 . PHE . 4819 1 56 . CYS . 4819 1 57 . THR . 4819 1 58 . PHE . 4819 1 59 . MET . 4819 1 60 . GLU . 4819 1 61 . HIS . 4819 1 62 . GLU . 4819 1 63 . LEU . 4819 1 64 . VAL . 4819 1 65 . ALA . 4819 1 66 . LYS . 4819 1 67 . GLU . 4819 1 68 . THR . 4819 1 69 . ASP . 4819 1 70 . GLY . 4819 1 71 . LEU . 4819 1 72 . PRO . 4819 1 73 . TYR . 4819 1 74 . ARG . 4819 1 75 . TYR . 4819 1 76 . LEU . 4819 1 77 . ILE . 4819 1 78 . ARG . 4819 1 79 . LYS . 4819 1 80 . GLY . 4819 1 81 . GLY . 4819 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 4819 1 . THR 2 2 4819 1 . ASP 3 3 4819 1 . LEU 4 4 4819 1 . PHE 5 5 4819 1 . SER 6 6 4819 1 . SER 7 7 4819 1 . PRO 8 8 4819 1 . ASP 9 9 4819 1 . HIS 10 10 4819 1 . THR 11 11 4819 1 . LEU 12 12 4819 1 . ASP 13 13 4819 1 . ALA 14 14 4819 1 . LEU 15 15 4819 1 . GLY 16 16 4819 1 . LEU 17 17 4819 1 . ARG 18 18 4819 1 . CYS 19 19 4819 1 . PRO 20 20 4819 1 . GLU 21 21 4819 1 . PRO 22 22 4819 1 . VAL 23 23 4819 1 . MET 24 24 4819 1 . MET 25 25 4819 1 . VAL 26 26 4819 1 . ARG 27 27 4819 1 . LYS 28 28 4819 1 . THR 29 29 4819 1 . VAL 30 30 4819 1 . ARG 31 31 4819 1 . ASN 32 32 4819 1 . MET 33 33 4819 1 . GLN 34 34 4819 1 . PRO 35 35 4819 1 . GLY 36 36 4819 1 . GLU 37 37 4819 1 . THR 38 38 4819 1 . LEU 39 39 4819 1 . LEU 40 40 4819 1 . ILE 41 41 4819 1 . ILE 42 42 4819 1 . ALA 43 43 4819 1 . ASP 44 44 4819 1 . ASP 45 45 4819 1 . PRO 46 46 4819 1 . ALA 47 47 4819 1 . THR 48 48 4819 1 . THR 49 49 4819 1 . ARG 50 50 4819 1 . ASP 51 51 4819 1 . ILE 52 52 4819 1 . PRO 53 53 4819 1 . GLY 54 54 4819 1 . PHE 55 55 4819 1 . CYS 56 56 4819 1 . THR 57 57 4819 1 . PHE 58 58 4819 1 . MET 59 59 4819 1 . GLU 60 60 4819 1 . HIS 61 61 4819 1 . GLU 62 62 4819 1 . LEU 63 63 4819 1 . VAL 64 64 4819 1 . ALA 65 65 4819 1 . LYS 66 66 4819 1 . GLU 67 67 4819 1 . THR 68 68 4819 1 . ASP 69 69 4819 1 . GLY 70 70 4819 1 . LEU 71 71 4819 1 . PRO 72 72 4819 1 . TYR 73 73 4819 1 . ARG 74 74 4819 1 . TYR 75 75 4819 1 . LEU 76 76 4819 1 . ILE 77 77 4819 1 . ARG 78 78 4819 1 . LYS 79 79 4819 1 . GLY 80 80 4819 1 . GLY 81 81 4819 1 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 4819 _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 $Yhh_monomer . 562 organism . 'Escherichia coli' E.coli . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 4819 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 4819 _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 $Yhh_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4819 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 4819 _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 Yhh . . . 1 $Yhh_monomer . . . . . 1.0 . . . . 4819 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond _Sample_condition_list.Entry_ID 4819 _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 7.2 0.1 n/a 4819 1 temperature 298 1 K 4819 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4819 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 4819 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 4819 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 4819 _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 . . . . . . . . . . . . 1 $sample . . . 1 $Ex-cond . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 4819 1 stop_ 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 4819 _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 C 13 TSP 'methyl protons' . . . . ppm 0.00 external indirect 0.25144581 external_to_the_sample cylindrical parallel_to_Bo . . . . . . 4819 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 external indirect 1 external_to_the_sample cylindrical parallel_to_Bo . . . . . . 4819 1 N 15 'liquid ammonia' nitrogen . . . . ppm 24.93 external indirect 0.10132944 external_to_the_sample cylindrical parallel_to_Bo . . . . . . 4819 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_na _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode na _Assigned_chem_shift_list.Entry_ID 4819 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond _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 . 4819 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 HA H 1 4.03 . . 1 . . . . . . . . 4819 1 2 . 1 1 1 1 MET HB2 H 1 2.15 . . 2 . . . . . . . . 4819 1 3 . 1 1 1 1 MET HB3 H 1 2.11 . . 2 . . . . . . . . 4819 1 4 . 1 1 1 1 MET HG2 H 1 2.62 . . 1 . . . . . . . . 4819 1 5 . 1 1 1 1 MET HG3 H 1 2.62 . . 1 . . . . . . . . 4819 1 6 . 1 1 1 1 MET CA C 13 55.55 . . 1 . . . . . . . . 4819 1 7 . 1 1 1 1 MET CB C 13 34.06 . . 1 . . . . . . . . 4819 1 8 . 1 1 1 1 MET CG C 13 31.47 . . 1 . . . . . . . . 4819 1 9 . 1 1 2 2 THR HA H 1 4.35 . . 1 . . . . . . . . 4819 1 10 . 1 1 2 2 THR HB H 1 4.15 . . 1 . . . . . . . . 4819 1 11 . 1 1 2 2 THR HG21 H 1 1.19 . . 1 . . . . . . . . 4819 1 12 . 1 1 2 2 THR HG22 H 1 1.19 . . 1 . . . . . . . . 4819 1 13 . 1 1 2 2 THR HG23 H 1 1.19 . . 1 . . . . . . . . 4819 1 14 . 1 1 2 2 THR C C 13 175.85 . . 1 . . . . . . . . 4819 1 15 . 1 1 2 2 THR CA C 13 62.32 . . 1 . . . . . . . . 4819 1 16 . 1 1 2 2 THR CB C 13 69.90 . . 1 . . . . . . . . 4819 1 17 . 1 1 2 2 THR CG2 C 13 21.71 . . 1 . . . . . . . . 4819 1 18 . 1 1 3 3 ASP H H 1 8.59 . . 1 . . . . . . . . 4819 1 19 . 1 1 3 3 ASP HA H 1 4.77 . . 1 . . . . . . . . 4819 1 20 . 1 1 3 3 ASP HB2 H 1 2.82 . . 1 . . . . . . . . 4819 1 21 . 1 1 3 3 ASP HB3 H 1 2.82 . . 1 . . . . . . . . 4819 1 22 . 1 1 3 3 ASP C C 13 177.12 . . 1 . . . . . . . . 4819 1 23 . 1 1 3 3 ASP CA C 13 53.64 . . 1 . . . . . . . . 4819 1 24 . 1 1 3 3 ASP CB C 13 41.47 . . 1 . . . . . . . . 4819 1 25 . 1 1 3 3 ASP CG C 13 180.24 . . 1 . . . . . . . . 4819 1 26 . 1 1 3 3 ASP N N 15 123.73 . . 1 . . . . . . . . 4819 1 27 . 1 1 4 4 LEU H H 1 8.51 . . 1 . . . . . . . . 4819 1 28 . 1 1 4 4 LEU HA H 1 4.00 . . 1 . . . . . . . . 4819 1 29 . 1 1 4 4 LEU HB2 H 1 1.18 . . 1 . . . . . . . . 4819 1 30 . 1 1 4 4 LEU HB3 H 1 1.02 . . 1 . . . . . . . . 4819 1 31 . 1 1 4 4 LEU HG H 1 1.54 . . 1 . . . . . . . . 4819 1 32 . 1 1 4 4 LEU HD11 H 1 0.80 . . 2 . . . . . . . . 4819 1 33 . 1 1 4 4 LEU HD12 H 1 0.80 . . 2 . . . . . . . . 4819 1 34 . 1 1 4 4 LEU HD13 H 1 0.80 . . 2 . . . . . . . . 4819 1 35 . 1 1 4 4 LEU HD21 H 1 0.75 . . 2 . . . . . . . . 4819 1 36 . 1 1 4 4 LEU HD22 H 1 0.75 . . 2 . . . . . . . . 4819 1 37 . 1 1 4 4 LEU HD23 H 1 0.75 . . 2 . . . . . . . . 4819 1 38 . 1 1 4 4 LEU C C 13 177.45 . . 1 . . . . . . . . 4819 1 39 . 1 1 4 4 LEU CA C 13 56.76 . . 1 . . . . . . . . 4819 1 40 . 1 1 4 4 LEU CB C 13 42.01 . . 1 . . . . . . . . 4819 1 41 . 1 1 4 4 LEU CG C 13 26.98 . . 1 . . . . . . . . 4819 1 42 . 1 1 4 4 LEU CD1 C 13 25.33 . . 2 . . . . . . . . 4819 1 43 . 1 1 4 4 LEU CD2 C 13 23.06 . . 2 . . . . . . . . 4819 1 44 . 1 1 4 4 LEU N N 15 123.07 . . 1 . . . . . . . . 4819 1 45 . 1 1 5 5 PHE H H 1 8.14 . . 1 . . . . . . . . 4819 1 46 . 1 1 5 5 PHE HA H 1 4.36 . . 1 . . . . . . . . 4819 1 47 . 1 1 5 5 PHE HB2 H 1 2.99 . . 1 . . . . . . . . 4819 1 48 . 1 1 5 5 PHE HB3 H 1 3.30 . . 1 . . . . . . . . 4819 1 49 . 1 1 5 5 PHE HD1 H 1 7.15 . . 1 . . . . . . . . 4819 1 50 . 1 1 5 5 PHE HD2 H 1 7.15 . . 1 . . . . . . . . 4819 1 51 . 1 1 5 5 PHE HE1 H 1 7.04 . . 1 . . . . . . . . 4819 1 52 . 1 1 5 5 PHE HE2 H 1 7.04 . . 1 . . . . . . . . 4819 1 53 . 1 1 5 5 PHE HZ H 1 6.73 . . 1 . . . . . . . . 4819 1 54 . 1 1 5 5 PHE C C 13 175.86 . . 1 . . . . . . . . 4819 1 55 . 1 1 5 5 PHE CA C 13 58.27 . . 1 . . . . . . . . 4819 1 56 . 1 1 5 5 PHE CB C 13 39.98 . . 1 . . . . . . . . 4819 1 57 . 1 1 5 5 PHE CD1 C 13 131.39 . . 1 . . . . . . . . 4819 1 58 . 1 1 5 5 PHE CD2 C 13 131.39 . . 1 . . . . . . . . 4819 1 59 . 1 1 5 5 PHE CE1 C 13 131.09 . . 1 . . . . . . . . 4819 1 60 . 1 1 5 5 PHE CE2 C 13 131.09 . . 1 . . . . . . . . 4819 1 61 . 1 1 5 5 PHE CZ C 13 129.13 . . 1 . . . . . . . . 4819 1 62 . 1 1 5 5 PHE N N 15 114.67 . . 1 . . . . . . . . 4819 1 63 . 1 1 6 6 SER H H 1 7.38 . . 1 . . . . . . . . 4819 1 64 . 1 1 6 6 SER HA H 1 4.30 . . 1 . . . . . . . . 4819 1 65 . 1 1 6 6 SER HB2 H 1 3.97 . . 1 . . . . . . . . 4819 1 66 . 1 1 6 6 SER HB3 H 1 3.97 . . 1 . . . . . . . . 4819 1 67 . 1 1 6 6 SER C C 13 174.67 . . 1 . . . . . . . . 4819 1 68 . 1 1 6 6 SER CA C 13 60.10 . . 1 . . . . . . . . 4819 1 69 . 1 1 6 6 SER CB C 13 64.37 . . 1 . . . . . . . . 4819 1 70 . 1 1 6 6 SER N N 15 112.76 . . 1 . . . . . . . . 4819 1 71 . 1 1 7 7 SER H H 1 8.58 . . 1 . . . . . . . . 4819 1 72 . 1 1 7 7 SER HA H 1 4.65 . . 1 . . . . . . . . 4819 1 73 . 1 1 7 7 SER HB2 H 1 3.86 . . 2 . . . . . . . . 