data_4116 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4116 _Entry.Title ; 1H, 13C and 15N Chemical Shift Assignments of the Colicin E9 Immunity Protein from Escherichia coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1997-03-04 _Entry.Accession_date 1997-03-04 _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 ; The data reported here represents the immunity protein Im9 (residues 3-86) of colicin E9 DNase. This study reports 1H, 13C and 15N chemical shifts for backbone and sidechains obtained from triple-resonance data. ; _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 R. Boetzel . . . 4116 2 M. Czisch . . . 4116 3 C. MacDonald . J. . 4116 4 R. Kaptein . . . 4116 5 A. Hemmings . M. . 4116 6 Richard James . . . 4116 7 Colin Kleanthous . . . 4116 8 Geoffrey Moore . R. . 4116 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4116 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 239 4116 '15N chemical shifts' 86 4116 '1H chemical shifts' 522 4116 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 . . 1999-02-24 . original author 'original release' 4116 1 . . 2006-10-27 . update BMRB 'add the relationship loop' 4116 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4115 'homologous Immunity protein Im9 bound to DNase domain of colicin E9' 4116 BMRB 4293 'DNase domain of non cognate binding partner E9' 4116 BMRB 4352 'Im9 bound DNase domain of non cognate binding partner E9' 4116 BMRB 7323 'Colicin immunity protein IM2' 4116 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4116 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99109973 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Boetzel, R., Czisch, M., MacDonald, C. J., Kaptein, R., Hemmings, A.M., James, R., Kleanthous, C., Moore, G. R., "Assignment of 1H, 13C and 15N Signals of the Inhibitor Protein Im9 Bound to the DNase Domain of Colicin E9," J. Biomol. NMR 12, 567-568 (1998). ; _Citation.Title ; Assignment of 1H, 13C and 15N Signals of the Inhibitor Protein Im9 Bound to the DNase Domain of Colicin E9 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 4 _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 567 _Citation.Page_last 568 _Citation.Year 1998 _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 R. Boetzel . . . 4116 1 2 M. Czisch . . . 4116 1 3 C. MacDonald . J. . 4116 1 4 R. Kaptein . . . 4116 1 5 A. Hemmings . M. . 4116 1 6 Richard James . . . 4116 1 7 Colin Kleanthous . . . 4116 1 8 Geoffrey Moore . R. . 4116 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID colicin 4116 1 'immunity protein' 4116 1 NMR 4116 1 'nuclear magnetic resonance' 4116 1 protein 4116 1 'protein-protein interaction' 4116 1 'resonance assignments' 4116 1 'secondary structure' 4116 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_IM9 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_IM9 _Assembly.Entry_ID 4116 _Assembly.ID 1 _Assembly.Name 'Im9 immunity protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4116 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 IM9 1 $IM9 . . . native . . . . . 4116 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID IM9 abbreviation 4116 1 'Im9 immunity protein' system 4116 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IM9 _Entity.Sf_category entity _Entity.Sf_framecode IM9 _Entity.Entry_ID 4116 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Im9 immunity protein' _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 ; MELKHSISDYTEAEFLQLVT TICNADTSSEEELVKLVTHF EEMTEHPSGSDLIYYPKEGD DDSPSGIVNTVKQWRAANGK SGFKQG ; _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 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4115 . IM9 . . . . . 100.00 86 100.00 100.00 3.68e-56 . . . . 4116 1 2 no PDB 1BXI . "Crystal Structure Of The Escherichia Coli Colicin E9 Dnase Domain With Its Cognate Immunity Protein Im9" . . . . . 100.00 86 97.67 98.84 1.99e-54 . . . . 4116 1 3 no PDB 1E0H . "Inhibitor Protein Im9 Bound To Its Partner E9 Dnase" . . . . . 100.00 86 100.00 100.00 3.68e-56 . . . . 4116 1 4 no PDB 1EMV . "Crystal Structure Of Colicin E9 Dnase Domain With Its Cognate Immunity Protein Im9 (1.7 Angstroms)" . . . . . 100.00 86 100.00 100.00 3.68e-56 . . . . 4116 1 5 no PDB 1FR2 . "Crystal Structure Of The E9 Dnase Domain With A Mutant Immunity Protein Im9(E41a)" . . . . . 100.00 86 98.84 98.84 1.97e-55 . . . . 4116 1 6 no PDB 1IMP . "Colicin E9 Immunity Protein Im9, Nmr, 21 Structures" . . . . . 98.84 86 100.00 100.00 4.32e-55 . . . . 4116 1 7 no PDB 1IMQ . "Colicin E9 Immunity Protein Im9, Nmr, Minimized Average Structure" . . . . . 100.00 86 100.00 100.00 3.68e-56 . . . . 4116 1 8 no PDB 2GYK . "Crystal Structure Of The Complex Of The Colicin E9 Dnase Domain With A Mutant Immunity Protein, Imme9 (D51a)" . . . . . 100.00 86 98.84 98.84 3.75e-55 . . . . 4116 1 9 no PDB 2GZE . "Crystal Structure Of The E9 Dnase Domain With A Mutant Immunity Protein Im9 (Y55a)" . . . . . 100.00 86 98.84 98.84 5.09e-55 . . . . 4116 1 10 no PDB 2GZF . "Crystal Structure Of The E9 Dnase Domain With A Mutant Immunity Protein Im9 (Y54f)" . . . . . 100.00 86 98.84 100.00 1.36e-55 . . . . 4116 1 11 no PDB 2GZG . "Crystal Structure Of The E9 Dnase Domain With A Mutant Immunity Protein Im9 (Y55f)" . . . . . 100.00 86 98.84 100.00 1.36e-55 . . . . 4116 1 12 no PDB 2GZI . "Crystal Structure Of The E9 Dnase Domain With A Mutant Immunity Protein Im9 (V34a)" . . . . . 100.00 86 98.84 98.84 1.36e-55 . . . . 4116 1 13 no PDB 2GZJ . "Crystal Structure Of The E9 Dnase Domain With A Mutant Immunity Protein Im9 (D51a)" . . . . . 100.00 86 98.84 98.84 3.75e-55 . . . . 4116 1 14 no PDB 2K5X . "Chemical Shift Structure Of Colicin E9 Dnase Domain With Its Cognate Immunity Protein Im9" . . . . . 100.00 86 100.00 100.00 3.68e-56 . . . . 4116 1 15 no PDB 2VLN . "N75a Mutant Of E9 Dnase Domain In Complex With Im9" . . . . . 100.00 86 100.00 100.00 3.68e-56 . . . . 