4819 1 74 . 1 1 7 7 SER HB3 H 1 3.73 . . 2 . . . . . . . . 4819 1 75 . 1 1 7 7 SER C C 13 171.86 . . 1 . . . . . . . . 4819 1 76 . 1 1 7 7 SER CA C 13 56.46 . . 1 . . . . . . . . 4819 1 77 . 1 1 7 7 SER CB C 13 63.27 . . 1 . . . . . . . . 4819 1 78 . 1 1 7 7 SER N N 15 115.93 . . 1 . . . . . . . . 4819 1 79 . 1 1 8 8 PRO HA H 1 4.60 . . 1 . . . . . . . . 4819 1 80 . 1 1 8 8 PRO HB2 H 1 2.19 . . 1 . . . . . . . . 4819 1 81 . 1 1 8 8 PRO HB3 H 1 1.87 . . 1 . . . . . . . . 4819 1 82 . 1 1 8 8 PRO HG2 H 1 1.97 . . 1 . . . . . . . . 4819 1 83 . 1 1 8 8 PRO HG3 H 1 1.86 . . 1 . . . . . . . . 4819 1 84 . 1 1 8 8 PRO HD2 H 1 3.49 . . 1 . . . . . . . . 4819 1 85 . 1 1 8 8 PRO HD3 H 1 3.66 . . 1 . . . . . . . . 4819 1 86 . 1 1 8 8 PRO C C 13 177.49 . . 1 . . . . . . . . 4819 1 87 . 1 1 8 8 PRO CA C 13 62.22 . . 1 . . . . . . . . 4819 1 88 . 1 1 8 8 PRO CB C 13 31.91 . . 1 . . . . . . . . 4819 1 89 . 1 1 8 8 PRO CG C 13 27.25 . . 1 . . . . . . . . 4819 1 90 . 1 1 8 8 PRO CD C 13 49.60 . . 1 . . . . . . . . 4819 1 91 . 1 1 9 9 ASP H H 1 8.29 . . 1 . . . . . . . . 4819 1 92 . 1 1 9 9 ASP HA H 1 4.34 . . 1 . . . . . . . . 4819 1 93 . 1 1 9 9 ASP HB2 H 1 3.51 . . 1 . . . . . . . . 4819 1 94 . 1 1 9 9 ASP HB3 H 1 2.40 . . 1 . . . . . . . . 4819 1 95 . 1 1 9 9 ASP C C 13 173.44 . . 1 . . . . . . . . 4819 1 96 . 1 1 9 9 ASP CA C 13 58.31 . . 1 . . . . . . . . 4819 1 97 . 1 1 9 9 ASP CB C 13 41.68 . . 1 . . . . . . . . 4819 1 98 . 1 1 9 9 ASP CG C 13 179.92 . . 1 . . . . . . . . 4819 1 99 . 1 1 9 9 ASP N N 15 121.75 . . 1 . . . . . . . . 4819 1 100 . 1 1 10 10 HIS H H 1 8.08 . . 1 . . . . . . . . 4819 1 101 . 1 1 10 10 HIS HA H 1 4.84 . . 1 . . . . . . . . 4819 1 102 . 1 1 10 10 HIS HB2 H 1 2.92 . . 1 . . . . . . . . 4819 1 103 . 1 1 10 10 HIS HB3 H 1 3.03 . . 1 . . . . . . . . 4819 1 104 . 1 1 10 10 HIS HD2 H 1 6.88 . . 1 . . . . . . . . 4819 1 105 . 1 1 10 10 HIS HE1 H 1 7.95 . . 1 . . . . . . . . 4819 1 106 . 1 1 10 10 HIS C C 13 174.21 . . 1 . . . . . . . . 4819 1 107 . 1 1 10 10 HIS CA C 13 54.79 . . 1 . . . . . . . . 4819 1 108 . 1 1 10 10 HIS CB C 13 34.98 . . 1 . . . . . . . . 4819 1 109 . 1 1 10 10 HIS CD2 C 13 118.82 . . 1 . . . . . . . . 4819 1 110 . 1 1 10 10 HIS CE1 C 13 138.72 . . 1 . . . . . . . . 4819 1 111 . 1 1 10 10 HIS N N 15 115.07 . . 1 . . . . . . . . 4819 1 112 . 1 1 11 11 THR H H 1 8.90 . . 1 . . . . . . . . 4819 1 113 . 1 1 11 11 THR HA H 1 5.29 . . 1 . . . . . . . . 4819 1 114 . 1 1 11 11 THR HB H 1 3.99 . . 1 . . . . . . . . 4819 1 115 . 1 1 11 11 THR HG21 H 1 1.16 . . 1 . . . . . . . . 4819 1 116 . 1 1 11 11 THR HG22 H 1 1.16 . . 1 . . . . . . . . 4819 1 117 . 1 1 11 11 THR HG23 H 1 1.16 . . 1 . . . . . . . . 4819 1 118 . 1 1 11 11 THR C C 13 172.83 . . 1 . . . . . . . . 4819 1 119 . 1 1 11 11 THR CA C 13 62.38 . . 1 . . . . . . . . 4819 1 120 . 1 1 11 11 THR CB C 13 72.02 . . 1 . . . . . . . . 4819 1 121 . 1 1 11 11 THR CG2 C 13 21.38 . . 1 . . . . . . . . 4819 1 122 . 1 1 11 11 THR N N 15 116.94 . . 1 . . . . . . . . 4819 1 123 . 1 1 12 12 LEU H H 1 9.67 . . 1 . . . . . . . . 4819 1 124 . 1 1 12 12 LEU HA H 1 4.72 . . 1 . . . . . . . . 4819 1 125 . 1 1 12 12 LEU HB2 H 1 1.45 . . 1 . . . . . . . . 4819 1 126 . 1 1 12 12 LEU HB3 H 1 1.81 . . 1 . . . . . . . . 4819 1 127 . 1 1 12 12 LEU HG H 1 1.50 . . 1 . . . . . . . . 4819 1 128 . 1 1 12 12 LEU HD11 H 1 0.92 . . 1 . . . . . . . . 4819 1 129 . 1 1 12 12 LEU HD12 H 1 0.92 . . 1 . . . . . . . . 4819 1 130 . 1 1 12 12 LEU HD13 H 1 0.92 . . 1 . . . . . . . . 4819 1 131 . 1 1 12 12 LEU HD21 H 1 0.82 . . 1 . . . . . . . . 4819 1 132 . 1 1 12 12 LEU HD22 H 1 0.82 . . 1 . . . . . . . . 4819 1 133 . 1 1 12 12 LEU HD23 H 1 0.82 . . 1 . . . . . . . . 4819 1 134 . 1 1 12 12 LEU C C 13 173.29 . . 1 . . . . . . . . 4819 1 135 . 1 1 12 12 LEU CA C 13 53.90 . . 1 . . . . . . . . 4819 1 136 . 1 1 12 12 LEU CB C 13 45.94 . . 1 . . . . . . . . 4819 1 137 . 1 1 12 12 LEU CG C 13 27.77 . . 1 . . . . . . . . 4819 1 138 . 1 1 12 12 LEU CD1 C 13 23.80 . . 1 . . . . . . . . 4819 1 139 . 1 1 12 12 LEU CD2 C 13 26.50 . . 1 . . . . . . . . 4819 1 140 . 1 1 12 12 LEU N N 15 128.22 . . 1 . . . . . . . . 4819 1 141 . 1 1 13 13 ASP H H 1 8.86 . . 1 . . . . . . . . 4819 1 142 . 1 1 13 13 ASP HA H 1 4.74 . . 1 . . . . . . . . 4819 1 143 . 1 1 13 13 ASP HB2 H 1 2.50 . . 1 . . . . . . . . 4819 1 144 . 1 1 13 13 ASP HB3 H 1 3.02 . . 1 . . . . . . . . 4819 1 145 . 1 1 13 13 ASP C C 13 175.30 . . 1 . . . . . . . . 4819 1 146 . 1 1 13 13 ASP CA C 13 53.67 . . 1 . . . . . . . . 4819 1 147 . 1 1 13 13 ASP CB C 13 40.51 . . 1 . . . . . . . . 4819 1 148 . 1 1 13 13 ASP CG C 13 178.96 . . 1 . . . . . . . . 4819 1 149 . 1 1 13 13 ASP N N 15 126.51 . . 1 . . . . . . . . 4819 1 150 . 1 1 14 14 ALA H H 1 9.07 . . 1 . . . . . . . . 4819 1 151 . 1 1 14 14 ALA HA H 1 4.79 . . 1 . . . . . . . . 4819 1 152 . 1 1 14 14 ALA HB1 H 1 1.40 . . 1 . . . . . . . . 4819 1 153 . 1 1 14 14 ALA HB2 H 1 1.40 . . 1 . . . . . . . . 4819 1 154 . 1 1 14 14 ALA HB3 H 1 1.40 . . 1 . . . . . . . . 4819 1 155 . 1 1 14 14 ALA C C 13 178.52 . . 1 . . . . . . . . 4819 1 156 . 1 1 14 14 ALA CA C 13 49.64 . . 1 . . . . . . . . 4819 1 157 . 1 1 14 14 ALA CB C 13 17.88 . . 1 . . . . . . . . 4819 1 158 . 1 1 14 14 ALA N N 15 127.98 . . 1 . . . . . . . . 4819 1 159 . 1 1 15 15 LEU H H 1 8.89 . . 1 . . . . . . . . 4819 1 160 . 1 1 15 15 LEU HA H 1 4.01 . . 1 . . . . . . . . 4819 1 161 . 1 1 15 15 LEU HB2 H 1 2.10 . . 1 . . . . . . . . 4819 1 162 . 1 1 15 15 LEU HB3 H 1 1.28 . . 1 . . . . . . . . 4819 1 163 . 1 1 15 15 LEU HG H 1 1.64 . . 1 . . . . . . . . 4819 1 164 . 1 1 15 15 LEU HD11 H 1 0.90 . . 1 . . . . . . . . 4819 1 165 . 1 1 15 15 LEU HD12 H 1 0.90 . . 1 . . . . . . . . 4819 1 166 . 1 1 15 15 LEU HD13 H 1 0.90 . . 1 . . . . . . . . 4819 1 167 . 1 1 15 15 LEU HD21 H 1 0.70 . . 1 . . . . . . . . 4819 1 168 . 1 1 15 15 LEU HD22 H 1 0.70 . . 1 . . . . . . . . 4819 1 169 . 1 1 15 15 LEU HD23 H 1 0.70 . . 1 . . . . . . . . 4819 1 170 . 1 1 15 15 LEU C C 13 178.81 . . 1 . . . . . . . . 4819 1 171 . 1 1 15 15 LEU CA C 13 57.79 . . 1 . . . . . . . . 4819 1 172 . 1 1 15 15 LEU CB C 13 40.61 . . 1 . . . . . . . . 4819 1 173 . 1 1 15 15 LEU CG C 13 26.98 . . 1 . . . . . . . . 4819 1 174 . 1 1 15 15 LEU CD1 C 13 25.41 . . 1 . . . . . . . . 4819 1 175 . 1 1 15 15 LEU CD2 C 13 23.29 . . 1 . . . . . . . . 4819 1 176 . 1 1 15 15 LEU N N 15 125.09 . . 1 . . . . . . . . 4819 1 177 . 1 1 16 16 GLY H H 1 10.26 . . 1 . . . . . . . . 4819 1 178 . 1 1 16 16 GLY HA2 H 1 3.76 . . 1 . . . . . . . . 4819 1 179 . 1 1 16 16 GLY HA3 H 1 4.32 . . 1 . . . . . . . . 4819 1 180 . 1 1 16 16 GLY C C 13 174.48 . . 1 . . . . . . . . 4819 1 181 . 1 1 16 16 GLY CA C 13 45.48 . . 1 . . . . . . . . 4819 1 182 . 1 1 16 16 GLY N N 15 113.55 . . 1 . . . . . . . . 4819 1 183 . 1 1 17 17 LEU H H 1 7.44 . . 1 . . . . . . . . 4819 1 184 . 1 1 17 17 LEU HA H 1 4.70 . . 1 . . . . . . . . 4819 1 185 . 1 1 17 17 LEU HB2 H 1 1.96 . . 1 . . . . . . . . 4819 1 186 . 1 1 17 17 LEU HB3 H 1 1.26 . . 1 . . . . . . . . 4819 1 187 . 1 1 17 17 LEU HG H 1 1.58 . . 1 . . . . . . . . 4819 1 188 . 1 1 17 17 LEU HD11 H 1 0.87 . . 1 . . . . . . . . 4819 1 189 . 1 1 17 17 LEU HD12 H 1 0.87 . . 1 . . . . . . . . 4819 1 190 . 1 1 17 17 LEU HD13 H 1 0.87 . . 1 . . . . . . . . 4819 1 191 . 1 1 17 17 LEU HD21 H 1 0.89 . . 1 . . . . . . . . 4819 1 192 . 1 1 17 17 LEU HD22 H 1 0.89 . . 1 . . . . . . . . 4819 1 193 . 1 1 17 17 LEU HD23 H 1 0.89 . . 1 . . . . . . . . 4819 1 194 . 1 1 17 17 LEU C C 13 178.32 . . 1 . . . . . . . . 4819 1 195 . 1 1 17 17 LEU CA C 13 54.15 . . 1 . . . . . . . . 4819 1 196 . 1 1 17 17 LEU CB C 13 42.38 . . 1 . . . . . . . . 4819 1 197 . 1 1 17 17 LEU CG C 13 27.08 . . 1 . . . . . . . . 4819 1 198 . 1 1 17 17 LEU CD1 C 13 22.02 . . 1 . . . . . . . . 4819 1 199 . 1 1 17 17 LEU CD2 C 13 25.82 . . 1 . . . . . . . . 4819 1 200 . 1 1 17 17 LEU N N 15 118.12 . . 1 . . . . . . . . 4819 1 201 . 1 1 18 18 ARG H H 1 9.50 . . 1 . . . . . . . . 4819 1 202 . 1 1 18 18 ARG HA H 1 4.92 . . 1 . . . . . . . . 4819 1 203 . 1 1 18 18 ARG HB2 H 1 1.91 . . 1 . . . . . . . . 4819 1 204 . 1 1 18 18 ARG HB3 H 1 1.83 . . 1 . . . . . . . . 4819 1 205 . 1 1 18 18 ARG HG2 H 1 1.83 . . 2 . . . . . . . . 4819 1 206 . 1 1 18 18 ARG HG3 H 1 1.55 . . 2 . . . . . . . . 4819 1 207 . 1 1 18 18 ARG HD2 H 1 3.30 . . 1 . . . . . . . . 4819 1 208 . 1 1 18 18 ARG HD3 H 1 3.30 . . 1 . . . . . . . . 4819 1 209 . 1 1 18 18 ARG C C 13 175.84 . . 1 . . . . . . . . 4819 1 210 . 1 1 18 18 ARG CA C 13 53.88 . . 1 . . . . . . . . 4819 1 211 . 1 1 18 18 ARG CB C 13 33.28 . . 1 . . . . . . . . 4819 1 212 . 1 1 18 18 ARG CG C 13 26.95 . . 1 . . . . . . . . 4819 1 213 . 1 1 18 18 ARG CD C 13 43.17 . . 1 . . . . . . . . 4819 1 214 . 1 1 18 18 ARG N N 15 123.35 . . 1 . . . . . . . . 4819 1 215 . 1 1 19 19 CYS H H 1 8.95 . . 1 . . . . . . . . 4819 1 216 . 1 1 19 19 CYS HA H 1 4.58 . . 1 . . . . . . . . 4819 1 217 . 1 1 19 19 CYS HB2 H 1 3.11 . . 1 . . . . . . . . 4819 1 218 . 1 1 19 19 CYS HB3 H 1 2.96 . . 1 . . . . . . . . 4819 1 219 . 1 1 19 19 CYS C C 13 174.75 . . 1 . . . . . . . . 4819 1 220 . 1 1 19 19 CYS CA C 13 57.74 . . 1 . . . . . . . . 4819 1 221 . 1 1 19 19 CYS CB C 13 27.36 . . 1 . . . . . . . . 4819 1 222 . 1 1 19 19 CYS N N 15 124.56 . . 1 . . . . . . . . 4819 1 223 . 1 1 20 20 PRO HA H 1 5.18 . . 1 . . . . . . . . 4819 1 224 . 1 1 20 20 PRO HB2 H 1 2.43 . . 1 . . . . . . . . 4819 1 225 . 1 1 20 20 PRO HB3 H 1 2.21 . . 1 . . . . . . . . 4819 1 226 . 1 1 20 20 PRO HG2 H 1 1.79 . . 1 . . . . . . . . 4819 1 227 . 1 1 20 20 PRO HG3 H 1 2.07 . . 1 . . . . . . . . 4819 1 228 . 1 1 20 20 PRO HD2 H 1 3.65 . . 1 . . . . . . . . 4819 1 229 . 1 1 20 20 PRO HD3 H 1 3.65 . . 1 . . . . . . . . 4819 1 230 . 1 1 20 20 PRO C C 13 176.55 . . 1 . . . . . . . . 4819 1 231 . 1 1 20 20 PRO CA C 13 65.27 . . 1 . . . . . . . . 4819 1 232 . 1 1 20 20 PRO CB C 13 34.17 . . 1 . . . . . . . . 4819 1 233 . 1 1 20 20 PRO CG C 13 24.63 . . 1 . . . . . . . . 4819 1 234 . 1 1 20 20 PRO CD C 13 50.01 . . 1 . . . . . . . . 4819 1 235 . 1 1 21 21 GLU H H 1 8.87 . . 1 . . . . . . . . 4819 1 236 . 1 1 21 21 GLU HA H 1 4.28 . . 1 . . . . . . . . 4819 1 237 . 1 1 21 21 GLU HB2 H 1 2.27 . . 1 . . . . . . . . 4819 1 238 . 1 1 21 21 GLU HB3 H 1 2.09 . . 1 . . . . . . . . 4819 1 239 . 1 1 21 21 GLU HG2 H 1 2.55 . . 2 . . . . . . . . 4819 1 240 . 1 1 21 21 GLU HG3 H 1 2.35 . . 2 . . . . . . . . 4819 1 241 . 1 1 21 21 GLU C C 13 175.56 . . 1 . . . . . . . . 4819 1 242 . 1 1 21 21 GLU CA C 13 61.15 . . 1 . . . . . . . . 4819 1 243 . 1 1 21 21 GLU CB C 13 28.93 . . 1 . . . . . . . . 4819 1 244 . 1 1 21 21 GLU CG C 13 37.05 . . 1 . . . . . . . . 4819 1 245 . 1 1 21 21 GLU CD C 13 182.57 . . 1 . . . . . . . . 4819 1 246 . 1 1 21 21 GLU N N 15 123.89 . . 1 . . . . . . . . 4819 1 247 . 1 1 22 22 PRO HA H 1 4.02 . . 1 . . . . . . . . 4819 1 248 . 1 1 22 22 PRO HB2 H 1 1.74 . . 1 . . . . . . . . 4819 1 249 . 1 1 22 22 PRO HB3 H 1 1.94 . . 1 . . . . . . . . 4819 1 250 . 1 1 22 22 PRO HG2 H 1 2.40 . . 1 . . . . . . . . 4819 1 251 . 1 1 22 22 PRO HG3 H 1 1.83 . . 1 . . . . . . . . 4819 1 252 . 1 1 22 22 PRO HD2 H 1 3.79 . . 1 . . . . . . . . 4819 1 253 . 1 1 22 22 PRO HD3 H 1 3.38 . . 1 . . . . . . . . 4819 1 254 . 1 1 22 22 PRO C C 13 177.74 . . 1 . . . . . . . . 4819 1 255 . 1 1 22 22 PRO CA C 13 67.72 . . 1 . . . . . . . . 4819 1 256 . 1 1 22 22 PRO CB C 13 31.22 . . 1 . . . . . . . . 4819 1 257 . 1 1 22 22 PRO CG C 13 28.80 . . 1 . . . . . . . . 4819 1 258 . 1 1 22 22 PRO CD C 13 49.68 . . 1 . . . . . . . . 4819 1 259 . 1 1 23 23 VAL H H 1 8.55 . . 1 . . . . . . . . 4819 1 260 . 1 1 23 23 VAL HA H 1 3.14 . . 1 . . . . . . . . 4819 1 261 . 1 1 23 23 VAL HB H 1 1.97 . . 1 . . . . . . . . 4819 1 262 . 1 1 23 23 VAL HG11 H 1 0.75 . . 1 . . . . . . . . 4819 1 263 . 1 1 23 23 VAL HG12 H 1 0.75 . . 1 . . . . . . . . 4819 1 264 . 1 1 23 23 VAL HG13 H 1 0.75 . . 1 . . . . . . . . 4819 1 265 . 1 1 23 23 VAL HG21 H 1 0.81 . . 1 . . . . . . . . 4819 1 266 . 1 1 23 23 VAL HG22 H 1 0.81 . . 1 . . . . . . . . 4819 1 267 . 1 1 23 23 VAL HG23 H 1 0.81 . . 1 . . . . . . . . 4819 1 268 . 1 1 23 23 VAL C C 13 177.29 . . 1 . . . . . . . . 4819 1 269 . 1 1 23 23 VAL CA C 13 67.07 . . 1 . . . . . . . . 4819 1 270 . 1 1 23 23 VAL CB C 13 30.70 . . 1 . . . . . . . . 4819 1 271 . 1 1 23 23 VAL CG1 C 13 21.83 . . 1 . . . . . . . . 4819 1 272 . 1 1 23 23 VAL CG2 C 13 25.29 . . 1 . . . . . . . . 4819 1 273 . 1 1 23 23 VAL N N 15 115.71 . . 1 . . . . . . . . 4819 1 274 . 1 1 24 24 MET H H 1 7.75 . . 1 . . . . . . . . 4819 1 275 . 1 1 24 24 MET HA H 1 4.06 . . 1 . . . . . . . . 4819 1 276 . 1 1 24 24 MET HB2 H 1 2.23 . . 1 . . . . . . . . 4819 1 277 . 1 1 24 24 MET HB3 H 1 2.75 . . 1 . . . . . . . . 4819 1 278 . 1 1 24 24 MET HG2 H 1 2.60 . . 1 . . . . . . . . 4819 1 279 . 1 1 24 24 MET HG3 H 1 2.19 . . 1 . . . . . . . . 4819 1 280 . 1 1 24 24 MET C C 13 179.53 . . 1 . . . . . . . . 4819 1 281 . 1 1 24 24 MET CA C 13 59.50 . . 1 . . . . . . . . 4819 1 282 . 1 1 24 24 MET CB C 13 32.21 . . 1 . . . . . . . . 4819 1 283 . 1 1 24 24 MET CG C 13 32.21 . . 1 . . . . . . . . 4819 1 284 . 1 1 24 24 MET N N 15 119.54 . . 1 . . . . . . . . 4819 1 285 . 1 1 25 25 MET H H 1 8.22 . . 1 . . . . . . . . 4819 1 286 . 1 1 25 25 MET HA H 1 4.37 . . 1 . . . . . . . . 4819 1 287 . 1 1 25 25 MET HB2 H 1 2.18 . . 1 . . . . . . . . 4819 1 288 . 1 1 25 25 MET HB3 H 1 2.02 . . 1 . . . . . . . . 4819 1 289 . 1 1 25 25 MET HG2 H 1 2.66 . . 1 . . . . . . . . 4819 1 290 . 1 1 25 25 MET HG3 H 1 2.66 . . 1 . . . . . . . . 4819 1 291 . 1 1 25 25 MET C C 13 180.02 . . 1 . . . . . . . . 4819 1 292 . 1 1 25 25 MET CA C 13 57.31 . . 1 . . . . . . . . 4819 1 293 . 1 1 25 25 MET CB C 13 32.00 . . 1 . . . . . . . . 4819 1 294 . 1 1 25 25 MET CG C 13 32.45 . . 1 . . . . . . . . 4819 1 295 . 1 1 25 25 MET N N 15 117.51 . . 1 . . . . . . . . 4819 1 296 . 1 1 26 26 VAL H H 1 8.52 . . 1 . . . . . . . . 4819 1 297 . 1 1 26 26 VAL HA H 1 3.15 . . 1 . . . . . . . . 4819 1 298 . 1 1 26 26 VAL HB H 1 1.76 . . 1 . . . . . . . . 4819 1 299 . 1 1 26 26 VAL HG11 H 1 0.32 . . 1 . . . . . . . . 4819 1 300 . 1 1 26 26 VAL HG12 H 1 0.32 . . 1 . . . . . . . . 4819 1 301 . 1 1 26 26 VAL HG13 H 1 0.32 . . 1 . . . . . . . . 4819 1 302 . 1 1 26 26 VAL HG21 H 1 0.78 . . 1 . . . . . . . . 4819 1 303 . 1 1 26 26 VAL HG22 H 1 0.78 . . 1 . . . . . . . . 4819 1 304 . 1 1 26 26 VAL HG23 H 1 0.78 . . 1 . . . . . . . . 4819 1 305 . 1 1 26 26 VAL C C 13 176.84 . . 1 . . . . . . . . 4819 1 306 . 1 1 26 26 VAL CA C 13 67.52 . . 1 . . . . . . . . 4819 1 307 . 1 1 26 26 VAL CB C 13 31.32 . . 1 . . . . . . . . 4819 1 308 . 1 1 26 26 VAL CG1 C 13 22.55 . . 1 . . . . . . . . 4819 1 309 . 1 1 26 26 VAL CG2 C 13 24.33 . . 1 . . . . . . . . 4819 1 310 . 1 1 26 26 VAL N N 15 124.20 . . 1 . . . . . . . . 4819 1 311 . 1 1 27 27 ARG H H 1 8.68 . . 1 . . . . . . . . 4819 1 312 . 1 1 27 27 ARG HA H 1 3.79 . . 1 . . . . . . . . 4819 1 313 . 1 1 27 27 ARG HB2 H 1 1.98 . . 2 . . . . . . . . 4819 1 314 . 1 1 27 27 ARG HB3 H 1 1.89 . . 2 . . . . . . . . 4819 1 315 . 1 1 27 27 ARG HG2 H 1 1.85 . . 2 . . . . . . . . 4819 1 316 . 1 1 27 27 ARG HG3 H 1 1.73 . . 2 . . . . . . . . 4819 1 317 . 1 1 27 27 ARG HD2 H 1 3.32 . . 1 . . . . . . . . 4819 1 318 . 1 1 27 27 ARG HD3 H 1 3.32 . . 1 . . . . . . . . 4819 1 319 . 1 1 27 27 ARG C C 13 179.03 . . 1 . . . . . . . . 4819 1 320 . 1 1 27 27 ARG CA C 13 60.51 . . 1 . . . . . . . . 4819 1 321 . 1 1 27 27 ARG CB C 13 30.46 . . 1 . . . . . . . . 4819 1 322 . 1 1 27 27 ARG CG C 13 28.27 . . 1 . . . . . . . . 4819 1 323 . 1 1 27 27 ARG CD C 13 44.03 . . 1 . . . . . . . . 4819 1 324 . 1 1 27 27 ARG N N 15 119.39 . . 1 . . . . . . . . 4819 1 325 . 1 1 28 28 LYS H H 1 7.53 . . 1 . . . . . . . . 4819 1 326 . 1 1 28 28 LYS HA H 1 4.00 . . 1 . . . . . . . . 4819 1 327 . 1 1 28 28 LYS HB2 H 1 1.95 . . 1 . . . . . . . . 4819 1 328 . 1 1 28 28 LYS HB3 H 1 1.95 . . 1 . . . . . . . . 4819 1 329 . 1 1 28 28 LYS HG2 H 1 1.61 . . 2 . . . . . . . . 4819 1 330 . 1 1 28 28 LYS HG3 H 1 1.48 . . 2 . . . . . . . . 4819 1 331 . 1 1 28 28 LYS HD2 H 1 1.72 . . 1 . . . . . . . . 4819 1 332 . 1 1 28 28 LYS HD3 H 1 1.72 . . 1 . . . . . . . . 4819 1 333 . 1 1 28 28 LYS HE2 H 1 3.01 . . 1 . . . . . . . . 4819 1 334 . 1 1 28 28 LYS HE3 H 1 3.01 . . 1 . . . . . . . . 4819 1 335 . 1 1 28 28 LYS C C 13 178.14 . . 1 . . . . . . . . 4819 1 336 . 1 1 28 28 LYS CA C 13 59.66 . . 1 . . . . . . . . 4819 1 337 . 1 1 28 28 LYS CB C 13 32.88 . . 1 . . . . . . . . 4819 1 338 . 1 1 28 28 LYS CG C 13 25.19 . . 1 . . . . . . . . 4819 1 339 . 1 1 28 28 LYS CD C 13 29.89 . . 1 . . . . . . . . 4819 1 340 . 1 1 28 28 LYS CE C 13 42.17 . . 1 . . . . . . . . 4819 1 341 . 1 1 28 28 LYS N N 15 117.24 . . 1 . . . . . . . . 4819 1 342 . 1 1 29 29 THR H H 1 7.80 . . 1 . . . . . . . . 4819 1 343 . 1 1 29 29 THR HA H 1 3.93 . . 1 . . . . . . . . 4819 1 344 . 1 1 29 29 THR HB H 1 4.07 . . 