4116 1 16 no PDB 2VLO . "K97a Mutant Of E9 Dnase Domain In Complex With Im9" . . . . . 100.00 93 100.00 100.00 5.44e-56 . . . . 4116 1 17 no PDB 2VLP . "R54a Mutant Of E9 Dnase Domain In Complex With Im9" . . . . . 100.00 86 100.00 100.00 3.68e-56 . . . . 4116 1 18 no PDB 2VLQ . "F86a Mutant Of E9 Dnase Domain In Complex With Im9" . . . . . 100.00 86 100.00 100.00 3.68e-56 . . . . 4116 1 19 no EMBL CAA33863 . "E9 immunity protein (86 AA) [Plasmid ColE9-J]" . . . . . 100.00 86 100.00 100.00 3.68e-56 . . . . 4116 1 20 no GB AAA23076 . "E9imm peptide [Plasmid ColE9]" . . . . . 100.00 86 98.84 100.00 1.53e-55 . . . . 4116 1 21 no GB ACM07431 . "colicin E9 immunity protein [Escherichia coli]" . . . . . 100.00 86 100.00 100.00 3.68e-56 . . . . 4116 1 22 no REF WP_012644887 . "colicin E9 immunity protein [Escherichia coli]" . . . . . 100.00 86 100.00 100.00 3.68e-56 . . . . 4116 1 23 no REF YP_002533538 . "colicin E9 immunity protein [Escherichia coli]" . . . . . 100.00 86 100.00 100.00 3.68e-56 . . . . 4116 1 24 no SP P13479 . "RecName: Full=Colicin-E9 immunity protein; AltName: Full=ImmE9; AltName: Full=Microcin-E9 immunity protein" . . . . . 100.00 86 100.00 100.00 3.68e-56 . . . . 4116 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID IM9 abbreviation 4116 1 'Im9 immunity protein' common 4116 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 . 4116 1 2 . GLU . 4116 1 3 . LEU . 4116 1 4 . LYS . 4116 1 5 . HIS . 4116 1 6 . SER . 4116 1 7 . ILE . 4116 1 8 . SER . 4116 1 9 . ASP . 4116 1 10 . TYR . 4116 1 11 . THR . 4116 1 12 . GLU . 4116 1 13 . ALA . 4116 1 14 . GLU . 4116 1 15 . PHE . 4116 1 16 . LEU . 4116 1 17 . GLN . 4116 1 18 . LEU . 4116 1 19 . VAL . 4116 1 20 . THR . 4116 1 21 . THR . 4116 1 22 . ILE . 4116 1 23 . CYS . 4116 1 24 . ASN . 4116 1 25 . ALA . 4116 1 26 . ASP . 4116 1 27 . THR . 4116 1 28 . SER . 4116 1 29 . SER . 4116 1 30 . GLU . 4116 1 31 . GLU . 4116 1 32 . GLU . 4116 1 33 . LEU . 4116 1 34 . VAL . 4116 1 35 . LYS . 4116 1 36 . LEU . 4116 1 37 . VAL . 4116 1 38 . THR . 4116 1 39 . HIS . 4116 1 40 . PHE . 4116 1 41 . GLU . 4116 1 42 . GLU . 4116 1 43 . MET . 4116 1 44 . THR . 4116 1 45 . GLU . 4116 1 46 . HIS . 4116 1 47 . PRO . 4116 1 48 . SER . 4116 1 49 . GLY . 4116 1 50 . SER . 4116 1 51 . ASP . 4116 1 52 . LEU . 4116 1 53 . ILE . 4116 1 54 . TYR . 4116 1 55 . TYR . 4116 1 56 . PRO . 4116 1 57 . LYS . 4116 1 58 . GLU . 4116 1 59 . GLY . 4116 1 60 . ASP . 4116 1 61 . ASP . 4116 1 62 . ASP . 4116 1 63 . SER . 4116 1 64 . PRO . 4116 1 65 . SER . 4116 1 66 . GLY . 4116 1 67 . ILE . 4116 1 68 . VAL . 4116 1 69 . ASN . 4116 1 70 . THR . 4116 1 71 . VAL . 4116 1 72 . LYS . 4116 1 73 . GLN . 4116 1 74 . TRP . 4116 1 75 . ARG . 4116 1 76 . ALA . 4116 1 77 . ALA . 4116 1 78 . ASN . 4116 1 79 . GLY . 4116 1 80 . LYS . 4116 1 81 . SER . 4116 1 82 . GLY . 4116 1 83 . PHE . 4116 1 84 . LYS . 4116 1 85 . GLN . 4116 1 86 . GLY . 4116 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 4116 1 . GLU 2 2 4116 1 . LEU 3 3 4116 1 . LYS 4 4 4116 1 . HIS 5 5 4116 1 . SER 6 6 4116 1 . ILE 7 7 4116 1 . SER 8 8 4116 1 . ASP 9 9 4116 1 . TYR 10 10 4116 1 . THR 11 11 4116 1 . GLU 12 12 4116 1 . ALA 13 13 4116 1 . GLU 14 14 4116 1 . PHE 15 15 4116 1 . LEU 16 16 4116 1 . GLN 17 17 4116 1 . LEU 18 18 4116 1 . VAL 19 19 4116 1 . THR 20 20 4116 1 . THR 21 21 4116 1 . ILE 22 22 4116 1 . CYS 23 23 4116 1 . ASN 24 24 4116 1 . ALA 25 25 4116 1 . ASP 26 26 4116 1 . THR 27 27 4116 1 . SER 28 28 4116 1 . SER 29 29 4116 1 . GLU 30 30 4116 1 . GLU 31 31 4116 1 . GLU 32 32 4116 1 . LEU 33 33 4116 1 . VAL 34 34 4116 1 . LYS 35 35 4116 1 . LEU 36 36 4116 1 . VAL 37 37 4116 1 . THR 38 38 4116 1 . HIS 39 39 4116 1 . PHE 40 40 4116 1 . GLU 41 41 4116 1 . GLU 42 42 4116 1 . MET 43 43 4116 1 . THR 44 44 4116 1 . GLU 45 45 4116 1 . HIS 46 46 4116 1 . PRO 47 47 4116 1 . SER 48 48 4116 1 . GLY 49 49 4116 1 . SER 50 50 4116 1 . ASP 51 51 4116 1 . LEU 52 52 4116 1 . ILE 53 53 4116 1 . TYR 54 54 4116 1 . TYR 55 55 4116 1 . PRO 56 56 4116 1 . LYS 57 57 4116 1 . GLU 58 58 4116 1 . GLY 59 59 4116 1 . ASP 60 60 4116 1 . ASP 61 61 4116 1 . ASP 62 62 4116 1 . SER 63 63 4116 1 . PRO 64 64 4116 1 . SER 65 65 4116 1 . GLY 66 66 4116 1 . ILE 67 67 4116 1 . VAL 68 68 4116 1 . ASN 69 69 4116 1 . THR 70 70 4116 1 . VAL 71 71 4116 1 . LYS 72 72 4116 1 . GLN 73 73 4116 1 . TRP 74 74 4116 1 . ARG 75 75 4116 1 . ALA 76 76 4116 1 . ALA 77 77 4116 1 . ASN 78 78 4116 1 . GLY 79 79 4116 1 . LYS 80 80 4116 1 . SER 81 81 4116 1 . GLY 82 82 4116 1 . PHE 83 83 4116 1 . LYS 84 84 4116 1 . GLN 85 85 4116 1 . GLY 86 86 4116 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 4116 _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 $IM9 . 562 organism . 'Escherichia coli' E.coli . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 4116 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 4116 _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 $IM9 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli JM1 . . . . . . . . . . . . . . . . . . . . . . 4116 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4116 _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 'Im9 immunity protein' '[U-100%15N; U-100%13C]' . . 1 $IM9 . . 4.0 . . mM . . . . 4116 1 2 H2O . . . . . . . 90 . . % . . . . 4116 1 3 D2O . . . . . . . 10 . . % . . . . 4116 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4116 _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 6.2 . pH 4116 1 temperature 298 . K 4116 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4116 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer . _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4116 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer . _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4116 _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_one . . . 500 . . . 4116 1 2 spectrometer_two . . . 600 . . . 