1 . . . . . . . . 4819 1 345 . 1 1 29 29 THR HG21 H 1 1.14 . . 1 . . . . . . . . 4819 1 346 . 1 1 29 29 THR HG22 H 1 1.14 . . 1 . . . . . . . . 4819 1 347 . 1 1 29 29 THR HG23 H 1 1.14 . . 1 . . . . . . . . 4819 1 348 . 1 1 29 29 THR C C 13 177.12 . . 1 . . . . . . . . 4819 1 349 . 1 1 29 29 THR CA C 13 67.17 . . 1 . . . . . . . . 4819 1 350 . 1 1 29 29 THR CB C 13 68.66 . . 1 . . . . . . . . 4819 1 351 . 1 1 29 29 THR CG2 C 13 21.88 . . 1 . . . . . . . . 4819 1 352 . 1 1 29 29 THR N N 15 116.22 . . 1 . . . . . . . . 4819 1 353 . 1 1 30 30 VAL H H 1 8.89 . . 1 . . . . . . . . 4819 1 354 . 1 1 30 30 VAL HA H 1 4.06 . . 1 . . . . . . . . 4819 1 355 . 1 1 30 30 VAL HB H 1 2.06 . . 1 . . . . . . . . 4819 1 356 . 1 1 30 30 VAL HG11 H 1 0.74 . . 1 . . . . . . . . 4819 1 357 . 1 1 30 30 VAL HG12 H 1 0.74 . . 1 . . . . . . . . 4819 1 358 . 1 1 30 30 VAL HG13 H 1 0.74 . . 1 . . . . . . . . 4819 1 359 . 1 1 30 30 VAL HG21 H 1 0.89 . . 1 . . . . . . . . 4819 1 360 . 1 1 30 30 VAL HG22 H 1 0.89 . . 1 . . . . . . . . 4819 1 361 . 1 1 30 30 VAL HG23 H 1 0.89 . . 1 . . . . . . . . 4819 1 362 . 1 1 30 30 VAL C C 13 178.83 . . 1 . . . . . . . . 4819 1 363 . 1 1 30 30 VAL CA C 13 64.99 . . 1 . . . . . . . . 4819 1 364 . 1 1 30 30 VAL CB C 13 31.70 . . 1 . . . . . . . . 4819 1 365 . 1 1 30 30 VAL CG1 C 13 21.58 . . 1 . . . . . . . . 4819 1 366 . 1 1 30 30 VAL CG2 C 13 23.70 . . 1 . . . . . . . . 4819 1 367 . 1 1 30 30 VAL N N 15 120.41 . . 1 . . . . . . . . 4819 1 368 . 1 1 31 31 ARG H H 1 7.47 . . 1 . . . . . . . . 4819 1 369 . 1 1 31 31 ARG HA H 1 4.19 . . 1 . . . . . . . . 4819 1 370 . 1 1 31 31 ARG HB2 H 1 2.01 . . 1 . . . . . . . . 4819 1 371 . 1 1 31 31 ARG HB3 H 1 1.93 . . 1 . . . . . . . . 4819 1 372 . 1 1 31 31 ARG HG2 H 1 1.73 . . 2 . . . . . . . . 4819 1 373 . 1 1 31 31 ARG HG3 H 1 1.87 . . 2 . . . . . . . . 4819 1 374 . 1 1 31 31 ARG HD2 H 1 3.29 . . 1 . . . . . . . . 4819 1 375 . 1 1 31 31 ARG HD3 H 1 3.29 . . 1 . . . . . . . . 4819 1 376 . 1 1 31 31 ARG C C 13 176.76 . . 1 . . . . . . . . 4819 1 377 . 1 1 31 31 ARG CA C 13 59.41 . . 1 . . . . . . . . 4819 1 378 . 1 1 31 31 ARG CB C 13 30.05 . . 1 . . . . . . . . 4819 1 379 . 1 1 31 31 ARG CG C 13 27.37 . . 1 . . . . . . . . 4819 1 380 . 1 1 31 31 ARG CD C 13 43.72 . . 1 . . . . . . . . 4819 1 381 . 1 1 31 31 ARG N N 15 119.95 . . 1 . . . . . . . . 4819 1 382 . 1 1 32 32 ASN H H 1 7.04 . . 1 . . . . . . . . 4819 1 383 . 1 1 32 32 ASN HA H 1 4.86 . . 1 . . . . . . . . 4819 1 384 . 1 1 32 32 ASN HB2 H 1 3.06 . . 1 . . . . . . . . 4819 1 385 . 1 1 32 32 ASN HB3 H 1 2.74 . . 1 . . . . . . . . 4819 1 386 . 1 1 32 32 ASN HD21 H 1 7.64 . . 2 . . . . . . . . 4819 1 387 . 1 1 32 32 ASN HD22 H 1 6.92 . . 2 . . . . . . . . 4819 1 388 . 1 1 32 32 ASN C C 13 175.35 . . 1 . . . . . . . . 4819 1 389 . 1 1 32 32 ASN CA C 13 53.22 . . 1 . . . . . . . . 4819 1 390 . 1 1 32 32 ASN CB C 13 39.66 . . 1 . . . . . . . . 4819 1 391 . 1 1 32 32 ASN CG C 13 177.04 . . 1 . . . . . . . . 4819 1 392 . 1 1 32 32 ASN N N 15 113.19 . . 1 . . . . . . . . 4819 1 393 . 1 1 32 32 ASN ND2 N 15 112.76 . . 1 . . . . . . . . 4819 1 394 . 1 1 33 33 MET H H 1 7.20 . . 1 . . . . . . . . 4819 1 395 . 1 1 33 33 MET HA H 1 4.29 . . 1 . . . . . . . . 4819 1 396 . 1 1 33 33 MET HB2 H 1 1.95 . . 1 . . . . . . . . 4819 1 397 . 1 1 33 33 MET HB3 H 1 2.34 . . 1 . . . . . . . . 4819 1 398 . 1 1 33 33 MET HG2 H 1 1.81 . . 1 . . . . . . . . 4819 1 399 . 1 1 33 33 MET HG3 H 1 2.31 . . 1 . . . . . . . . 4819 1 400 . 1 1 33 33 MET HE1 H 1 1.85 . . 1 . . . . . . . . 4819 1 401 . 1 1 33 33 MET HE2 H 1 1.85 . . 1 . . . . . . . . 4819 1 402 . 1 1 33 33 MET HE3 H 1 1.85 . . 1 . . . . . . . . 4819 1 403 . 1 1 33 33 MET C C 13 175.84 . . 1 . . . . . . . . 4819 1 404 . 1 1 33 33 MET CA C 13 55.78 . . 1 . . . . . . . . 4819 1 405 . 1 1 33 33 MET CB C 13 36.04 . . 1 . . . . . . . . 4819 1 406 . 1 1 33 33 MET CG C 13 29.29 . . 1 . . . . . . . . 4819 1 407 . 1 1 33 33 MET CE C 13 15.50 . . 1 . . . . . . . . 4819 1 408 . 1 1 33 33 MET N N 15 118.70 . . 1 . . . . . . . . 4819 1 409 . 1 1 34 34 GLN H H 1 8.91 . . 1 . . . . . . . . 4819 1 410 . 1 1 34 34 GLN HA H 1 4.81 . . 1 . . . . . . . . 4819 1 411 . 1 1 34 34 GLN HB2 H 1 1.69 . . 1 . . . . . . . . 4819 1 412 . 1 1 34 34 GLN HB3 H 1 2.26 . . 1 . . . . . . . . 4819 1 413 . 1 1 34 34 GLN HG2 H 1 2.55 . . 2 . . . . . . . . 4819 1 414 . 1 1 34 34 GLN HG3 H 1 2.45 . . 2 . . . . . . . . 4819 1 415 . 1 1 34 34 GLN HE21 H 1 7.68 . . 2 . . . . . . . . 4819 1 416 . 1 1 34 34 GLN HE22 H 1 6.89 . . 2 . . . . . . . . 4819 1 417 . 1 1 34 34 GLN C C 13 174.38 . . 1 . . . . . . . . 4819 1 418 . 1 1 34 34 GLN CA C 13 53.12 . . 1 . . . . . . . . 4819 1 419 . 1 1 34 34 GLN CB C 13 28.21 . . 1 . . . . . . . . 4819 1 420 . 1 1 34 34 GLN CG C 13 33.76 . . 1 . . . . . . . . 4819 1 421 . 1 1 34 34 GLN CD C 13 180.46 . . 1 . . . . . . . . 4819 1 422 . 1 1 34 34 GLN N N 15 121.09 . . 1 . . . . . . . . 4819 1 423 . 1 1 34 34 GLN NE2 N 15 113.10 . . 1 . . . . . . . . 4819 1 424 . 1 1 35 35 PRO HA H 1 3.93 . . 1 . . . . . . . . 4819 1 425 . 1 1 35 35 PRO HB2 H 1 1.91 . . 1 . . . . . . . . 4819 1 426 . 1 1 35 35 PRO HB3 H 1 2.31 . . 1 . . . . . . . . 4819 1 427 . 1 1 35 35 PRO HG2 H 1 2.29 . . 1 . . . . . . . . 4819 1 428 . 1 1 35 35 PRO HG3 H 1 2.03 . . 1 . . . . . . . . 4819 1 429 . 1 1 35 35 PRO HD2 H 1 3.71 . . 1 . . . . . . . . 4819 1 430 . 1 1 35 35 PRO HD3 H 1 3.98 . . 1 . . . . . . . . 4819 1 431 . 1 1 35 35 PRO C C 13 177.38 . . 1 . . . . . . . . 4819 1 432 . 1 1 35 35 PRO CA C 13 64.47 . . 1 . . . . . . . . 4819 1 433 . 1 1 35 35 PRO CB C 13 31.87 . . 1 . . . . . . . . 4819 1 434 . 1 1 35 35 PRO CG C 13 28.53 . . 1 . . . . . . . . 4819 1 435 . 1 1 35 35 PRO CD C 13 50.94 . . 1 . . . . . . . . 4819 1 436 . 1 1 36 36 GLY H H 1 8.95 . . 1 . . . . . . . . 4819 1 437 . 1 1 36 36 GLY HA2 H 1 4.46 . . 2 . . . . . . . . 4819 1 438 . 1 1 36 36 GLY HA3 H 1 3.59 . . 2 . . . . . . . . 4819 1 439 . 1 1 36 36 GLY C C 13 174.69 . . 1 . . . . . . . . 4819 1 440 . 1 1 36 36 GLY CA C 13 45.59 . . 1 . . . . . . . . 4819 1 441 . 1 1 36 36 GLY N N 15 112.59 . . 1 . . . . . . . . 4819 1 442 . 1 1 37 37 GLU H H 1 7.92 . . 1 . . . . . . . . 4819 1 443 . 1 1 37 37 GLU HA H 1 4.74 . . 1 . . . . . . . . 4819 1 444 . 1 1 37 37 GLU HB2 H 1 2.60 . . 1 . . . . . . . . 4819 1 445 . 1 1 37 37 GLU HB3 H 1 2.11 . . 1 . . . . . . . . 4819 1 446 . 1 1 37 37 GLU HG2 H 1 2.49 . . 2 . . . . . . . . 4819 1 447 . 1 1 37 37 GLU HG3 H 1 2.31 . . 2 . . . . . . . . 4819 1 448 . 1 1 37 37 GLU C C 13 176.66 . . 1 . . . . . . . . 4819 1 449 . 1 1 37 37 GLU CA C 13 56.56 . . 1 . . . . . . . . 4819 1 450 . 1 1 37 37 GLU CB C 13 33.02 . . 1 . . . . . . . . 4819 1 451 . 1 1 37 37 GLU CG C 13 38.84 . . 1 . . . . . . . . 4819 1 452 . 1 1 37 37 GLU CD C 13 184.83 . . 1 . . . . . . . . 4819 1 453 . 1 1 37 37 GLU N N 15 119.19 . . 1 . . . . . . . . 4819 1 454 . 1 1 38 38 THR H H 1 9.92 . . 1 . . . . . . . . 4819 1 455 . 1 1 38 38 THR HA H 1 5.62 . . 1 . . . . . . . . 4819 1 456 . 1 1 38 38 THR HB H 1 4.18 . . 1 . . . . . . . . 4819 1 457 . 1 1 38 38 THR HG21 H 1 1.22 . . 1 . . . . . . . . 4819 1 458 . 1 1 38 38 THR HG22 H 1 1.22 . . 1 . . . . . . . . 4819 1 459 . 1 1 38 38 THR HG23 H 1 1.22 . . 1 . . . . . . . . 4819 1 460 . 1 1 38 38 THR C C 13 174.58 . . 1 . . . . . . . . 4819 1 461 . 1 1 38 38 THR CA C 13 59.09 . . 1 . . . . . . . . 4819 1 462 . 1 1 38 38 THR CB C 13 72.81 . . 1 . . . . . . . . 4819 1 463 . 1 1 38 38 THR CG2 C 13 21.85 . . 1 . . . . . . . . 4819 1 464 . 1 1 38 38 THR N N 15 109.40 . . 1 . . . . . . . . 4819 1 465 . 1 1 39 39 LEU H H 1 9.17 . . 1 . . . . . . . . 4819 1 466 . 1 1 39 39 LEU HA H 1 5.20 . . 1 . . . . . . . . 4819 1 467 . 1 1 39 39 LEU HB2 H 1 1.48 . . 1 . . . . . . . . 4819 1 468 . 1 1 39 39 LEU HB3 H 1 1.60 . . 1 . . . . . . . . 4819 1 469 . 1 1 39 39 LEU HG H 1 1.38 . . 1 . . . . . . . . 4819 1 470 . 1 1 39 39 LEU HD11 H 1 0.86 . . 1 . . . . . . . . 4819 1 471 . 1 1 39 39 LEU HD12 H 1 0.86 . . 1 . . . . . . . . 4819 1 472 . 1 1 39 39 LEU HD13 H 1 0.86 . . 1 . . . . . . . . 4819 1 473 . 1 1 39 39 LEU HD21 H 1 0.75 . . 1 . . . . . . . . 4819 1 474 . 1 1 39 39 LEU HD22 H 1 0.75 . . 1 . . . . . . . . 4819 1 475 . 1 1 39 39 LEU HD23 H 1 0.75 . . 1 . . . . . . . . 4819 1 476 . 1 1 39 39 LEU C C 13 174.52 . . 1 . . . . . . . . 4819 1 477 . 1 1 39 39 LEU CA C 13 52.66 . . 1 . . . . . . . . 4819 1 478 . 1 1 39 39 LEU CB C 13 45.92 . . 1 . . . . . . . . 4819 1 479 . 