4116 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 4116 _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_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4116 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4116 _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 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 4116 1 H 1 dioxane 'methylene protons' . . . . ppm 3.77 internal direct . . . . 1 $entry_citation . . 1 $entry_citation 4116 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4116 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_assignment_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_one _Assigned_chem_shift_list.Entry_ID 4116 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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_one . 4116 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 3 3 LEU H H 1 8.51 . . 1 . . . . . . . . 4116 1 2 . 1 1 3 3 LEU N N 15 125.40 . . 1 . . . . . . . . 4116 1 3 . 1 1 3 3 LEU HA H 1 4.45 . . 1 . . . . . . . . 4116 1 4 . 1 1 3 3 LEU CA C 13 52.42 . . 1 . . . . . . . . 4116 1 5 . 1 1 3 3 LEU HB2 H 1 1.57 . . 1 . . . . . . . . 4116 1 6 . 1 1 3 3 LEU HB3 H 1 0.91 . . 1 . . . . . . . . 4116 1 7 . 1 1 3 3 LEU CB C 13 39.18 . . 1 . . . . . . . . 4116 1 8 . 1 1 3 3 LEU HG H 1 1.59 . . 1 . . . . . . . . 4116 1 9 . 1 1 3 3 LEU HD11 H 1 0.65 . . 1 . . . . . . . . 4116 1 10 . 1 1 3 3 LEU HD12 H 1 0.65 . . 1 . . . . . . . . 4116 1 11 . 1 1 3 3 LEU HD13 H 1 0.65 . . 1 . . . . . . . . 4116 1 12 . 1 1 3 3 LEU HD21 H 1 0.56 . . 1 . . . . . . . . 4116 1 13 . 1 1 3 3 LEU HD22 H 1 0.56 . . 1 . . . . . . . . 4116 1 14 . 1 1 3 3 LEU HD23 H 1 0.56 . . 1 . . . . . . . . 4116 1 15 . 1 1 3 3 LEU CD1 C 13 22.65 . . 1 . . . . . . . . 4116 1 16 . 1 1 3 3 LEU CD2 C 13 20.11 . . 1 . . . . . . . . 4116 1 17 . 1 1 4 4 LYS H H 1 7.91 . . 1 . . . . . . . . 4116 1 18 . 1 1 4 4 LYS N N 15 122.80 . . 1 . . . . . . . . 4116 1 19 . 1 1 4 4 LYS HA H 1 4.35 . . 1 . . . . . . . . 4116 1 20 . 1 1 4 4 LYS CA C 13 53.33 . . 1 . . . . . . . . 4116 1 21 . 1 1 4 4 LYS HB2 H 1 1.34 . . 1 . . . . . . . . 4116 1 22 . 1 1 4 4 LYS CB C 13 31.31 . . 1 . . . . . . . . 4116 1 23 . 1 1 4 4 LYS HG2 H 1 1.16 . . 1 . . . . . . . . 4116 1 24 . 1 1 4 4 LYS HG3 H 1 1.03 . . 1 . . . . . . . . 4116 1 25 . 1 1 4 4 LYS CG C 13 23.56 . . 1 . . . . . . . . 4116 1 26 . 1 1 4 4 LYS HD2 H 1 1.34 . . 1 . . . . . . . . 4116 1 27 . 1 1 4 4 LYS HD3 H 1 1.21 . . 1 . . . . . . . . 4116 1 28 . 1 1 4 4 LYS CD C 13 26.86 . . 1 . . . . . . . . 4116 1 29 . 1 1 4 4 LYS HE2 H 1 2.75 . . 1 . . . . . . . . 4116 1 30 . 1 1 4 4 LYS HE3 H 1 2.75 . . 1 . . . . . . . . 4116 1 31 . 1 1 4 4 LYS CE C 13 40.31 . . 1 . . . . . . . . 4116 1 32 . 1 1 5 5 HIS H H 1 8.86 . . 1 . . . . . . . . 4116 1 33 . 1 1 5 5 HIS N N 15 116.20 . . 1 . . . . . . . . 4116 1 34 . 1 1 5 5 HIS HA H 1 4.76 . . 1 . . . . . . . . 4116 1 35 . 1 1 5 5 HIS CA C 13 55.15 . . 1 . . . . . . . . 4116 1 36 . 1 1 5 5 HIS HB2 H 1 3.44 . . 1 . . . . . . . . 4116 1 37 . 1 1 5 5 HIS HB3 H 1 3.28 . . 1 . . . . . . . . 4116 1 38 . 1 1 5 5 HIS CB C 13 27.84 . . 1 . . . . . . . . 4116 1 39 . 1 1 5 5 HIS HD2 H 1 7.35 . . 1 . . . . . . . . 4116 1 40 . 1 1 5 5 HIS HE1 H 1 8.53 . . 1 . . . . . . . . 4116 1 41 . 1 1 6 6 SER H H 1 8.02 . . 1 . . . . . . . . 4116 1 42 . 1 1 6 6 SER N N 15 114.30 . . 1 . . . . . . . . 4116 1 43 . 1 1 6 6 SER HA H 1 4.78 . . 1 . . . . . . . . 4116 1 44 . 1 1 6 6 SER CA C 13 55.46 . . 1 . . . . . . . . 4116 1 45 . 1 1 6 6 SER HB2 H 1 3.93 . . 1 . . . . . . . . 4116 1 46 . 1 1 6 6 SER HB3 H 1 3.70 . . 1 . . . . . . . . 4116 1 47 . 1 1 6 6 SER CB C 13 63.55 . . 1 . . . . . . . . 4116 1 48 . 1 1 7 7 ILE H H 1 9.38 . . 1 . . . . . . . . 4116 1 49 . 1 1 7 7 ILE N N 15 127.70 . . 1 . . . . . . . . 4116 1 50 . 1 1 7 7 ILE HA H 1 4.12 . . 1 . . . . . . . . 4116 1 51 . 1 1 7 7 ILE CA C 13 63.38 . . 1 . . . . . . . . 4116 1 52 . 1 1 7 7 ILE HB H 1 1.66 . . 1 . . . . . . . . 4116 1 53 . 1 1 7 7 ILE CB C 13 34.87 . . 1 . . . . . . . . 4116 1 54 . 1 1 7 7 ILE HG12 H 1 0.92 . . 1 . . . . . . . . 4116 1 55 . 1 1 7 7 ILE HG13 H 1 0.92 . . 1 . . . . . . . . 4116 1 56 . 1 1 7 7 ILE CG1 C 13 28.48 . . 1 . . . . . . . . 4116 1 57 . 1 1 7 7 ILE HG21 H 1 0.51 . . 1 . . . . . . . . 4116 1 58 . 1 1 7 7 ILE HG22 H 1 0.51 . . 1 . . . . . . . . 4116 1 59 . 1 1 7 7 ILE HG23 H 1 0.51 . . 1 . . . . . . . . 4116 1 60 . 1 1 7 7 ILE CG2 C 13 13.22 . . 1 . . . . . . . . 4116 1 61 . 1 1 7 7 ILE HD11 H 1 -0.14 . . 1 . . . . . . . . 4116 1 62 . 1 1 7 7 ILE HD12 H 1 -0.14 . . 1 . . . . . . . . 4116 1 63 . 1 1 7 7 ILE HD13 H 1 -0.14 . . 1 . . . . . . . . 4116 1 64 . 1 1 7 7 ILE CD1 C 13 10.95 . . 1 . . . . . . . . 4116 1 65 . 1 1 8 8 SER H H 1 7.58 . . 1 . . . . . . . . 4116 1 66 . 1 1 8 8 SER N N 15 113.40 . . 1 . . . . . . . . 4116 1 67 . 1 1 8 8 SER HA H 1 4.80 . . 1 . . . . . . . . 4116 1 68 . 1 1 8 8 SER CA C 13 57.08 . . 1 . . . . . . . . 4116 1 69 . 1 1 8 8 SER HB2 H 1 3.98 . . 1 . . . . . . . . 4116 1 70 . 1 1 8 8 SER HB3 H 1 3.91 . . 1 . . . . . . . . 4116 1 71 . 1 1 8 8 SER CB C 13 61.21 . . 1 . . . . . . . . 4116 1 72 . 1 1 9 9 ASP H H 1 7.95 . . 1 . . . . . . . . 4116 1 73 . 1 1 9 9 ASP N N 15 119.00 . . 1 . . . . . . . . 4116 1 74 . 1 1 9 9 ASP HA H 1 4.83 . . 1 . . . . . . . . 4116 1 75 . 1 1 9 9 ASP CA C 13 52.80 . . 1 . . . . . . . . 4116 1 76 . 1 1 9 9 ASP HB2 H 1 2.85 . . 1 . . . . . . . . 4116 1 77 . 1 1 9 9 ASP CB C 13 40.74 . . 1 . . . . . . . . 4116 1 78 . 1 1 10 10 TYR H H 1 8.31 . . 1 . . . . . . . . 4116 1 79 . 1 1 10 10 TYR N N 15 121.10 . . 1 . . . . . . . . 4116 1 80 . 1 1 10 10 TYR HA H 1 4.95 . . 1 . . . . . . . . 4116 1 81 . 1 1 10 10 TYR CA C 13 56.43 . . 1 . . . . . . . . 4116 1 82 . 1 1 10 10 TYR HB2 H 1 3.57 . . 1 . . . . . . . . 4116 1 83 . 1 1 10 10 TYR HB3 H 1 3.57 . . 1 . . . . . . . . 4116 1 84 . 1 1 10 10 TYR CB C 13 38.30 . . 1 . . . . . . . . 4116 1 85 . 1 1 10 10 TYR HD1 H 1 7.46 . . 1 . . . . . . . . 4116 1 86 . 1 1 10 10 TYR HD2 H 1 7.46 . . 1 . . . . . . . . 4116 1 87 . 1 1 10 10 TYR HE1 H 1 7.01 . . 1 . . . . . . . . 4116 1 88 . 