1 1 39 39 LEU CG C 13 27.97 . . 1 . . . . . . . . 4819 1 480 . 1 1 39 39 LEU CD1 C 13 24.50 . . 1 . . . . . . . . 4819 1 481 . 1 1 39 39 LEU CD2 C 13 26.96 . . 1 . . . . . . . . 4819 1 482 . 1 1 39 39 LEU N N 15 121.91 . . 1 . . . . . . . . 4819 1 483 . 1 1 40 40 LEU H H 1 9.01 . . 1 . . . . . . . . 4819 1 484 . 1 1 40 40 LEU HA H 1 5.51 . . 1 . . . . . . . . 4819 1 485 . 1 1 40 40 LEU HB2 H 1 1.37 . . 1 . . . . . . . . 4819 1 486 . 1 1 40 40 LEU HB3 H 1 2.20 . . 1 . . . . . . . . 4819 1 487 . 1 1 40 40 LEU HG H 1 1.57 . . 1 . . . . . . . . 4819 1 488 . 1 1 40 40 LEU HD11 H 1 1.08 . . 1 . . . . . . . . 4819 1 489 . 1 1 40 40 LEU HD12 H 1 1.08 . . 1 . . . . . . . . 4819 1 490 . 1 1 40 40 LEU HD13 H 1 1.08 . . 1 . . . . . . . . 4819 1 491 . 1 1 40 40 LEU HD21 H 1 1.12 . . 1 . . . . . . . . 4819 1 492 . 1 1 40 40 LEU HD22 H 1 1.12 . . 1 . . . . . . . . 4819 1 493 . 1 1 40 40 LEU HD23 H 1 1.12 . . 1 . . . . . . . . 4819 1 494 . 1 1 40 40 LEU C C 13 174.50 . . 1 . . . . . . . . 4819 1 495 . 1 1 40 40 LEU CA C 13 53.55 . . 1 . . . . . . . . 4819 1 496 . 1 1 40 40 LEU CB C 13 44.44 . . 1 . . . . . . . . 4819 1 497 . 1 1 40 40 LEU CG C 13 28.23 . . 1 . . . . . . . . 4819 1 498 . 1 1 40 40 LEU CD1 C 13 25.40 . . 1 . . . . . . . . 4819 1 499 . 1 1 40 40 LEU CD2 C 13 26.84 . . 1 . . . . . . . . 4819 1 500 . 1 1 40 40 LEU N N 15 129.08 . . 1 . . . . . . . . 4819 1 501 . 1 1 41 41 ILE H H 1 9.78 . . 1 . . . . . . . . 4819 1 502 . 1 1 41 41 ILE HA H 1 5.15 . . 1 . . . . . . . . 4819 1 503 . 1 1 41 41 ILE HB H 1 1.93 . . 1 . . . . . . . . 4819 1 504 . 1 1 41 41 ILE HG12 H 1 1.69 . . 1 . . . . . . . . 4819 1 505 . 1 1 41 41 ILE HG13 H 1 1.03 . . 1 . . . . . . . . 4819 1 506 . 1 1 41 41 ILE HG21 H 1 0.89 . . 1 . . . . . . . . 4819 1 507 . 1 1 41 41 ILE HG22 H 1 0.89 . . 1 . . . . . . . . 4819 1 508 . 1 1 41 41 ILE HG23 H 1 0.89 . . 1 . . . . . . . . 4819 1 509 . 1 1 41 41 ILE HD11 H 1 0.87 . . 1 . . . . . . . . 4819 1 510 . 1 1 41 41 ILE HD12 H 1 0.87 . . 1 . . . . . . . . 4819 1 511 . 1 1 41 41 ILE HD13 H 1 0.87 . . 1 . . . . . . . . 4819 1 512 . 1 1 41 41 ILE C C 13 174.45 . . 1 . . . . . . . . 4819 1 513 . 1 1 41 41 ILE CA C 13 60.49 . . 1 . . . . . . . . 4819 1 514 . 1 1 41 41 ILE CB C 13 41.55 . . 1 . . . . . . . . 4819 1 515 . 1 1 41 41 ILE CG1 C 13 28.80 . . 1 . . . . . . . . 4819 1 516 . 1 1 41 41 ILE CG2 C 13 18.51 . . 1 . . . . . . . . 4819 1 517 . 1 1 41 41 ILE CD1 C 13 17.45 . . 1 . . . . . . . . 4819 1 518 . 1 1 41 41 ILE N N 15 126.96 . . 1 . . . . . . . . 4819 1 519 . 1 1 42 42 ILE H H 1 8.33 . . 1 . . . . . . . . 4819 1 520 . 1 1 42 42 ILE HA H 1 5.11 . . 1 . . . . . . . . 4819 1 521 . 1 1 42 42 ILE HB H 1 1.85 . . 1 . . . . . . . . 4819 1 522 . 1 1 42 42 ILE HG12 H 1 1.57 . . 1 . . . . . . . . 4819 1 523 . 1 1 42 42 ILE HG13 H 1 1.07 . . 1 . . . . . . . . 4819 1 524 . 1 1 42 42 ILE HG21 H 1 0.95 . . 1 . . . . . . . . 4819 1 525 . 1 1 42 42 ILE HG22 H 1 0.95 . . 1 . . . . . . . . 4819 1 526 . 1 1 42 42 ILE HG23 H 1 0.95 . . 1 . . . . . . . . 4819 1 527 . 1 1 42 42 ILE HD11 H 1 0.83 . . 1 . . . . . . . . 4819 1 528 . 1 1 42 42 ILE HD12 H 1 0.83 . . 1 . . . . . . . . 4819 1 529 . 1 1 42 42 ILE HD13 H 1 0.83 . . 1 . . . . . . . . 4819 1 530 . 1 1 42 42 ILE C C 13 174.96 . . 1 . . . . . . . . 4819 1 531 . 1 1 42 42 ILE CA C 13 60.15 . . 1 . . . . . . . . 4819 1 532 . 1 1 42 42 ILE CB C 13 40.34 . . 1 . . . . . . . . 4819 1 533 . 1 1 42 42 ILE CG1 C 13 27.93 . . 1 . . . . . . . . 4819 1 534 . 1 1 42 42 ILE CG2 C 13 18.45 . . 1 . . . . . . . . 4819 1 535 . 1 1 42 42 ILE CD1 C 13 13.97 . . 1 . . . . . . . . 4819 1 536 . 1 1 42 42 ILE N N 15 126.36 . . 1 . . . . . . . . 4819 1 537 . 1 1 43 43 ALA H H 1 9.30 . . 1 . . . . . . . . 4819 1 538 . 1 1 43 43 ALA HA H 1 4.61 . . 1 . . . . . . . . 4819 1 539 . 1 1 43 43 ALA HB1 H 1 1.73 . . 1 . . . . . . . . 4819 1 540 . 1 1 43 43 ALA HB2 H 1 1.73 . . 1 . . . . . . . . 4819 1 541 . 1 1 43 43 ALA HB3 H 1 1.73 . . 1 . . . . . . . . 4819 1 542 . 1 1 43 43 ALA C C 13 174.01 . . 1 . . . . . . . . 4819 1 543 . 1 1 43 43 ALA CA C 13 51.58 . . 1 . . . . . . . . 4819 1 544 . 1 1 43 43 ALA CB C 13 24.64 . . 1 . . . . . . . . 4819 1 545 . 1 1 43 43 ALA N N 15 126.30 . . 1 . . . . . . . . 4819 1 546 . 1 1 44 44 ASP H H 1 8.64 . . 1 . . . . . . . . 4819 1 547 . 1 1 44 44 ASP HA H 1 4.64 . . 1 . . . . . . . . 4819 1 548 . 1 1 44 44 ASP HB2 H 1 3.07 . . 1 . . . . . . . . 4819 1 549 . 1 1 44 44 ASP HB3 H 1 2.45 . . 1 . . . . . . . . 4819 1 550 . 1 1 44 44 ASP C C 13 174.66 . . 1 . . . . . . . . 4819 1 551 . 1 1 44 44 ASP CA C 13 52.84 . . 1 . . . . . . . . 4819 1 552 . 1 1 44 44 ASP CB C 13 40.49 . . 1 . . . . . . . . 4819 1 553 . 1 1 44 44 ASP CG C 13 181.17 . . 1 . . . . . . . . 4819 1 554 . 1 1 44 44 ASP N N 15 114.86 . . 1 . . . . . . . . 4819 1 555 . 1 1 45 45 ASP H H 1 7.44 . . 1 . . . . . . . . 4819 1 556 . 1 1 45 45 ASP HA H 1 5.10 . . 1 . . . . . . . . 4819 1 557 . 1 1 45 45 ASP HB2 H 1 3.69 . . 1 . . . . . . . . 4819 1 558 . 1 1 45 45 ASP HB3 H 1 3.03 . . 1 . . . . . . . . 4819 1 559 . 1 1 45 45 ASP C C 13 176.68 . . 1 . . . . . . . . 4819 1 560 . 1 1 45 45 ASP CA C 13 51.46 . . 1 . . . . . . . . 4819 1 561 . 1 1 45 45 ASP CB C 13 43.49 . . 1 . . . . . . . . 4819 1 562 . 1 1 45 45 ASP CG C 13 178.58 . . 1 . . . . . . . . 4819 1 563 . 1 1 45 45 ASP N N 15 119.81 . . 1 . . . . . . . . 4819 1 564 . 1 1 46 46 PRO HA H 1 4.55 . . 1 . . . . . . . . 4819 1 565 . 1 1 46 46 PRO HB2 H 1 2.18 . . 1 . . . . . . . . 4819 1 566 . 1 1 46 46 PRO HB3 H 1 2.65 . . 1 . . . . . . . . 4819 1 567 . 1 1 46 46 PRO HG2 H 1 2.32 . . 2 . . . . . . . . 4819 1 568 . 1 1 46 46 PRO HG3 H 1 2.92 . . 2 . . . . . . . . 4819 1 569 . 1 1 46 46 PRO HD2 H 1 4.36 . . 1 . . . . . . . . 4819 1 570 . 1 1 46 46 PRO HD3 H 1 4.54 . . 1 . . . . . . . . 4819 1 571 . 1 1 46 46 PRO C C 13 177.99 . . 1 . . . . . . . . 4819 1 572 . 1 1 46 46 PRO CA C 13 65.51 . . 1 . . . . . . . . 4819 1 573 . 1 1 46 46 PRO CB C 13 32.38 . . 1 . . . . . . . . 4819 1 574 . 1 1 46 46 PRO CG C 13 27.57 . . 1 . . . . . . . . 4819 1 575 . 1 1 46 46 PRO CD C 13 52.34 . . 1 . . . . . . . . 4819 1 576 . 1 1 47 47 ALA H H 1 8.41 . . 1 . . . . . . . . 4819 1 577 . 1 1 47 47 ALA HA H 1 4.29 . . 1 . . . . . . . . 4819 1 578 . 1 1 47 47 ALA HB1 H 1 1.71 . . 1 . . . . . . . . 4819 1 579 . 1 1 47 47 ALA HB2 H 1 1.71 . . 1 . . . . . . . . 4819 1 580 . 1 1 47 47 ALA HB3 H 1 1.71 . . 1 . . . . . . . . 4819 1 581 . 1 1 47 47 ALA C C 13 180.76 . . 1 . . . . . . . . 4819 1 582 . 1 1 47 47 ALA CA C 13 54.72 . . 1 . . . . . . . . 4819 1 583 . 1 1 47 47 ALA CB C 13 17.90 . . 1 . . . . . . . . 4819 1 584 . 1 1 47 47 ALA N N 15 119.72 . . 1 . . . . . . . . 4819 1 585 . 1 1 48 48 THR H H 1 8.49 . . 1 . . . . . . . . 4819 1 586 . 1 1 48 48 THR HA H 1 3.75 . . 1 . . . . . . . . 4819 1 587 . 1 1 48 48 THR HB H 1 3.96 . . 1 . . . . . . . . 4819 1 588 . 1 1 48 48 THR HG21 H 1 1.53 . . 1 . . . . . . . . 4819 1 589 . 1 1 48 48 THR HG22 H 1 1.53 . . 1 . . . . . . . . 4819 1 590 . 1 1 48 48 THR HG23 H 1 1.53 . . 1 . . . . . . . . 4819 1 591 . 1 1 48 48 THR C C 13 175.60 . . 1 . . . . . . . . 4819 1 592 . 1 1 48 48 THR CA C 13 66.15 . . 1 . . . . . . . . 4819 1 593 . 1 1 48 48 THR CB C 13 70.24 . . 1 . . . . . . . . 4819 1 594 . 1 1 48 48 THR CG2 C 13 23.16 . . 1 . . . . . . . . 4819 1 595 . 1 1 48 48 THR N N 15 109.18 . . 1 . . . . . . . . 4819 1 596 . 1 1 49 49 THR H H 1 7.39 . . 1 . . . . . . . . 4819 1 597 . 1 1 49 49 THR HA H 1 4.20 . . 1 . . . . . . . . 4819 1 598 . 1 1 49 49 THR HB H 1 4.26 . . 1 . . . . . . . . 4819 1 599 . 1 1 49 49 THR HG21 H 1 0.95 . . 1 . . . . . . . . 4819 1 600 . 1 1 49 49 THR HG22 H 1 0.95 . . 1 . . . . . . . . 4819 1 601 . 1 1 49 49 THR HG23 H 1 0.95 . . 1 . . . . . . . . 4819 1 602 . 1 1 49 49 THR C C 13 175.60 . . 1 . . . . . . . . 4819 1 603 . 1 1 49 49 THR CA C 13 65.21 . . 1 . . . . . . . . 4819 1 604 . 1 1 49 49 THR CB C 13 68.51 . . 1 . . . . . . . . 4819 1 605 . 1 1 49 49 THR CG2 C 13 20.65 . . 1 . . . . . . . . 4819 1 606 . 1 1 49 49 THR N N 15 111.61 . . 1 . . . . . . . . 4819 1 607 . 1 1 50 50 ARG H H 1 6.99 . . 1 . . . . . . . . 4819 1 608 . 1 1 50 50 ARG HA H 1 4.59 . . 1 . . . . . . . . 4819 1 609 . 1 1 50 50 ARG HB2 H 1 1.89 . . 1 . . . . . . . . 4819 1 610 . 1 1 50 50 ARG HB3 H 1 1.96 . . 1 . . . . . . . . 4819 1 611 . 1 1 50 50 ARG HG2 H 1 1.75 . . 2 . . . . . . . . 4819 1 612 . 1 1 50 50 ARG HG3 H 1 1.57 . . 2 . . . . . . . . 4819 1 613 . 1 1 50 50 ARG HD2 H 1 3.27 . . 1 . . . . . . . . 4819 1 614 . 1 1 50 50 ARG HD3 H 1 3.27 . . 1 . . . . . . . . 4819 1 615 . 1 1 50 50 ARG C C 13 179.35 . . 1 . . . . . . . . 4819 1 616 . 1 1 50 50 ARG CA C 13 57.06 . . 1 . . . . . . . . 4819 1 617 . 1 1 50 50 ARG CB C 13 31.95 . . 1 . . . . . . . . 4819 1 618 . 1 1 50 50 ARG CG C 13 27.21 . . 1 . . . . . . . . 4819 1 619 . 1 1 50 50 ARG CD C 13 43.27 . . 1 . . . . . . . . 4819 1 620 . 1 1 50 50 ARG N N 15 118.33 . . 1 . . . . . . . . 4819 1 621 . 1 1 51 51 ASP H H 1 8.81 . . 1 . . . . . . . . 4819 1 622 . 1 1 51 51 ASP HA H 1 4.48 . . 1 . . . . . . . . 4819 1 623 . 1 1 51 51 ASP HB2 H 1 2.28 . . 1 . . . . . . . . 4819 1 624 . 1 1 51 51 ASP HB3 H 1 2.63 . . 1 . . . . . . . . 4819 1 625 . 1 1 51 51 ASP C C 13 179.22 . . 1 . . . . . . . . 4819 1 626 . 1 1 51 51 ASP CA C 13 57.94 . . 1 . . . . . . . . 4819 1 627 . 1 1 51 51 ASP CB C 13 41.06 . . 1 . . . . . . . . 4819 1 628 . 1 1 51 51 ASP CG C 13 177.02 . . 1 . . . . . . . . 4819 1 629 . 1 1 51 51 ASP N N 15 120.52 . . 1 . . . . . . . . 4819 1 630 . 1 1 52 52 ILE H H 1 8.55 . . 1 . . . . . . . . 4819 1 631 . 1 1 52 52 ILE HA H 1 4.11 . . 1 . . . . . . . . 4819 1 632 . 1 1 52 52 ILE HB H 1 1.51 . . 1 . . . . . . . . 4819 1 633 . 1 1 52 52 ILE HG12 H 1 0.85 . . 1 . . . . . . . . 4819 1 634 . 1 1 52 52 ILE HG13 H 1 0.85 . . 1 . . . . . . . . 4819 1 635 . 1 1 52 52 ILE HG21 H 1 0.46 . . 1 . . . . . . . . 4819 1 636 . 1 1 52 52 ILE HG22 H 1 0.46 . . 1 . . . . . . . . 4819 1 637 . 1 1 52 52 ILE HG23 H 1 0.46 . . 1 . . . . . . . . 4819 1 638 . 1 1 52 52 ILE HD11 H 1 0.34 . . 1 . . . . . . . . 4819 1 639 . 1 1 52 52 ILE HD12 H 1 0.34 . . 1 . . . . . . . . 4819 1 640 . 1 1 52 52 ILE HD13 H 1 0.34 . . 1 . . . . . . . . 4819 1 641 . 1 1 52 52 ILE C C 13 175.50 . . 1 . . . . . . . . 4819 1 642 . 1 1 52 52 ILE CA C 13 65.38 . . 1 . . . . . . . . 4819 1 643 . 1 1 52 52 ILE CB C 13 32.55 . . 1 . . . . . . . . 4819 1 644 . 1 1 52 52 ILE CG1 C 13 28.96 . . 1 . . . . . . . . 4819 1 645 . 1 1 52 52 ILE CG2 C 13 17.47 . . 1 . . . . . . . . 4819 1 646 . 1 1 52 52 ILE CD1 C 13 10.25 . . 1 . . . . . . . . 4819 1 647 . 1 1 52 52 ILE N N 15 117.02 . . 1 . . . . . . . . 4819 1 648 . 1 1 53 53 PRO HA H 1 4.27 . . 1 . . . . . . . . 4819 1 649 . 1 1 53 53 PRO HB2 H 1 1.89 . . 1 . . . . . . . . 4819 1 650 . 1 1 53 53 PRO HB3 H 1 2.51 . . 1 . . . . . . . . 4819 1 651 . 1 1 53 53 PRO HG2 H 1 2.47 . . 1 . . . . . . . . 4819 1 652 . 1 1 53 53 PRO HG3 H 1 1.74 . . 1 . . . . . . . . 4819 1 653 . 1 1 53 53 PRO HD2 H 1 3.30 . . 1 . . . . . . . . 4819 1 654 . 1 1 53 53 PRO HD3 H 1 3.51 . . 1 . . . . . . . . 4819 1 655 . 1 1 53 53 PRO C C 13 179.07 . . 1 . . . . . . . . 4819 1 656 . 1 1 53 53 PRO CA C 13 66.74 . . 1 . . . . . . . . 4819 1 657 . 1 1 53 53 PRO CB C 13 30.95 . . 1 . . . . . . . . 4819 1 658 . 1 1 53 53 PRO CG C 13 28.79 . . 1 . . . . . . . . 4819 1 659 . 1 1 53 53 PRO CD C 13 50.02 . . 1 . . . . . . . . 4819 1 660 . 1 1 54 54 GLY H H 1 7.74 . . 1 . . . . . . . . 4819 1 661 . 1 1 54 54 GLY HA2 H 1 3.82 . . 1 . . . . . . . . 4819 1 662 . 1 1 54 54 GLY HA3 H 1 3.94 . . 1 . . . . . . . . 4819 1 663 . 1 1 54 54 GLY C C 13 175.28 . . 1 . . . . . . . . 4819 1 664 . 1 1 54 54 GLY CA C 13 47.50 . . 1 . . . . . . . . 4819 1 665 . 1 1 54 54 GLY N N 15 102.91 . . 1 . . . . . . . . 4819 1 666 . 1 1 55 55 PHE H H 1 8.02 . . 1 . . . . . . . . 4819 1 667 . 1 1 55 55 PHE HA H 1 4.34 . . 1 . . . . . . . . 4819 1 668 . 1 1 55 55 PHE HB2 H 1 3.30 . . 1 . . . . . . . . 4819 1 669 . 1 1 55 55 PHE HB3 H 1 3.43 . . 1 . . . . . . . . 4819 1 670 . 1 1 55 55 PHE HD1 H 1 7.27 . . 1 . . . . . . . . 4819 1 671 . 1 1 55 55 PHE HD2 H 1 7.27 . . 1 . . . . . . . . 4819 1 672 . 1 1 55 55 PHE HE1 H 1 7.18 . . 1 . . . . . . . . 4819 1 673 . 1 1 55 55 PHE HE2 H 1 7.18 . . 1 . . . . . . . . 4819 1 674 . 1 1 55 55 PHE HZ H 1 7.20 . . 1 . . . . . . . . 4819 1 675 . 1 1 55 55 PHE C C 13 176.68 . . 1 . . . . . . . . 4819 1 676 . 1 1 55 55 PHE CA C 13 61.33 . . 1 . . . . . . . . 4819 1 677 . 1 1 55 55 PHE CB C 13 39.19 . . 1 . . . . . . . . 4819 1 678 . 1 1 55 55 PHE CD1 C 13 131.87 . . 1 . . . . . . . . 4819 1 679 . 1 1 55 55 PHE CD2 C 13 131.87 . . 1 . . . . . . . . 4819 1 680 . 1 1 55 55 PHE CE1 C 13 131.49 . . 1 . . . . . . . . 4819 1 681 . 1 1 55 55 PHE CE2 C 13 131.49 . . 1 . . . . . . . . 4819 1 682 . 1 1 55 55 PHE CZ C 13 128.93 . . 1 . . . . . . . . 4819 1 683 . 1 1 55 55 PHE N N 15 123.66 . . 1 . . . . . . . . 4819 1 684 . 1 1 56 56 CYS H H 1 7.96 . . 1 . . . . . . . . 4819 1 685 . 1 1 56 56 CYS HA H 1 3.76 . . 1 . . . . . . . . 4819 1 686 . 1 1 56 56 CYS HB2 H 1 3.26 . . 1 . . . . . . . . 4819 1 687 . 1 1 56 56 CYS HB3 H 1 3.07 . . 1 . . . . . . . . 4819 1 688 . 1 1 56 56 CYS C C 13 176.61 . . 1 . . . . . . . . 4819 1 689 . 1 1 56 56 CYS CA C 13 65.16 . . 1 . . . . . . . . 4819 1 690 . 1 1 56 56 CYS CB C 13 26.17 . . 1 . . . . . . . . 4819 1 691 . 1 1 56 56 CYS N N 15 116.45 . . 1 . . . . . . . . 4819 1 692 . 1 1 57 57 THR H H 1 8.29 . . 1 . . . . . . . . 4819 1 693 . 1 1 57 57 THR HA H 1 3.98 . . 1 . . . . . . . . 4819 1 694 . 1 1 57 57 THR HB H 1 4.14 . . 1 . . . . . . . . 4819 1 695 . 1 1 57 57 THR HG21 H 1 1.18 . . 1 . . . . . . . . 4819 1 696 . 1 1 57 57 THR HG22 H 1 1.18 . . 1 . . . . . . . . 4819 1 697 . 1 1 57 57 THR HG23 H 1 1.18 . . 1 . . . . . . . . 4819 1 698 . 1 1 57 57 THR C C 13 176.83 . . 1 . . . . . . . . 4819 1 699 . 1 1 57 57 THR CA C 13 66.16 . . 1 . . . . . . . . 4819 1 700 . 1 1 57 57 THR CB C 13 68.95 . . 1 . . . . . . . . 4819 1 701 . 1 1 57 57 THR CG2 C 13 21.95 . . 1 . . . . . . . . 4819 1 702 . 1 1 57 57 THR N N 15 114.73 . . 1 . . . . . . . . 4819 1 703 . 1 1 58 58 PHE H H 1 8.20 . . 1 . . . . . . . . 4819 1 704 . 1 1 58 58 PHE HA H 1 4.37 . . 1 . . . . . . . . 4819 1 705 . 1 1 58 58 PHE HB2 H 1 3.20 . . 1 . . . . . . . . 4819 1 706 . 1 1 58 58 PHE HB3 H 1 3.04 . . 1 . . . . . . . . 4819 1 707 . 1 1 58 58 PHE HD1 H 1 7.24 . . 1 . . . . . . . . 4819 1 708 . 1 1 58 58 PHE HD2 H 1 7.24 . . 1 . . . . . . . . 4819 1 709 . 1 1 58 58 PHE HE1 H 1 7.38 . . 1 . . . . . . . . 4819 1 710 . 1 1 58 58 PHE HE2 H 1 7.38 . . 1 . . . . . . . . 4819 1 711 . 1 1 58 58 PHE HZ H 1 7.33 . . 1 . . . . . . . . 4819 1 712 . 1 1 58 58 PHE C C 13 176.97 . . 1 . . . . . . . . 4819 1 713 . 1 1 58 58 PHE CA C 13 60.55 . . 1 . . . . . . . . 4819 1 714 . 1 1 58 58 PHE CB C 13 39.56 . . 1 . . . . . . . . 4819 1 715 . 1 1 58 58 PHE CD1 C 13 131.55 . . 1 . . . . . . . . 4819 1 716 . 1 1 58 58 PHE CD2 C 13 131.55 . . 1 . . . . . . . . 4819 1 717 . 1 1 58 58 PHE CE1 C 13 131.65 . . 1 . . . . . . . . 4819 1 718 . 1 1 58 58 PHE CE2 C 13 131.65 . . 1 . . . . . . . . 4819 1 719 . 1 1 58 58 PHE CZ C 13 129.98 . . 1 . . . . . . . . 4819 1 720 . 1 1 58 58 PHE N N 15 120.36 . . 1 . . . . . . . . 4819 1 721 . 1 1 59 59 MET H H 1 7.79 . . 1 . . . . . . . . 4819 1 722 . 1 1 59 59 MET HA H 1 4.32 . . 1 . . . . . . . . 4819 1 723 . 1 1 59 59 MET HB2 H 1 1.23 . . 1 . . . . . . . . 4819 1 724 . 1 1 59 59 MET HB3 H 1 1.67 . . 1 . . . . . . . . 4819 1 725 . 1 1 59 59 MET HG2 H 1 2.24 . . 2 . . . . . . . . 4819 1 726 . 1 1 59 59 MET HG3 H 1 2.12 . . 2 . . . . . . . . 4819 1 727 . 1 1 59 59 MET C C 13 174.14 . . 1 . . . . . . . . 4819 1 728 . 1 1 59 59 MET CA C 13 53.53 . . 1 . . . . . . . . 4819 1 729 . 1 1 59 59 MET CB C 13 30.84 . . 1 . . . . . . . . 4819 1 730 . 1 1 59 59 MET CG C 13 32.68 . . 1 . . . . . . . . 4819 1 731 . 1 1 59 59 MET N N 15 112.87 . . 1 . . . . . . . . 4819 1 732 . 1 1 60 60 GLU H H 1 7.36 . . 1 . . . . . . . . 4819 1 733 . 1 1 60 60 GLU HA H 1 3.75 . . 1 . . . . . . . . 4819 1 734 . 1 1 60 60 GLU HB2 H 1 2.02 . . 2 . . . . . . . . 4819 1 735 . 1 1 60 60 GLU HB3 H 1 1.99 . . 2 . . . . . . . . 4819 1 736 . 1 1 60 60 GLU HG2 H 1 2.02 . . 2 . . . . . . . . 4819 1 737 . 1 1 60 60 GLU HG3 H 1 1.95 . . 2 . . . . . . . . 4819 1 738 . 1 1 60 60 GLU C C 13 175.53 . . 1 . . . . . . . . 4819 1 739 . 1 1 60 60 GLU CA C 13 57.59 . . 1 . . . . . . . . 4819 1 740 . 1 1 60 60 GLU CB C 13 26.44 . . 1 . . . . . . . . 4819 1 741 . 1 1 60 60 GLU CG C 13 36.94 . . 1 . . . . . . . . 4819 1 742 . 1 1 60 60 GLU CD C 13 185.05 . . 1 . . . . . . . . 4819 1 743 . 1 1 60 60 GLU N N 15 113.48 . . 1 . . . . . . . . 4819 1 744 . 1 1 61 61 HIS H H 1 8.04 . . 1 . . . . . . . . 4819 1 745 . 1 1 61 61 HIS HA H 1 5.16 . . 1 . . . . . . . . 4819 1 746 . 1 1 61 61 HIS HB2 H 1 2.49 . . 1 . . . . . . . . 4819 1 747 . 1 1 61 61 HIS HB3 H 1 3.27 . . 1 . . . . . . . . 4819 1 748 . 1 1 61 61 HIS HD2 H 1 6.28 . . 