1 1 10 10 TYR HE2 H 1 7.01 . . 1 . . . . . . . . 4116 1 89 . 1 1 11 11 THR H H 1 8.97 . . 1 . . . . . . . . 4116 1 90 . 1 1 11 11 THR N N 15 112.60 . . 1 . . . . . . . . 4116 1 91 . 1 1 11 11 THR HA H 1 5.03 . . 1 . . . . . . . . 4116 1 92 . 1 1 11 11 THR CA C 13 58.78 . . 1 . . . . . . . . 4116 1 93 . 1 1 11 11 THR HB H 1 4.73 . . 1 . . . . . . . . 4116 1 94 . 1 1 11 11 THR CB C 13 68.77 . . 1 . . . . . . . . 4116 1 95 . 1 1 11 11 THR HG21 H 1 1.28 . . 1 . . . . . . . . 4116 1 96 . 1 1 11 11 THR HG22 H 1 1.28 . . 1 . . . . . . . . 4116 1 97 . 1 1 11 11 THR HG23 H 1 1.28 . . 1 . . . . . . . . 4116 1 98 . 1 1 11 11 THR CG2 C 13 19.93 . . 1 . . . . . . . . 4116 1 99 . 1 1 12 12 GLU H H 1 9.35 . . 1 . . . . . . . . 4116 1 100 . 1 1 12 12 GLU N N 15 124.80 . . 1 . . . . . . . . 4116 1 101 . 1 1 12 12 GLU HA H 1 2.44 . . 1 . . . . . . . . 4116 1 102 . 1 1 12 12 GLU CA C 13 58.28 . . 1 . . . . . . . . 4116 1 103 . 1 1 12 12 GLU HB2 H 1 1.86 . . 1 . . . . . . . . 4116 1 104 . 1 1 12 12 GLU HB3 H 1 1.83 . . 1 . . . . . . . . 4116 1 105 . 1 1 12 12 GLU CB C 13 27.13 . . 1 . . . . . . . . 4116 1 106 . 1 1 12 12 GLU HG2 H 1 2.02 . . 1 . . . . . . . . 4116 1 107 . 1 1 12 12 GLU HG3 H 1 1.81 . . 1 . . . . . . . . 4116 1 108 . 1 1 12 12 GLU CG C 13 33.92 . . 1 . . . . . . . . 4116 1 109 . 1 1 13 13 ALA H H 1 8.45 . . 1 . . . . . . . . 4116 1 110 . 1 1 13 13 ALA N N 15 119.70 . . 1 . . . . . . . . 4116 1 111 . 1 1 13 13 ALA HA H 1 4.12 . . 1 . . . . . . . . 4116 1 112 . 1 1 13 13 ALA CA C 13 53.10 . . 1 . . . . . . . . 4116 1 113 . 1 1 13 13 ALA HB1 H 1 1.43 . . 1 . . . . . . . . 4116 1 114 . 1 1 13 13 ALA HB2 H 1 1.43 . . 1 . . . . . . . . 4116 1 115 . 1 1 13 13 ALA HB3 H 1 1.43 . . 1 . . . . . . . . 4116 1 116 . 1 1 13 13 ALA CB C 13 16.27 . . 1 . . . . . . . . 4116 1 117 . 1 1 14 14 GLU H H 1 8.04 . . 1 . . . . . . . . 4116 1 118 . 1 1 14 14 GLU N N 15 120.11 . . 1 . . . . . . . . 4116 1 119 . 1 1 14 14 GLU HA H 1 4.17 . . 1 . . . . . . . . 4116 1 120 . 1 1 14 14 GLU CA C 13 56.66 . . 1 . . . . . . . . 4116 1 121 . 1 1 14 14 GLU HB2 H 1 2.76 . . 1 . . . . . . . . 4116 1 122 . 1 1 14 14 GLU HB3 H 1 2.35 . . 1 . . . . . . . . 4116 1 123 . 1 1 14 14 GLU CB C 13 29.41 . . 1 . . . . . . . . 4116 1 124 . 1 1 14 14 GLU HG2 H 1 2.56 . . 1 . . . . . . . . 4116 1 125 . 1 1 14 14 GLU HG3 H 1 2.45 . . 1 . . . . . . . . 4116 1 126 . 1 1 14 14 GLU CG C 13 35.13 . . 1 . . . . . . . . 4116 1 127 . 1 1 15 15 PHE H H 1 8.79 . . 1 . . . . . . . . 4116 1 128 . 1 1 15 15 PHE N N 15 124.40 . . 1 . . . . . . . . 4116 1 129 . 1 1 15 15 PHE HA H 1 3.93 . . 1 . . . . . . . . 4116 1 130 . 1 1 15 15 PHE CA C 13 60.30 . . 1 . . . . . . . . 4116 1 131 . 1 1 15 15 PHE HB2 H 1 2.89 . . 1 . . . . . . . . 4116 1 132 . 1 1 15 15 PHE HB3 H 1 2.71 . . 1 . . . . . . . . 4116 1 133 . 1 1 15 15 PHE CB C 13 38.55 . . 1 . . . . . . . . 4116 1 134 . 1 1 16 16 LEU H H 1 9.09 . . 1 . . . . . . . . 4116 1 135 . 1 1 16 16 LEU N N 15 120.50 . . 1 . . . . . . . . 4116 1 136 . 1 1 16 16 LEU HA H 1 3.97 . . 1 . . . . . . . . 4116 1 137 . 1 1 16 16 LEU CA C 13 56.21 . . 1 . . . . . . . . 4116 1 138 . 1 1 16 16 LEU HB2 H 1 2.08 . . 1 . . . . . . . . 4116 1 139 . 1 1 16 16 LEU HB3 H 1 1.63 . . 1 . . . . . . . . 4116 1 140 . 1 1 16 16 LEU CB C 13 39.09 . . 1 . . . . . . . . 4116 1 141 . 1 1 16 16 LEU HG H 1 1.48 . . 1 . . . . . . . . 4116 1 142 . 1 1 16 16 LEU CG C 13 25.25 . . 1 . . . . . . . . 4116 1 143 . 1 1 16 16 LEU HD11 H 1 0.95 . . 1 . . . . . . . . 4116 1 144 . 1 1 16 16 LEU HD12 H 1 0.95 . . 1 . . . . . . . . 4116 1 145 . 1 1 16 16 LEU HD13 H 1 0.95 . . 1 . . . . . . . . 4116 1 146 . 1 1 16 16 LEU HD21 H 1 0.84 . . 1 . . . . . . . . 4116 1 147 . 1 1 16 16 LEU HD22 H 1 0.84 . . 1 . . . . . . . . 4116 1 148 . 1 1 16 16 LEU HD23 H 1 0.84 . . 1 . . . . . . . . 4116 1 149 . 1 1 16 16 LEU CD1 C 13 23.38 . . 1 . . . . . . . . 4116 1 150 . 1 1 16 16 LEU CD2 C 13 21.57 . . 1 . . . . . . . . 4116 1 151 . 1 1 17 17 GLN H H 1 7.95 . . 1 . . . . . . . . 4116 1 152 . 1 1 17 17 GLN N N 15 123.10 . . 1 . . . . . . . . 4116 1 153 . 1 1 17 17 GLN HA H 1 4.10 . . 1 . . . . . . . . 4116 1 154 . 1 1 17 17 GLN CA C 13 57.03 . . 1 . . . . . . . . 4116 1 155 . 1 1 17 17 GLN HB2 H 1 2.28 . . 1 . . . . . . . . 4116 1 156 . 1 1 17 17 GLN HB3 H 1 2.28 . . 1 . . . . . . . . 4116 1 157 . 1 1 17 17 GLN CB C 13 25.64 . . 1 . . . . . . . . 4116 1 158 . 1 1 17 17 GLN HG2 H 1 2.48 . . 1 . . . . . . . . 4116 1 159 . 1 1 17 17 GLN CG C 13 31.62 . . 1 . . . . . . . . 4116 1 160 . 1 1 17 17 GLN HE21 H 1 7.49 . . 1 . . . . . . . . 4116 1 161 . 1 1 17 17 GLN HE22 H 1 6.96 . . 1 . . . . . . . . 4116 1 162 . 1 1 17 17 GLN NE2 N 15 112.85 . . 1 . . . . . . . . 4116 1 163 . 1 1 18 18 LEU H H 1 7.54 . . 1 . . . . . . . . 4116 1 164 . 1 1 18 18 LEU N N 15 124.20 . . 1 . . . . . . . . 4116 1 165 . 1 1 18 18 LEU HB2 H 1 1.82 . . 1 . . . . . . . . 4116 1 166 . 1 1 18 18 LEU HB3 H 1 1.58 . . 1 . . . . . . . . 4116 1 167 . 1 1 18 18 LEU CB C 13 38.76 . . 1 . . . . . . . . 4116 1 168 . 1 1 18 18 LEU HG H 1 1.44 . . 1 . . . . . . . . 4116 1 169 . 1 1 18 18 LEU CG C 13 25.71 . . 1 . . . . . . . . 4116 1 170 . 1 1 18 18 LEU HD11 H 1 1.06 . . 1 . . . . . . . . 4116 1 171 . 1 1 18 18 LEU HD12 H 1 1.06 . . 1 . . . . . . . . 4116 1 172 . 1 1 18 18 LEU HD13 H 1 1.06 . . 1 . . . . . . . . 4116 1 173 . 1 1 18 18 LEU HD21 H 1 0.72 . . 1 . . . . . . . . 4116 1 174 . 1 1 18 18 LEU HD22 H 1 0.72 . . 1 . . . . . . . . 4116 1 175 . 1 1 18 18 LEU HD23 H 1 0.72 . . 1 . . . . . . . . 4116 1 176 . 1 1 18 18 LEU CD1 C 13 22.95 . . 1 . . . . . . . . 4116 1 177 . 1 1 18 18 LEU CD2 C 13 23.78 . . 1 . . . . . . . . 4116 1 178 . 1 1 19 19 VAL H H 1 8.25 . . 1 . . . . . . . . 4116 1 179 . 1 1 19 19 VAL N N 15 118.60 . . 1 . . . . . . . . 4116 1 180 . 1 1 19 19 VAL HA H 1 3.16 . . 1 . . . . . . . . 4116 1 181 . 1 1 19 19 VAL CA C 13 65.17 . . 1 . . . . . . . . 4116 1 182 . 1 1 19 19 VAL HB H 1 1.94 . . 1 . . . . . . . . 4116 1 183 . 1 1 19 19 VAL CB C 13 29.97 . . 