1 . . . . . . . . 4819 1 749 . 1 1 61 61 HIS HE1 H 1 7.73 . . 1 . . . . . . . . 4819 1 750 . 1 1 61 61 HIS C C 13 174.81 . . 1 . . . . . . . . 4819 1 751 . 1 1 61 61 HIS CA C 13 54.59 . . 1 . . . . . . . . 4819 1 752 . 1 1 61 61 HIS CB C 13 33.35 . . 1 . . . . . . . . 4819 1 753 . 1 1 61 61 HIS CD2 C 13 116.59 . . 1 . . . . . . . . 4819 1 754 . 1 1 61 61 HIS CE1 C 13 139.57 . . 1 . . . . . . . . 4819 1 755 . 1 1 61 61 HIS N N 15 117.17 . . 1 . . . . . . . . 4819 1 756 . 1 1 62 62 GLU H H 1 8.36 . . 1 . . . . . . . . 4819 1 757 . 1 1 62 62 GLU HA H 1 4.43 . . 1 . . . . . . . . 4819 1 758 . 1 1 62 62 GLU HB2 H 1 1.95 . . 1 . . . . . . . . 4819 1 759 . 1 1 62 62 GLU HB3 H 1 2.06 . . 1 . . . . . . . . 4819 1 760 . 1 1 62 62 GLU HG2 H 1 2.26 . . 2 . . . . . . . . 4819 1 761 . 1 1 62 62 GLU HG3 H 1 1.93 . . 2 . . . . . . . . 4819 1 762 . 1 1 62 62 GLU C C 13 175.50 . . 1 . . . . . . . . 4819 1 763 . 1 1 62 62 GLU CA C 13 55.74 . . 1 . . . . . . . . 4819 1 764 . 1 1 62 62 GLU CB C 13 32.51 . . 1 . . . . . . . . 4819 1 765 . 1 1 62 62 GLU CG C 13 35.96 . . 1 . . . . . . . . 4819 1 766 . 1 1 62 62 GLU CD C 13 183.26 . . 1 . . . . . . . . 4819 1 767 . 1 1 62 62 GLU N N 15 120.83 . . 1 . . . . . . . . 4819 1 768 . 1 1 63 63 LEU H H 1 8.95 . . 1 . . . . . . . . 4819 1 769 . 1 1 63 63 LEU HA H 1 4.79 . . 1 . . . . . . . . 4819 1 770 . 1 1 63 63 LEU HB2 H 1 1.65 . . 1 . . . . . . . . 4819 1 771 . 1 1 63 63 LEU HB3 H 1 2.16 . . 1 . . . . . . . . 4819 1 772 . 1 1 63 63 LEU HG H 1 1.57 . . 1 . . . . . . . . 4819 1 773 . 1 1 63 63 LEU HD11 H 1 1.10 . . 1 . . . . . . . . 4819 1 774 . 1 1 63 63 LEU HD12 H 1 1.10 . . 1 . . . . . . . . 4819 1 775 . 1 1 63 63 LEU HD13 H 1 1.10 . . 1 . . . . . . . . 4819 1 776 . 1 1 63 63 LEU HD21 H 1 1.04 . . 1 . . . . . . . . 4819 1 777 . 1 1 63 63 LEU HD22 H 1 1.04 . . 1 . . . . . . . . 4819 1 778 . 1 1 63 63 LEU HD23 H 1 1.04 . . 1 . . . . . . . . 4819 1 779 . 1 1 63 63 LEU C C 13 175.52 . . 1 . . . . . . . . 4819 1 780 . 1 1 63 63 LEU CA C 13 54.22 . . 1 . . . . . . . . 4819 1 781 . 1 1 63 63 LEU CB C 13 40.10 . . 1 . . . . . . . . 4819 1 782 . 1 1 63 63 LEU CG C 13 27.65 . . 1 . . . . . . . . 4819 1 783 . 1 1 63 63 LEU CD1 C 13 24.80 . . 1 . . . . . . . . 4819 1 784 . 1 1 63 63 LEU CD2 C 13 27.42 . . 1 . . . . . . . . 4819 1 785 . 1 1 63 63 LEU N N 15 128.94 . . 1 . . . . . . . . 4819 1 786 . 1 1 64 64 VAL H H 1 9.00 . . 1 . . . . . . . . 4819 1 787 . 1 1 64 64 VAL HA H 1 3.68 . . 1 . . . . . . . . 4819 1 788 . 1 1 64 64 VAL HB H 1 1.77 . . 1 . . . . . . . . 4819 1 789 . 1 1 64 64 VAL HG11 H 1 0.88 . . 1 . . . . . . . . 4819 1 790 . 1 1 64 64 VAL HG12 H 1 0.88 . . 1 . . . . . . . . 4819 1 791 . 1 1 64 64 VAL HG13 H 1 0.88 . . 1 . . . . . . . . 4819 1 792 . 1 1 64 64 VAL HG21 H 1 0.90 . . 1 . . . . . . . . 4819 1 793 . 1 1 64 64 VAL HG22 H 1 0.90 . . 1 . . . . . . . . 4819 1 794 . 1 1 64 64 VAL HG23 H 1 0.90 . . 1 . . . . . . . . 4819 1 795 . 1 1 64 64 VAL C C 13 176.42 . . 1 . . . . . . . . 4819 1 796 . 1 1 64 64 VAL CA C 13 65.24 . . 1 . . . . . . . . 4819 1 797 . 1 1 64 64 VAL CB C 13 32.72 . . 1 . . . . . . . . 4819 1 798 . 1 1 64 64 VAL CG1 C 13 22.33 . . 1 . . . . . . . . 4819 1 799 . 1 1 64 64 VAL CG2 C 13 21.68 . . 1 . . . . . . . . 4819 1 800 . 1 1 64 64 VAL N N 15 130.31 . . 1 . . . . . . . . 4819 1 801 . 1 1 65 65 ALA H H 1 7.84 . . 1 . . . . . . . . 4819 1 802 . 1 1 65 65 ALA HA H 1 4.62 . . 1 . . . . . . . . 4819 1 803 . 1 1 65 65 ALA HB1 H 1 1.12 . . 1 . . . . . . . . 4819 1 804 . 1 1 65 65 ALA HB2 H 1 1.12 . . 1 . . . . . . . . 4819 1 805 . 1 1 65 65 ALA HB3 H 1 1.12 . . 1 . . . . . . . . 4819 1 806 . 1 1 65 65 ALA C C 13 174.58 . . 1 . . . . . . . . 4819 1 807 . 1 1 65 65 ALA CA C 13 51.56 . . 1 . . . . . . . . 4819 1 808 . 1 1 65 65 ALA CB C 13 23.26 . . 1 . . . . . . . . 4819 1 809 . 1 1 65 65 ALA N N 15 116.44 . . 1 . . . . . . . . 4819 1 810 . 1 1 66 66 LYS H H 1 8.85 . . 1 . . . . . . . . 4819 1 811 . 1 1 66 66 LYS HA H 1 5.36 . . 1 . . . . . . . . 4819 1 812 . 1 1 66 66 LYS HB2 H 1 2.04 . . 1 . . . . . . . . 4819 1 813 . 1 1 66 66 LYS HB3 H 1 1.83 . . 1 . . . . . . . . 4819 1 814 . 1 1 66 66 LYS HG2 H 1 1.59 . . 1 . . . . . . . . 4819 1 815 . 1 1 66 66 LYS HG3 H 1 1.43 . . 1 . . . . . . . . 4819 1 816 . 1 1 66 66 LYS HD2 H 1 1.73 . . 1 . . . . . . . . 4819 1 817 . 1 1 66 66 LYS HD3 H 1 1.73 . . 1 . . . . . . . . 4819 1 818 . 1 1 66 66 LYS HE2 H 1 3.11 . . 1 . . . . . . . . 4819 1 819 . 1 1 66 66 LYS HE3 H 1 3.11 . . 1 . . . . . . . . 4819 1 820 . 1 1 66 66 LYS C C 13 173.76 . . 1 . . . . . . . . 4819 1 821 . 1 1 66 66 LYS CA C 13 55.07 . . 1 . . . . . . . . 4819 1 822 . 1 1 66 66 LYS CB C 13 36.50 . . 1 . . . . . . . . 4819 1 823 . 1 1 66 66 LYS CG C 13 23.51 . . 1 . . . . . . . . 4819 1 824 . 1 1 66 66 LYS CD C 13 29.80 . . 1 . . . . . . . . 4819 1 825 . 1 1 66 66 LYS CE C 13 42.39 . . 1 . . . . . . . . 4819 1 826 . 1 1 66 66 LYS N N 15 116.19 . . 1 . . . . . . . . 4819 1 827 . 1 1 67 67 GLU H H 1 9.12 . . 1 . . . . . . . . 4819 1 828 . 1 1 67 67 GLU HA H 1 4.73 . . 1 . . . . . . . . 4819 1 829 . 1 1 67 67 GLU HB2 H 1 1.88 . . 1 . . . . . . . . 4819 1 830 . 1 1 67 67 GLU HB3 H 1 2.11 . . 1 . . . . . . . . 4819 1 831 . 1 1 67 67 GLU HG2 H 1 2.32 . . 2 . . . . . . . . 4819 1 832 . 1 1 67 67 GLU HG3 H 1 2.25 . . 2 . . . . . . . . 4819 1 833 . 1 1 67 67 GLU C C 13 176.20 . . 1 . . . . . . . . 4819 1 834 . 1 1 67 67 GLU CA C 13 56.18 . . 1 . . . . . . . . 4819 1 835 . 1 1 67 67 GLU CB C 13 32.51 . . 1 . . . . . . . . 4819 1 836 . 1 1 67 67 GLU CG C 13 36.67 . . 1 . . . . . . . . 4819 1 837 . 1 1 67 67 GLU CD C 13 183.85 . . 1 . . . . . . . . 4819 1 838 . 1 1 67 67 GLU N N 15 123.72 . . 1 . . . . . . . . 4819 1 839 . 1 1 68 68 THR H H 1 8.80 . . 1 . . . . . . . . 4819 1 840 . 1 1 68 68 THR HA H 1 4.87 . . 1 . . . . . . . . 4819 1 841 . 1 1 68 68 THR HB H 1 4.48 . . 1 . . . . . . . . 4819 1 842 . 1 1 68 68 THR HG21 H 1 0.94 . . 1 . . . . . . . . 4819 1 843 . 1 1 68 68 THR HG22 H 1 0.94 . . 1 . . . . . . . . 4819 1 844 . 1 1 68 68 THR HG23 H 1 0.94 . . 1 . . . . . . . . 4819 1 845 . 1 1 68 68 THR C C 13 173.70 . . 1 . . . . . . . . 4819 1 846 . 1 1 68 68 THR CA C 13 60.14 . . 1 . . . . . . . . 4819 1 847 . 1 1 68 68 THR CB C 13 69.19 . . 1 . . . . . . . . 4819 1 848 . 1 1 68 68 THR CG2 C 13 22.08 . . 1 . . . . . . . . 4819 1 849 . 1 1 69 69 ASP H H 1 8.44 . . 1 . . . . . . . . 4819 1 850 . 1 1 69 69 ASP HA H 1 4.79 . . 1 . . . . . . . . 4819 1 851 . 1 1 69 69 ASP HB2 H 1 2.73 . . 1 . . . . . . . . 4819 1 852 . 1 1 69 69 ASP HB3 H 1 2.83 . . 1 . . . . . . . . 4819 1 853 . 1 1 69 69 ASP C C 13 175.55 . . 1 . . . . . . . . 4819 1 854 . 1 1 69 69 ASP CA C 13 55.37 . . 1 . . . . . . . . 4819 1 855 . 1 1 69 69 ASP CB C 13 41.12 . . 1 . . . . . . . . 4819 1 856 . 1 1 69 69 ASP CG C 13 181.05 . . 1 . . . . . . . . 4819 1 857 . 1 1 69 69 ASP N N 15 122.28 . . 1 . . . . . . . . 4819 1 858 . 1 1 70 70 GLY H H 1 7.80 . . 1 . . . . . . . . 4819 1 859 . 1 1 70 70 GLY HA2 H 1 4.08 . . 1 . . . . . . . . 4819 1 860 . 1 1 70 70 GLY HA3 H 1 3.81 . . 1 . . . . . . . . 4819 1 861 . 1 1 70 70 GLY C C 13 170.66 . . 1 . . . . . . . . 4819 1 862 . 1 1 70 70 GLY CA C 13 44.18 . . 1 . . . . . . . . 4819 1 863 . 1 1 70 70 GLY N N 15 108.46 . . 1 . . . . . . . . 4819 1 864 . 1 1 71 71 LEU H H 1 7.84 . . 1 . . . . . . . . 4819 1 865 . 1 1 71 71 LEU HA H 1 4.00 . . 1 . . . . . . . . 4819 1 866 . 1 1 71 71 LEU HB2 H 1 1.18 . . 1 . . . . . . . . 4819 1 867 . 1 1 71 71 LEU HB3 H 1 1.53 . . 1 . . . . . . . . 4819 1 868 . 1 1 71 71 LEU HG H 1 1.40 . . 1 . . . . . . . . 4819 1 869 . 1 1 71 71 LEU HD11 H 1 0.83 . . 1 . . . . . . . . 4819 1 870 . 1 1 71 71 LEU HD12 H 1 0.83 . . 1 . . . . . . . . 4819 1 871 . 1 1 71 71 LEU HD13 H 1 0.83 . . 1 . . . . . . . . 4819 1 872 . 1 1 71 71 LEU HD21 H 1 0.34 . . 1 . . . . . . . . 4819 1 873 . 1 1 71 71 LEU HD22 H 1 0.34 . . 1 . . . . . . . . 4819 1 874 . 1 1 71 71 LEU HD23 H 1 0.34 . . 1 . . . . . . . . 4819 1 875 . 1 1 71 71 LEU C C 13 175.50 . . 1 . . . . . . . . 4819 1 876 . 1 1 71 71 LEU CA C 13 52.46 . . 1 . . . . . . . . 4819 1 877 . 1 1 71 71 LEU CB C 13 43.54 . . 1 . . . . . . . . 4819 1 878 . 1 1 71 71 LEU CG C 13 27.15 . . 1 . . . . . . . . 4819 1 879 . 1 1 71 71 LEU CD1 C 13 25.46 . . 1 . . . . . . . . 4819 1 880 . 1 1 71 71 LEU CD2 C 13 23.49 . . 1 . . . . . . . . 4819 1 881 . 1 1 71 71 LEU N N 15 116.99 . . 1 . . . . . . . . 4819 1 882 . 1 1 72 72 PRO HA H 1 4.05 . . 1 . . . . . . . . 