1 . . . . . . . . 4116 1 184 . 1 1 19 19 VAL HG11 H 1 0.90 . . 1 . . . . . . . . 4116 1 185 . 1 1 19 19 VAL HG12 H 1 0.90 . . 1 . . . . . . . . 4116 1 186 . 1 1 19 19 VAL HG13 H 1 0.90 . . 1 . . . . . . . . 4116 1 187 . 1 1 19 19 VAL CG1 C 13 21.16 . . 1 . . . . . . . . 4116 1 188 . 1 1 19 19 VAL HG21 H 1 0.78 . . 1 . . . . . . . . 4116 1 189 . 1 1 19 19 VAL HG22 H 1 0.78 . . 1 . . . . . . . . 4116 1 190 . 1 1 19 19 VAL HG23 H 1 0.78 . . 1 . . . . . . . . 4116 1 191 . 1 1 19 19 VAL CG2 C 13 22.61 . . 1 . . . . . . . . 4116 1 192 . 1 1 20 20 THR H H 1 8.75 . . 1 . . . . . . . . 4116 1 193 . 1 1 20 20 THR N N 15 119.00 . . 1 . . . . . . . . 4116 1 194 . 1 1 20 20 THR HA H 1 3.57 . . 1 . . . . . . . . 4116 1 195 . 1 1 20 20 THR CA C 13 66.24 . . 1 . . . . . . . . 4116 1 196 . 1 1 20 20 THR HB H 1 4.36 . . 1 . . . . . . . . 4116 1 197 . 1 1 20 20 THR CB C 13 66.89 . . 1 . . . . . . . . 4116 1 198 . 1 1 20 20 THR HG21 H 1 1.24 . . 1 . . . . . . . . 4116 1 199 . 1 1 20 20 THR HG22 H 1 1.24 . . 1 . . . . . . . . 4116 1 200 . 1 1 20 20 THR HG23 H 1 1.24 . . 1 . . . . . . . . 4116 1 201 . 1 1 20 20 THR CG2 C 13 18.83 . . 1 . . . . . . . . 4116 1 202 . 1 1 21 21 THR H H 1 8.18 . . 1 . . . . . . . . 4116 1 203 . 1 1 21 21 THR N N 15 120.10 . . 1 . . . . . . . . 4116 1 204 . 1 1 21 21 THR HA H 1 3.90 . . 1 . . . . . . . . 4116 1 205 . 1 1 21 21 THR CA C 13 65.69 . . 1 . . . . . . . . 4116 1 206 . 1 1 21 21 THR HB H 1 4.50 . . 1 . . . . . . . . 4116 1 207 . 1 1 21 21 THR CB C 13 66.74 . . 1 . . . . . . . . 4116 1 208 . 1 1 21 21 THR HG21 H 1 1.14 . . 1 . . . . . . . . 4116 1 209 . 1 1 21 21 THR HG22 H 1 1.14 . . 1 . . . . . . . . 4116 1 210 . 1 1 21 21 THR HG23 H 1 1.14 . . 1 . . . . . . . . 4116 1 211 . 1 1 21 21 THR CG2 C 13 19.59 . . 1 . . . . . . . . 4116 1 212 . 1 1 22 22 ILE H H 1 7.76 . . 1 . . . . . . . . 4116 1 213 . 1 1 22 22 ILE N N 15 120.50 . . 1 . . . . . . . . 4116 1 214 . 1 1 22 22 ILE HA H 1 3.46 . . 1 . . . . . . . . 4116 1 215 . 1 1 22 22 ILE CA C 13 63.77 . . 1 . . . . . . . . 4116 1 216 . 1 1 22 22 ILE HB H 1 1.77 . . 1 . . . . . . . . 4116 1 217 . 1 1 22 22 ILE CB C 13 36.29 . . 1 . . . . . . . . 4116 1 218 . 1 1 22 22 ILE HG12 H 1 1.85 . . 1 . . . . . . . . 4116 1 219 . 1 1 22 22 ILE HG13 H 1 1.85 . . 1 . . . . . . . . 4116 1 220 . 1 1 22 22 ILE CG1 C 13 27.10 . . 1 . . . . . . . . 4116 1 221 . 1 1 22 22 ILE HG21 H 1 0.73 . . 1 . . . . . . . . 4116 1 222 . 1 1 22 22 ILE HG22 H 1 0.73 . . 1 . . . . . . . . 4116 1 223 . 1 1 22 22 ILE HG23 H 1 0.73 . . 1 . . . . . . . . 4116 1 224 . 1 1 22 22 ILE CG2 C 13 16.33 . . 1 . . . . . . . . 4116 1 225 . 1 1 22 22 ILE HD11 H 1 0.60 . . 1 . . . . . . . . 4116 1 226 . 1 1 22 22 ILE HD12 H 1 0.60 . . 1 . . . . . . . . 4116 1 227 . 1 1 22 22 ILE HD13 H 1 0.60 . . 1 . . . . . . . . 4116 1 228 . 1 1 22 22 ILE CD1 C 13 12.13 . . 1 . . . . . . . . 4116 1 229 . 1 1 23 23 CYS H H 1 8.87 . . 1 . . . . . . . . 4116 1 230 . 1 1 23 23 CYS N N 15 120.20 . . 1 . . . . . . . . 4116 1 231 . 1 1 23 23 CYS HA H 1 3.81 . . 1 . . . . . . . . 4116 1 232 . 1 1 23 23 CYS CA C 13 62.35 . . 1 . . . . . . . . 4116 1 233 . 1 1 23 23 CYS HB2 H 1 3.00 . . 1 . . . . . . . . 4116 1 234 . 1 1 23 23 CYS HB3 H 1 2.68 . . 1 . . . . . . . . 4116 1 235 . 1 1 23 23 CYS CB C 13 24.76 . . 1 . . . . . . . . 4116 1 236 . 1 1 24 24 ASN H H 1 8.16 . . 1 . . . . . . . . 4116 1 237 . 1 1 24 24 ASN N N 15 116.10 . . 1 . . . . . . . . 4116 1 238 . 1 1 24 24 ASN HA H 1 4.68 . . 1 . . . . . . . . 4116 1 239 . 1 1 24 24 ASN CA C 13 50.92 . . 1 . . . . . . . . 4116 1 240 . 1 1 24 24 ASN HB2 H 1 2.98 . . 1 . . . . . . . . 4116 1 241 . 1 1 24 24 ASN HB3 H 1 2.73 . . 1 . . . . . . . . 4116 1 242 . 1 1 24 24 ASN CB C 13 36.24 . . 1 . . . . . . . . 4116 1 243 . 1 1 24 24 ASN HD21 H 1 7.93 . . 1 . . . . . . . . 4116 1 244 . 1 1 24 24 ASN HD22 H 1 7.00 . . 1 . . . . . . . . 4116 1 245 . 1 1 24 24 ASN ND2 N 15 112.30 . . 1 . . . . . . . . 4116 1 246 . 1 1 25 25 ALA H H 1 8.16 . . 1 . . . . . . . . 4116 1 247 . 1 1 25 25 ALA N N 15 125.30 . . 1 . . . . . . . . 4116 1 248 . 1 1 25 25 ALA HA H 1 3.91 . . 1 . . . . . . . . 4116 1 249 . 1 1 25 25 ALA CA C 13 50.81 . . 1 . . . . . . . . 4116 1 250 . 1 1 25 25 ALA HB1 H 1 1.50 . . 1 . . . . . . . . 4116 1 251 . 1 1 25 25 ALA HB2 H 1 1.50 . . 1 . . . . . . . . 4116 1 252 . 1 1 25 25 ALA HB3 H 1 1.50 . . 1 . . . . . . . . 4116 1 253 . 1 1 25 25 ALA CB C 13 14.89 . . 1 . . . . . . . . 4116 1 254 . 1 1 26 26 ASP H H 1 8.42 . . 1 . . . . . . . . 4116 1 255 . 1 1 26 26 ASP N N 15 120.30 . . 1 . . . . . . . . 4116 1 256 . 1 1 26 26 ASP HA H 1 4.91 . . 1 . . . . . . . . 4116 1 257 . 1 1 26 26 ASP CA C 13 51.30 . . 1 . . . . . . . . 4116 1 258 . 1 1 26 26 ASP HB2 H 1 2.91 . . 1 . . . . . . . . 4116 1 259 . 1 1 26 26 ASP HB3 H 1 2.43 . . 1 . . . . . . . . 4116 1 260 . 1 1 26 26 ASP CB C 13 38.41 . . 1 . . . . . . . . 4116 1 261 . 1 1 27 27 THR H H 1 7.80 . . 1 . . . . . . . . 4116 1 262 . 1 1 27 27 THR N N 15 109.10 . . 1 . . . . . . . . 4116 1 263 . 1 1 27 27 THR HA H 1 4.62 . . 1 . . . . . . . . 4116 1 264 . 1 1 27 27 THR CA C 13 57.89 . . 1 . . . . . . . . 4116 1 265 . 1 1 27 27 THR HB H 1 4.49 . . 1 . . . . . . . . 4116 1 266 . 1 1 27 27 THR CB C 13 69.04 . . 1 . . . . . . . . 4116 1 267 . 1 1 27 27 THR HG21 H 1 0.97 . . 1 . . . . . . . . 4116 1 268 . 1 1 27 27 THR HG22 H 1 0.97 . . 1 . . . . . . . . 4116 1 269 . 1 1 27 27 THR HG23 H 1 0.97 . . 1 . . . . . . . . 4116 1 270 . 1 1 27 27 THR CG2 C 13 20.40 . . 1 . . . . . . . . 4116 1 271 . 1 1 28 28 SER H H 1 8.97 . . 1 . . . . . . . . 4116 1 272 . 1 1 28 28 SER N N 15 116.40 . . 1 . . . . . . . . 4116 1 273 . 1 1 28 28 SER HA H 1 4.48 . . 1 . . . . . . . . 4116 1 274 . 1 1 28 28 SER CA C 13 57.69 . . 1 . . . . . . . . 4116 1 275 . 1 1 28 28 SER HB2 H 1 4.04 . . 1 . . . . . . . . 4116 1 276 . 1 1 28 28 SER HB3 H 1 4.00 . . 1 . . . . . . . . 4116 1 277 . 1 1 28 28 SER CB C 13 61.81 . . 1 . . . . . . . . 4116 1 278 . 