4819 1 883 . 1 1 72 72 PRO HB2 H 1 2.01 . . 1 . . . . . . . . 4819 1 884 . 1 1 72 72 PRO HB3 H 1 2.22 . . 1 . . . . . . . . 4819 1 885 . 1 1 72 72 PRO HG2 H 1 1.89 . . 2 . . . . . . . . 4819 1 886 . 1 1 72 72 PRO HG3 H 1 1.69 . . 2 . . . . . . . . 4819 1 887 . 1 1 72 72 PRO HD2 H 1 3.60 . . 2 . . . . . . . . 4819 1 888 . 1 1 72 72 PRO HD3 H 1 3.30 . . 2 . . . . . . . . 4819 1 889 . 1 1 72 72 PRO C C 13 175.18 . . 1 . . . . . . . . 4819 1 890 . 1 1 72 72 PRO CA C 13 62.50 . . 1 . . . . . . . . 4819 1 891 . 1 1 72 72 PRO CB C 13 34.06 . . 1 . . . . . . . . 4819 1 892 . 1 1 72 72 PRO CG C 13 24.17 . . 1 . . . . . . . . 4819 1 893 . 1 1 72 72 PRO CD C 13 50.01 . . 1 . . . . . . . . 4819 1 894 . 1 1 73 73 TYR H H 1 8.32 . . 1 . . . . . . . . 4819 1 895 . 1 1 73 73 TYR HA H 1 4.95 . . 1 . . . . . . . . 4819 1 896 . 1 1 73 73 TYR HB2 H 1 2.62 . . 1 . . . . . . . . 4819 1 897 . 1 1 73 73 TYR HB3 H 1 2.95 . . 1 . . . . . . . . 4819 1 898 . 1 1 73 73 TYR HD1 H 1 6.80 . . 1 . . . . . . . . 4819 1 899 . 1 1 73 73 TYR HD2 H 1 6.80 . . 1 . . . . . . . . 4819 1 900 . 1 1 73 73 TYR HE1 H 1 6.43 . . 1 . . . . . . . . 4819 1 901 . 1 1 73 73 TYR HE2 H 1 6.43 . . 1 . . . . . . . . 4819 1 902 . 1 1 73 73 TYR C C 13 176.17 . . 1 . . . . . . . . 4819 1 903 . 1 1 73 73 TYR CA C 13 55.97 . . 1 . . . . . . . . 4819 1 904 . 1 1 73 73 TYR CB C 13 39.26 . . 1 . . . . . . . . 4819 1 905 . 1 1 73 73 TYR CD1 C 13 132.09 . . 1 . . . . . . . . 4819 1 906 . 1 1 73 73 TYR CD2 C 13 132.09 . . 1 . . . . . . . . 4819 1 907 . 1 1 73 73 TYR CE1 C 13 118.37 . . 1 . . . . . . . . 4819 1 908 . 1 1 73 73 TYR CE2 C 13 118.37 . . 1 . . . . . . . . 4819 1 909 . 1 1 73 73 TYR N N 15 120.31 . . 1 . . . . . . . . 4819 1 910 . 1 1 74 74 ARG H H 1 7.97 . . 1 . . . . . . . . 4819 1 911 . 1 1 74 74 ARG HA H 1 5.59 . . 1 . . . . . . . . 4819 1 912 . 1 1 74 74 ARG HB2 H 1 1.27 . . 1 . . . . . . . . 4819 1 913 . 1 1 74 74 ARG HB3 H 1 1.05 . . 1 . . . . . . . . 4819 1 914 . 1 1 74 74 ARG HG2 H 1 1.47 . . 1 . . . . . . . . 4819 1 915 . 1 1 74 74 ARG HG3 H 1 1.59 . . 1 . . . . . . . . 4819 1 916 . 1 1 74 74 ARG HD2 H 1 2.99 . . 2 . . . . . . . . 4819 1 917 . 1 1 74 74 ARG HD3 H 1 2.63 . . 2 . . . . . . . . 4819 1 918 . 1 1 74 74 ARG C C 13 174.59 . . 1 . . . . . . . . 4819 1 919 . 1 1 74 74 ARG CA C 13 54.74 . . 1 . . . . . . . . 4819 1 920 . 1 1 74 74 ARG CB C 13 35.33 . . 1 . . . . . . . . 4819 1 921 . 1 1 74 74 ARG CG C 13 27.34 . . 1 . . . . . . . . 4819 1 922 . 1 1 74 74 ARG CD C 13 43.90 . . 1 . . . . . . . . 4819 1 923 . 1 1 74 74 ARG N N 15 117.27 . . 1 . . . . . . . . 4819 1 924 . 1 1 75 75 TYR H H 1 8.84 . . 1 . . . . . . . . 4819 1 925 . 1 1 75 75 TYR HA H 1 5.09 . . 1 . . . . . . . . 4819 1 926 . 1 1 75 75 TYR HB2 H 1 2.91 . . 1 . . . . . . . . 4819 1 927 . 1 1 75 75 TYR HB3 H 1 2.83 . . 1 . . . . . . . . 4819 1 928 . 1 1 75 75 TYR HD1 H 1 6.89 . . 1 . . . . . . . . 4819 1 929 . 1 1 75 75 TYR HD2 H 1 6.89 . . 1 . . . . . . . . 4819 1 930 . 1 1 75 75 TYR HE1 H 1 6.44 . . 1 . . . . . . . . 4819 1 931 . 1 1 75 75 TYR HE2 H 1 6.44 . . 1 . . . . . . . . 4819 1 932 . 1 1 75 75 TYR C C 13 173.29 . . 1 . . . . . . . . 4819 1 933 . 1 1 75 75 TYR CA C 13 56.25 . . 1 . . . . . . . . 4819 1 934 . 1 1 75 75 TYR CB C 13 42.32 . . 1 . . . . . . . . 4819 1 935 . 1 1 75 75 TYR CD1 C 13 133.30 . . 1 . . . . . . . . 4819 1 936 . 1 1 75 75 TYR CD2 C 13 133.30 . . 1 . . . . . . . . 4819 1 937 . 1 1 75 75 TYR CE1 C 13 117.08 . . 1 . . . . . . . . 4819 1 938 . 1 1 75 75 TYR CE2 C 13 117.08 . . 1 . . . . . . . . 4819 1 939 . 1 1 75 75 TYR N N 15 117.08 . . 1 . . . . . . . . 4819 1 940 . 1 1 76 76 LEU H H 1 9.18 . . 1 . . . . . . . . 4819 1 941 . 1 1 76 76 LEU HA H 1 5.75 . . 1 . . . . . . . . 4819 1 942 . 1 1 76 76 LEU HB2 H 1 1.21 . . 1 . . . . . . . . 4819 1 943 . 1 1 76 76 LEU HB3 H 1 1.94 . . 1 . . . . . . . . 4819 1 944 . 1 1 76 76 LEU HG H 1 1.29 . . 1 . . . . . . . . 4819 1 945 . 1 1 76 76 LEU HD11 H 1 0.98 . . 1 . . . . . . . . 4819 1 946 . 1 1 76 76 LEU HD12 H 1 0.98 . . 1 . . . . . . . . 4819 1 947 . 1 1 76 76 LEU HD13 H 1 0.98 . . 1 . . . . . . . . 4819 1 948 . 1 1 76 76 LEU HD21 H 1 0.77 . . 1 . . . . . . . . 4819 1 949 . 1 1 76 76 LEU HD22 H 1 0.77 . . 1 . . . . . . . . 4819 1 950 . 1 1 76 76 LEU HD23 H 1 0.77 . . 1 . . . . . . . . 4819 1 951 . 1 1 76 76 LEU C C 13 175.17 . . 1 . . . . . . . . 4819 1 952 . 1 1 76 76 LEU CA C 13 53.42 . . 1 . . . . . . . . 4819 1 953 . 1 1 76 76 LEU CB C 13 45.64 . . 1 . . . . . . . . 4819 1 954 . 1 1 76 76 LEU CG C 13 27.98 . . 1 . . . . . . . . 4819 1 955 . 1 1 76 76 LEU CD1 C 13 24.50 . . 1 . . . . . . . . 4819 1 956 . 1 1 76 76 LEU CD2 C 13 26.49 . . 1 . . . . . . . . 4819 1 957 . 1 1 76 76 LEU N N 15 125.85 . . 1 . . . . . . . . 4819 1 958 . 1 1 77 77 ILE H H 1 9.37 . . 1 . . . . . . . . 4819 1 959 . 1 1 77 77 ILE HA H 1 5.44 . . 1 . . . . . . . . 4819 1 960 . 1 1 77 77 ILE HB H 1 1.81 . . 1 . . . . . . . . 4819 1 961 . 1 1 77 77 ILE HG12 H 1 1.14 . . 1 . . . . . . . . 4819 1 962 . 1 1 77 77 ILE HG13 H 1 1.50 . . 1 . . . . . . . . 4819 1 963 . 1 1 77 77 ILE HG21 H 1 0.79 . . 1 . . . . . . . . 4819 1 964 . 1 1 77 77 ILE HG22 H 1 0.79 . . 1 . . . . . . . . 4819 1 965 . 1 1 77 77 ILE HG23 H 1 0.79 . . 1 . . . . . . . . 4819 1 966 . 1 1 77 77 ILE HD11 H 1 0.69 . . 1 . . . . . . . . 4819 1 967 . 1 1 77 77 ILE HD12 H 1 0.69 . . 1 . . . . . . . . 4819 1 968 . 1 1 77 77 ILE HD13 H 1 0.69 . . 1 . . . . . . . . 4819 1 969 . 1 1 77 77 ILE C C 13 174.04 . . 1 . . . . . . . . 4819 1 970 . 1 1 77 77 ILE CA C 13 59.01 . . 1 . . . . . . . . 4819 1 971 . 1 1 77 77 ILE CB C 13 41.72 . . 1 . . . . . . . . 4819 1 972 . 1 1 77 77 ILE CG1 C 13 27.46 . . 1 . . . . . . . . 4819 1 973 . 1 1 77 77 ILE CG2 C 13 17.46 . . 1 . . . . . . . . 4819 1 974 . 1 1 77 77 ILE CD1 C 13 14.91 . . 1 . . . . . . . . 4819 1 975 . 1 1 77 77 ILE N N 15 124.44 . . 1 . . . . . . . . 4819 1 976 . 1 1 78 78 ARG H H 1 9.51 . . 1 . . . . . . . . 4819 1 977 . 1 1 78 78 ARG HA H 1 5.16 . . 1 . . . . . . . . 4819 1 978 . 1 1 78 78 ARG HB2 H 1 1.87 . . 2 . . . . . . . . 4819 1 979 . 1 1 78 78 ARG HB3 H 1 1.35 . . 2 . . . . . . . . 4819 1 980 . 1 1 78 78 ARG HG2 H 1 1.38 . . 1 . . . . . . . . 4819 1 981 . 1 1 78 78 ARG HG3 H 1 1.38 . . 1 . . . . . . . . 4819 1 982 . 1 1 78 78 ARG HD2 H 1 3.25 . . 1 . . . . . . . . 4819 1 983 . 1 1 78 78 ARG HD3 H 1 3.25 . . 1 . . . . . . . . 4819 1 984 . 1 1 78 78 ARG C C 13 175.85 . . 1 . . . . . . . . 4819 1 985 . 1 1 78 78 ARG CA C 13 54.08 . . 1 . . . . . . . . 4819 1 986 . 1 1 78 78 ARG CB C 13 33.80 . . 1 . . . . . . . . 4819 1 987 . 1 1 78 78 ARG CG C 13 26.90 . . 1 . . . . . . . . 4819 1 988 . 1 1 78 78 ARG CD C 13 43.41 . . 1 . . . . . . . . 4819 1 989 . 1 1 78 78 ARG N N 15 125.21 . . 1 . . . . . . . . 4819 1 990 . 1 1 79 79 LYS H H 1 8.53 . . 1 . . . . . . . . 4819 1 991 . 1 1 79 79 LYS HA H 1 4.25 . . 1 . . . . . . . . 4819 1 992 . 1 1 79 79 LYS HB2 H 1 2.12 . . 2 . . . . . . . . 4819 1 993 . 1 1 79 79 LYS HB3 H 1 1.41 . . 2 . . . . . . . . 4819 1 994 . 1 1 79 79 LYS HG2 H 1 1.82 . . 2 . . . . . . . . 4819 1 995 . 1 1 79 79 LYS HG3 H 1 1.25 . . 2 . . . . . . . . 4819 1 996 . 1 1 79 79 LYS HD2 H 1 1.70 . . 2 . . . . . . . . 4819 1 997 . 1 1 79 79 LYS HD3 H 1 1.25 . . 2 . . . . . . . . 4819 1 998 . 1 1 79 79 LYS HE2 H 1 3.02 . . 2 . . . . . . . . 4819 1 999 . 1 1 79 79 LYS HE3 H 1 2.93 . . 2 . . . . . . . . 4819 1 1000 . 1 1 79 79 LYS C C 13 177.69 . . 1 . . . . . . . . 4819 1 1001 . 1 1 79 79 LYS CA C 13 57.30 . . 1 . . . . . . . . 4819 1 1002 . 1 1 79 79 LYS CB C 13 33.03 . . 1 . . . . . . . . 4819 1 1003 . 1 1 79 79 LYS CG C 13 26.50 . . 1 . . . . . . . . 4819 1 1004 . 1 1 79 79 LYS CD C 13 29.90 . . 1 . . . . . . . . 4819 1 1005 . 1 1 79 79 LYS CE C 13 42.71 . . 1 . . . . . . . . 4819 1 1006 . 1 1 79 79 LYS N N 15 127.64 . . 1 . . . . . . . . 4819 1 1007 . 1 1 80 80 GLY HA2 H 1 4.36 . . 2 . . . . . . . . 4819 1 1008 . 1 1 80 80 GLY HA3 H 1 4.14 . . 2 . . . . . . . . 4819 1 1009 . 1 1 80 80 GLY C C 13 173.13 . . 1 . . . . . . . . 4819 1 1010 . 1 1 80 80 GLY CA C 13 45.39 . . 1 . . . . . . . . 4819 1 1011 . 1 1 81 81 GLY H H 1 7.88 . . 1 . . . . . . . . 4819 1 1012 . 1 1 81 81 GLY HA2 H 1 3.96 . . 2 . . . . . . . . 4819 1 1013 . 1 1 81 81 GLY HA3 H 1 3.73 . . 2 . . . . . . . . 4819 1 1014 . 1 1 81 81 GLY C C 13 179.21 . . 1 . . . . . . . . 4819 1 1015 . 1 1 81 81 GLY CA C 13 45.98 . . 1 . . . . . . . . 4819 1 1016 . 1 1 81 81 GLY N N 15 113.09 . . 1 . . . . . . . . 4819 1 stop_ save_