1 1 29 29 SER H H 1 7.66 . . 1 . . . . . . . . 4116 1 279 . 1 1 29 29 SER N N 15 113.50 . . 1 . . . . . . . . 4116 1 280 . 1 1 29 29 SER HA H 1 4.82 . . 1 . . . . . . . . 4116 1 281 . 1 1 29 29 SER CA C 13 54.97 . . 1 . . . . . . . . 4116 1 282 . 1 1 29 29 SER HB2 H 1 4.30 . . 1 . . . . . . . . 4116 1 283 . 1 1 29 29 SER HB3 H 1 4.07 . . 1 . . . . . . . . 4116 1 284 . 1 1 29 29 SER CB C 13 64.20 . . 1 . . . . . . . . 4116 1 285 . 1 1 30 30 GLU H H 1 9.33 . . 1 . . . . . . . . 4116 1 286 . 1 1 30 30 GLU N N 15 125.80 . . 1 . . . . . . . . 4116 1 287 . 1 1 30 30 GLU HA H 1 4.14 . . 1 . . . . . . . . 4116 1 288 . 1 1 30 30 GLU CA C 13 56.87 . . 1 . . . . . . . . 4116 1 289 . 1 1 30 30 GLU HB2 H 1 2.11 . . 1 . . . . . . . . 4116 1 290 . 1 1 30 30 GLU CB C 13 27.39 . . 1 . . . . . . . . 4116 1 291 . 1 1 30 30 GLU HG2 H 1 2.38 . . 1 . . . . . . . . 4116 1 292 . 1 1 30 30 GLU CG C 13 34.21 . . 1 . . . . . . . . 4116 1 293 . 1 1 31 31 GLU H H 1 8.84 . . 1 . . . . . . . . 4116 1 294 . 1 1 31 31 GLU N N 15 120.10 . . 1 . . . . . . . . 4116 1 295 . 1 1 31 31 GLU HA H 1 4.06 . . 1 . . . . . . . . 4116 1 296 . 1 1 31 31 GLU CA C 13 57.92 . . 1 . . . . . . . . 4116 1 297 . 1 1 31 31 GLU HB2 H 1 2.15 . . 1 . . . . . . . . 4116 1 298 . 1 1 31 31 GLU HB3 H 1 2.00 . . 1 . . . . . . . . 4116 1 299 . 1 1 31 31 GLU CB C 13 27.02 . . 1 . . . . . . . . 4116 1 300 . 1 1 31 31 GLU HG2 H 1 2.39 . . 1 . . . . . . . . 4116 1 301 . 1 1 31 31 GLU CG C 13 34.53 . . 1 . . . . . . . . 4116 1 302 . 1 1 32 32 GLU H H 1 7.94 . . 1 . . . . . . . . 4116 1 303 . 1 1 32 32 GLU N N 15 120.40 . . 1 . . . . . . . . 4116 1 304 . 1 1 32 32 GLU HA H 1 4.08 . . 1 . . . . . . . . 4116 1 305 . 1 1 32 32 GLU CA C 13 56.95 . . 1 . . . . . . . . 4116 1 306 . 1 1 32 32 GLU HB2 H 1 2.14 . . 1 . . . . . . . . 4116 1 307 . 1 1 32 32 GLU CB C 13 28.21 . . 1 . . . . . . . . 4116 1 308 . 1 1 33 33 LEU H H 1 7.48 . . 1 . . . . . . . . 4116 1 309 . 1 1 33 33 LEU N N 15 121.30 . . 1 . . . . . . . . 4116 1 310 . 1 1 33 33 LEU HA H 1 4.10 . . 1 . . . . . . . . 4116 1 311 . 1 1 33 33 LEU CA C 13 56.36 . . 1 . . . . . . . . 4116 1 312 . 1 1 33 33 LEU HB2 H 1 1.75 . . 1 . . . . . . . . 4116 1 313 . 1 1 33 33 LEU HB3 H 1 1.04 . . 1 . . . . . . . . 4116 1 314 . 1 1 33 33 LEU CB C 13 38.70 . . 1 . . . . . . . . 4116 1 315 . 1 1 33 33 LEU HG H 1 1.76 . . 1 . . . . . . . . 4116 1 316 . 1 1 33 33 LEU CG C 13 24.96 . . 1 . . . . . . . . 4116 1 317 . 1 1 33 33 LEU HD11 H 1 1.05 . . 1 . . . . . . . . 4116 1 318 . 1 1 33 33 LEU HD12 H 1 1.05 . . 1 . . . . . . . . 4116 1 319 . 1 1 33 33 LEU HD13 H 1 1.05 . . 1 . . . . . . . . 4116 1 320 . 1 1 33 33 LEU HD21 H 1 1.06 . . 1 . . . . . . . . 4116 1 321 . 1 1 33 33 LEU HD22 H 1 1.06 . . 1 . . . . . . . . 4116 1 322 . 1 1 33 33 LEU HD23 H 1 1.06 . . 1 . . . . . . . . 4116 1 323 . 1 1 33 33 LEU CD1 C 13 24.11 . . 1 . . . . . . . . 4116 1 324 . 1 1 33 33 LEU CD2 C 13 22.02 . . 1 . . . . . . . . 4116 1 325 . 1 1 34 34 VAL H H 1 7.78 . . 1 . . . . . . . . 4116 1 326 . 1 1 34 34 VAL N N 15 120.91 . . 1 . . . . . . . . 4116 1 327 . 1 1 34 34 VAL HA H 1 3.70 . . 1 . . . . . . . . 4116 1 328 . 1 1 34 34 VAL CA C 13 64.76 . . 1 . . . . . . . . 4116 1 329 . 1 1 34 34 VAL HB H 1 2.02 . . 1 . . . . . . . . 4116 1 330 . 1 1 34 34 VAL CB C 13 29.69 . . 1 . . . . . . . . 4116 1 331 . 1 1 34 34 VAL HG11 H 1 1.15 . . 1 . . . . . . . . 4116 1 332 . 1 1 34 34 VAL HG12 H 1 1.15 . . 1 . . . . . . . . 4116 1 333 . 1 1 34 34 VAL HG13 H 1 1.15 . . 1 . . . . . . . . 4116 1 334 . 1 1 34 34 VAL CG1 C 13 20.78 . . 1 . . . . . . . . 4116 1 335 . 1 1 34 34 VAL HG21 H 1 1.03 . . 1 . . . . . . . . 4116 1 336 . 1 1 34 34 VAL HG22 H 1 1.03 . . 1 . . . . . . . . 4116 1 337 . 1 1 34 34 VAL HG23 H 1 1.03 . . 1 . . . . . . . . 4116 1 338 . 1 1 34 34 VAL CG2 C 13 19.02 . . 1 . . . . . . . . 4116 1 339 . 1 1 35 35 LYS H H 1 7.78 . . 1 . . . . . . . . 4116 1 340 . 1 1 35 35 LYS N N 15 120.90 . . 1 . . . . . . . . 4116 1 341 . 1 1 35 35 LYS HA H 1 4.16 . . 1 . . . . . . . . 4116 1 342 . 1 1 35 35 LYS CA C 13 57.65 . . 1 . . . . . . . . 4116 1 343 . 1 1 35 35 LYS HB2 H 1 2.03 . . 1 . . . . . . . . 4116 1 344 . 1 1 35 35 LYS HB3 H 1 2.03 . . 1 . . . . . . . . 4116 1 345 . 1 1 35 35 LYS CB C 13 30.39 . . 1 . . . . . . . . 4116 1 346 . 1 1 35 35 LYS HG2 H 1 1.67 . . 1 . . . . . . . . 4116 1 347 . 1 1 35 35 LYS HG3 H 1 1.44 . . 1 . . . . . . . . 4116 1 348 . 1 1 35 35 LYS CG C 13 23.17 . . 1 . . . . . . . . 4116 1 349 . 1 1 35 35 LYS HE2 H 1 2.97 . . 1 . . . . . . . . 4116 1 350 . 1 1 35 35 LYS HE3 H 1 2.97 . . 1 . . . . . . . . 4116 1 351 . 1 1 35 35 LYS CE C 13 40.09 . . 1 . . . . . . . . 4116 1 352 . 1 1 36 36 LEU H H 1 8.21 . . 1 . . . . . . . . 4116 1 353 . 1 1 36 36 LEU N N 15 121.40 . . 1 . . . . . . . . 4116 1 354 . 1 1 36 36 LEU HA H 1 4.22 . . 1 . . . . . . . . 4116 1 355 . 1 1 36 36 LEU CA C 13 56.24 . . 1 . . . . . . . . 4116 1 356 . 1 1 36 36 LEU HB2 H 1 2.17 . . 1 . . . . . . . . 4116 1 357 . 1 1 36 36 LEU HB3 H 1 1.45 . . 1 . . . . . . . . 4116 1 358 . 1 1 36 36 LEU CB C 13 39.89 . . 1 . . . . . . . . 4116 1 359 . 1 1 36 36 LEU HG H 1 2.05 . . 1 . . . . . . . . 4116 1 360 . 1 1 36 36 LEU CG C 13 24.32 . . 1 . . . . . . . . 4116 1 361 . 1 1 36 36 LEU HD11 H 1 0.88 . . 1 . . . . . . . . 4116 1 362 . 1 1 36 36 LEU HD12 H 1 0.88 . . 1 . . . . . . . . 4116 1 363 . 1 1 36 36 LEU HD13 H 1 0.88 . . 1 . . . . . . . . 4116 1 364 . 1 1 36 36 LEU HD21 H 1 0.88 . . 1 . . . . . . . . 4116 1 365 . 1 1 36 36 LEU HD22 H 1 0.88 . . 1 . . . . . . . . 4116 1 366 . 1 1 36 36 LEU HD23 H 1 0.88 . . 1 . . . . . . . . 4116 1 367 . 1 1 36 36 LEU CD1 C 13 20.82 . . 1 . . . . . . . . 4116 1 368 . 1 1 36 36 LEU CD2 C 13 23.81 . . 1 . . . . . . . . 4116 1 369 . 1 1 37 37 VAL H H 1 8.21 . . 1 . . . . . . . . 4116 1 370 . 1 1 37 37 VAL N N 15 122.50 . . 1 . . . . . . . . 4116 1 371 . 1 1 37 37 VAL HA H 1 3.58 . . 1 . . . . . . . . 4116 1 372 . 1 1 37 37 VAL CA C 13 66.03 . . 1 . . . . . . . . 4116 1 373 . 1 1 37 37 VAL HB H 1 2.39 . . 1 . . . . . . . . 4116 1 374 . 1 1 37 37 VAL CB C 13 29.36 . . 1 . . . . . . . . 4116 1 375 . 1 1 37 37 VAL HG11 H 1 1.25 . . 1 . . . . . . . . 4116 1 376 . 1 1 37 37 VAL HG12 H 1 1.25 . . 1 . . . . . . . . 4116 1 377 . 1 1 37 37 VAL HG13 H 1 1.25 . . 1 . . . . . . . . 4116 1 378 . 1 1 37 37 VAL CG1 C 13 22.57 . . 1 . . . . . . . . 4116 1 379 . 1 1 37 37 VAL HG21 H 1 1.19 . . 1 . . . . . . . . 4116 1 380 . 1 1 37 37 VAL HG22 H 1 1.19 . . 1 . . . . . . . . 4116 1 381 . 1 1 37 37 VAL HG23 H 1 1.19 . . 1 . . . . . . . . 4116 1 382 . 1 1 37 37 VAL CG2 C 13 20.74 . . 1 . . . . . . . . 4116 1 383 . 1 1 38 38 THR H H 1 8.71 . . 1 . . . . . . . . 4116 1 384 . 1 1 38 38 THR N N 15 118.00 . . 1 . . . . . . . . 4116 1 385 . 1 1 38 38 THR HA H 1 4.23 . . 1 . . . . . . . . 4116 1 386 . 1 1 38 38 THR CA C 13 64.87 . . 1 . . . . . . . . 4116 1 387 . 1 1 38 38 THR HB H 1 4.39 . . 1 . . . . . . . . 4116 1 388 . 1 1 38 38 THR CB C 13 67.15 . . 1 . . . . . . . . 4116 1 389 . 1 1 38 38 THR HG21 H 1 1.42 . . 1 . . . . . . . . 4116 1 390 . 1 1 38 38 THR HG22 H 1 1.42 . . 1 . . . . . . . . 4116 1 391 . 1 1 38 38 THR HG23 H 1 1.42 . . 1 . . . . . . . . 4116 1 392 . 1 1 38 38 THR CG2 C 13 19.81 . . 1 . . . . . . . . 4116 1 393 . 1 1 39 39 HIS H H 1 8.30 . . 1 . . . . . . . . 4116 1 394 . 1 1 39 39 HIS N N 15 122.40 . . 1 . . . . . . . . 4116 1 395 . 1 1 39 39 HIS HA H 1 4.62 . . 1 . . . . . . . . 4116 1 396 . 1 1 39 39 HIS CA C 13 57.96 . . 1 . . . . . . . . 4116 1 397 . 1 1 39 39 HIS HB2 H 1 3.69 . . 1 . . . . . . . . 4116 1 398 . 1 1 39 39 HIS HB3 H 1 3.33 . . 1 . . . . . . . . 4116 1 399 . 1 1 39 39 HIS CB C 13 26.70 . . 1 . . . . . . . . 4116 1 400 . 1 1 39 39 HIS HD2 H 1 6.87 . . 1 . . . . . . . . 4116 1 401 . 1 1 39 39 HIS HE1 H 1 8.61 . . 1 . . . . . . . . 4116 1 402 . 1 1 40 40 PHE H H 1 9.11 . . 1 . . . . . . . . 4116 1 403 . 1 1 40 40 PHE N N 15 121.00 . . 1 . . . . . . . . 4116 1 404 . 1 1 40 40 PHE HA H 1 3.90 . . 1 . . . . . . . . 4116 1 405 . 1 1 40 40 PHE CA C 13 60.58 . . 1 . . . . . . . . 4116 1 406 . 1 1 40 40 PHE HB2 H 1 3.82 . . 1 . . . . . . . . 4116 1 407 . 1 1 40 40 PHE HB3 H 1 2.95 . . 1 . . . . . . . . 4116 1 408 . 1 1 40 40 PHE CB C 13 36.86 . . 1 . . . . . . . . 4116 1 409 . 1 1 41 41 GLU H H 1 8.76 . . 1 . . . . . . . . 4116 1 410 . 1 1 41 41 GLU N N 15 122.40 . . 1 . . . . . . . . 4116 1 411 . 1 1 41 41 GLU HA H 1 3.65 . . 1 . . . . . . . . 4116 1 412 . 1 1 41 41 GLU CA C 13 58.95 . . 1 . . . . . . . . 4116 1 413 . 1 1 41 41 GLU HB2 H 1 2.69 . . 1 . . . . . . . . 4116 1 414 . 1 1 41 41 GLU CB C 13 27.47 . . 1 . . . . . . . . 4116 1 415 . 1 1 41 41 GLU HG2 H 1 3.05 . . 1 . . . . . . . . 4116 1 416 . 1 1 41 41 GLU HG3 H 1 2.09 . . 1 . . . . . . . . 4116 1 417 . 1 1 41 41 GLU CG C 13 35.38 . . 1 . . . . . . . . 4116 1 418 . 1 1 42 42 GLU H H 1 8.54 . . 1 . . . . . . . . 4116 1 419 . 1 1 42 42 GLU N N 15 120.90 . . 1 . . . . . . . . 4116 1 420 . 1 1 42 42 GLU HA H 1 4.04 . . 1 . . . . . . . . 4116 1 421 . 1 1 42 42 GLU CA C 13 56.91 . . 1 . . . . . . . . 4116 1 422 . 1 1 42 42 GLU HB2 H 1 2.28 . . 1 . . . . . . . . 4116 1 423 . 1 1 42 42 GLU CB C 13 27.97 . . 1 . . . . . . . . 4116 1 424 . 1 1 42 42 GLU HG2 H 1 2.63 . . 1 . . . . . . . . 4116 1 425 . 1 1 42 42 GLU CG C 13 34.32 . . 1 . . . . . . . . 4116 1 426 . 1 1 43 43 MET H H 1 8.86 . . 1 . . . . . . . . 4116 1 427 . 1 1 43 43 MET N N 15 115.10 . . 1 . . . . . . . . 4116 1 428 . 1 1 43 43 MET HA H 1 4.51 . . 1 . . . . . . . . 4116 1 429 . 1 1 43 43 MET CA C 13 53.93 . . 1 . . . . . . . . 4116 1 430 . 1 1 43 43 MET HB2 H 1 2.08 . . 1 . . . . . . . . 4116 1 431 . 1 1 43 43 MET HB3 H 1 1.46 . . 1 . . . . . . . . 4116 1 432 . 1 1 43 43 MET CB C 13 34.26 . . 1 . . . . . . . . 4116 1 433 . 1 1 43 43 MET HG2 H 1 2.17 . . 1 . . . . . . . . 4116 1 434 . 1 1 43 43 MET HG3 H 1 1.86 . . 1 . . . . . . . . 4116 1 435 . 1 1 43 43 MET CG C 13 31.24 . . 1 . . . . . . . . 4116 1 436 . 1 1 43 43 MET HE1 H 1 1.97 . . 1 . . . . . . . . 4116 1 437 . 1 1 43 43 MET HE2 H 1 1.97 . . 1 . . . . . . . . 4116 1 438 . 1 1 43 43 MET HE3 H 1 1.97 . . 1 . . . . . . . . 4116 1 439 . 1 1 43 43 MET CE C 13 18.80 . . 1 . . . . . . . . 4116 1 440 . 1 1 44 44 THR H H 1 7.88 . . 1 . . . . . . . . 4116 1 441 . 1 1 44 44 THR N N 15 106.10 . . 1 . . . . . . . . 4116 1 442 . 1 1 44 44 THR HA H 1 3.54 . . 1 . . . . . . . . 4116 1 443 . 1 1 44 44 THR CA C 13 63.63 . . 1 . . . . . . . . 4116 1 444 . 1 1 44 44 THR HB H 1 3.80 . . 1 . . . . . . . . 4116 1 445 . 1 1 44 44 THR CB C 13 67.57 . . 1 . . . . . . . . 4116 1 446 . 1 1 44 44 THR HG21 H 1 0.77 . . 1 . . . . . . . . 4116 1 447 . 1 1 44 44 THR HG22 H 1 0.77 . . 1 . . . . . . . . 4116 1 448 . 1 1 44 44 THR HG23 H 1 0.77 . . 1 . . . . . . . . 4116 1 449 . 1 1 44 44 THR CG2 C 13 20.86 . . 1 . . . . . . . . 4116 1 450 . 1 1 45 45 GLU H H 1 7.36 . . 1 . . . . . . . . 4116 1 451 . 1 1 45 45 GLU N N 15 111.90 . . 1 . . . . . . . . 4116 1 452 . 1 1 45 45 GLU HA H 1 3.89 . . 1 . . . . . . . . 4116 1 453 . 1 1 45 45 GLU CA C 13 55.56 . . 1 . . . . . . . . 4116 1 454 . 1 1 45 45 GLU HB2 H 1 2.47 . . 1 . . . . . . . . 4116 1 455 . 1 1 45 45 GLU CB C 13 27.03 . . 1 . . . . . . . . 4116 1 456 . 1 1 45 45 GLU HG2 H 1 2.25 . . 1 . . . . . . . . 4116 1 457 . 1 1 45 45 GLU HG3 H 1 2.19 . . 1 . . . . . . . . 4116 1 458 . 1 1 45 45 GLU CG C 13 35.80 . . 1 . . . . . . . . 4116 1 459 . 1 1 46 46 HIS H H 1 7.47 . . 1 . . . . . . . . 4116 1 460 . 1 1 46 46 HIS N N 15 120.40 . . 1 . . . . . . . . 4116 1 461 . 1 1 46 46 HIS HA H 1 2.99 . . 1 . . . . . . . . 4116 1 462 . 1 1 46 46 HIS CA C 13 53.78 . . 1 . . . . . . . . 4116 1 463 . 1 1 46 46 HIS HB2 H 1 2.66 . . 1 . . . . . . . . 4116 1 464 . 1 1 46 46 HIS CB C 13 29.58 . . 1 . . . . . . . . 4116 1 465 . 1 1 46 46 HIS HD2 H 1 6.18 . . 1 . . . . . . . . 4116 1 466 . 1 1 46 46 HIS HE1 H 1 7.60 . . 1 . . . . . . . . 4116 1 467 . 1 1 47 47 PRO HA H 1 4.24 . . 1 . . . . . . . . 4116 1 468 . 1 1 47 47 PRO CA C 13 62.83 . . 1 . . . . . . . . 4116 1 469 . 1 1 47 47 PRO HB2 H 1 2.28 . . 1 . . . . . . . . 4116 1 470 . 1 1 47 47 PRO HB3 H 1 1.90 . . 1 . . . . . . . . 4116 1 471 . 1 1 47 47 PRO CB C 13 29.99 . . 1 . . . . . . . . 4116 1 472 . 1 1 47 47 PRO HG2 H 1 1.83 . . 1 . . . . . . . . 4116 1 473 . 1 1 47 47 PRO HG3 H 1 1.66 . . 1 . . . . . . . . 4116 1 474 . 1 1 47 47 PRO CG C 13 24.78 . . 1 . . . . . . . . 4116 1 475 . 1 1 47 47 PRO HD2 H 1 2.70 . . 1 . . . . . . . . 4116 1 476 . 1 1 47 47 PRO HD3 H 1 1.12 . . 1 . . . . . . . . 4116 1 477 . 1 1 47 47 PRO CD C 13 48.34 . . 1 . . . . . . . . 4116 1 478 . 1 1 48 48 SER H H 1 11.07 . . 1 . . . . . . . . 4116 1 479 . 1 1 48 48 SER N N 15 118.70 . . 1 . . . . . . . . 4116 1 480 . 1 1 48 48 SER HA H 1 4.59 . . 1 . . . . . . . . 4116 1 481 . 1 1 48 48 SER CA C 13 58.11 . . 1 . . . . . . . . 4116 1 482 . 1 1 48 48 SER HB2 H 1 3.93 . . 1 . . . . . . . . 4116 1 483 . 1 1 48 48 SER HB3 H 1 3.88 . . 1 . . . . . . . . 4116 1 484 . 1 1 48 48 SER CB C 13 61.33 . . 1 . . . . . . . . 4116 1 485 . 1 1 49 49 GLY H H 1 8.19 . . 1 . . . . . . . . 4116 1 486 . 1 1 49 49 GLY N N 15 109.40 . . 1 . . . . . . . . 4116 1 487 . 1 1 49 49 GLY HA2 H 1 4.14 . . 1 . . . . . . . . 4116 1 488 . 1 1 49 49 GLY HA3 H 1 3.87 . . 1 . . . . . . . . 4116 1 489 . 1 1 49 49 GLY CA C 13 45.14 . . 1 . . . . . . . . 4116 1 490 . 1 1 50 50 SER H H 1 10.14 . . 1 . . . . . . . . 4116 1 491 . 1 1 50 50 SER N N 15 121.05 . . 1 . . . . . . . . 4116 1 492 . 1 1 50 50 SER HA H 1 4.08 . . 1 . . . . . . . . 4116 1 493 . 1 1 50 50 SER CA C 13 58.69 . . 1 . . . . . . . . 4116 1 494 . 1 1 50 50 SER HB2 H 1 4.32 . . 1 . . . . . . . . 4116 1 495 . 1 1 50 50 SER HB3 H 1 4.06 . . 1 . . . . . . . . 4116 1 496 . 1 1 50 50 SER CB C 13 61.10 . . 1 . . . . . . . . 4116 1 497 . 1 1 51 51 ASP H H 1 8.78 . . 1 . . . . . . . . 4116 1 498 . 1 1 51 51 ASP N N 15 127.40 . . 1 . . . . . . . . 4116 1 499 . 1 1 51 51 ASP HA H 1 4.63 . . 1 . . . . . . . . 4116 1 500 . 1 1 51 51 ASP CA C 13 55.45 . . 1 . . . . . . . . 4116 1 501 . 1 1 51 51 ASP HB2 H 1 3.22 . . 1 . . . . . . . . 4116 1 502 . 1 1 51 51 ASP HB3 H 1 2.87 . . 1 . . . . . . . . 4116 1 503 . 1 1 51 51 ASP CB C 13 37.17 . . 1 . . . . . . . . 4116 1 504 . 1 1 52 52 LEU H H 1 7.41 . . 1 . . . . . . . . 4116 1 505 . 1 1 52 52 LEU N N 15 115.50 . . 1 . . . . . . . . 4116 1 506 . 1 1 52 52 LEU HA H 1 3.90 . . 1 . . . . . . . . 4116 1 507 . 1 1 52 52 LEU CA C 13 55.42 . . 1 . . . . . . . . 4116 1 508 . 1 1 52 52 LEU HB2 H 1 1.65 . . 1 . . . . . . . . 4116 1 509 . 1 1 52 52 LEU HB3 H 1 1.38 . . 1 . . . . . . . . 4116 1 510 . 1 1 52 52 LEU CB C 13 41.51 . . 1 . . . . . . . . 4116 1 511 . 1 1 52 52 LEU HG H 1 1.51 . . 1 . . . . . . . . 4116 1 512 . 1 1 52 52 LEU CG C 13 24.73 . . 1 . . . . . . . . 4116 1 513 . 1 1 52 52 LEU HD11 H 1 0.51 . . 1 . . . . . . . . 4116 1 514 . 1 1 52 52 LEU HD12 H 1 0.51 . . 1 . . . . . . . . 4116 1 515 . 1 1 52 52 LEU HD13 H 1 0.51 . . 1 . . . . . . . . 4116 1 516 . 1 1 52 52 LEU HD21 H 1 0.37 . . 1 . . . . . . . . 4116 1 517 . 1 1 52 52 LEU HD22 H 1 0.37 . . 1 . . . . . . . . 4116 1 518 . 1 1 52 52 LEU HD23 H 1 0.37 . . 1 . . . . . . . . 4116 1 519 . 1 1 52 52 LEU CD1 C 13 20.43 . . 1 . . . . . . . . 4116 1 520 . 1 1 52 52 LEU CD2 C 13 22.97 . . 1 . . . . . . . . 4116 1 521 . 1 1 53 53 ILE H H 1 6.89 . . 1 . . . . . . . . 4116 1 522 . 1 1 53 53 ILE N N 15 112.00 . . 1 . . . . . . . . 4116 1 523 . 1 1 53 53 ILE HA H 1 3.54 . . 1 . . . . . . . . 4116 1 524 . 1 1 53 53 ILE CA C 13 60.27 . . 1 . . . . . . . . 4116 1 525 . 1 1 53 53 ILE HB H 1 1.10 . . 1 . . . . . . . . 4116 1 526 . 1 1 53 53 ILE CB C 13 37.74 . . 1 . . . . . . . . 4116 1 527 . 1 1 53 53 ILE HG12 H 1 0.88 . . 1 . . . . . . . . 4116 1 528 . 1 1 53 53 ILE HG13 H 1 0.35 . . 1 . . . . . . . . 4116 1 529 . 1 1 53 53 ILE CG1 C 13 26.02 . . 1 . . . . . . . . 4116 1 530 . 1 1 53 53 ILE HG21 H 1 -0.07 . . 1 . . . . . . . . 4116 1 531 . 1 1 53 53 ILE HG22 H 1 -0.07 . . 1 . . . . . . . . 4116 1 532 . 1 1 53 53 ILE HG23 H 1 -0.07 . . 1 . . . . . . . . 4116 1 533 . 1 1 53 53 ILE CG2 C 13 14.35 . . 1 . . . . . . . . 4116 1 534 . 1 1 53 53 ILE HD11 H 1 -0.15 . . 1 . . . . . . . . 4116 1 535 . 1 1 53 53 ILE HD12 H 1 -0.15 . . 1 . . . . . . . . 4116 1 536 . 1 1 53 53 ILE HD13 H 1 -0.15 . . 1 . . . . . . . . 4116 1 537 . 1 1 53 53 ILE CD1 C 13 10.90 . . 1 . . . . . . . . 4116 1 538 . 1 1 54 54 TYR H H 1 7.39 . . 1 . . . . . . . . 4116 1 539 . 1 1 54 54 TYR N N 15 114.70 . . 1 . . . . . . . . 4116 1 540 . 1 1 54 54 TYR HA H 1 4.20 . . 1 . . . . . . . . 4116 1 541 . 1 1 54 54 TYR CA C 13 58.50 . . 1 . . . . . . . . 4116 1 542 . 1 1 54 54 TYR HB2 H 1 2.69 . . 1 . . . . . . . . 4116 1 543 . 1 1 54 54 TYR HB3 H 1 2.56 . . 1 . . . . . . . . 4116 1 544 . 1 1 54 54 TYR CB C 13 38.05 . . 1 . . . . . . . . 4116 1 545 . 1 1 54 54 TYR HD1 H 1 7.14 . . 1 . . . . . . . . 4116 1 546 . 1 1 54 54 TYR HD2 H 1 7.14 . . 1 . . . . . . . . 4116 1 547 . 1 1 54 54 TYR HE1 H 1 6.71 . . 1 . . . . . . . . 4116 1 548 . 1 1 54 54 TYR HE2 H 1 6.71 . . 1 . . . . . . . . 4116 1 549 . 1 1 55 55 TYR H H 1 8.81 . . 1 . . . . . . . . 4116 1 550 . 1 1 55 55 TYR N N 15 118.30 . . 1 . . . . . . . . 4116 1 551 . 1 1 55 55 TYR HA H 1 4.98 . . 1 . . . . . . . . 4116 1 552 . 1 1 55 55 TYR CA C 13 53.65 . . 1 . . . . . . . . 4116 1 553 . 1 1 55 55 TYR HB2 H 1 3.20 . . 1 . . . . . . . . 4116 1 554 . 1 1 55 55 TYR HB3 H 1 2.56 . . 1 . . . . . . . . 4116 1 555 . 1 1 55 55 TYR CB C 13 37.54 . . 1 . . . . . . . . 4116 1 556 . 1 1 55 55 TYR HD1 H 1 7.20 . . 1 . . . . . . . . 4116 1 557 . 1 1 55 55 TYR HD2 H 1 7.20 . . 1 . . . . . . . . 4116 1 558 . 1 1 55 55 TYR HE1 H 1 6.82 . . 1 . . . . . . . . 4116 1 559 . 1 1 55 55 TYR HE2 H 1 6.82 . . 1 . . . . . . . . 4116 1 560 . 1 1 56 56 PRO HA H 1 4.37 . . 1 . . . . . . . . 4116 1 561 . 1 1 56 56 PRO CA C 13 60.98 . . 1 . . . . . . . . 4116 1 562 . 1 1 56 56 PRO HB2 H 1 2.25 . . 1 . . . . . . . . 4116 1 563 . 1 1 56 56 PRO CB C 13 29.41 . . 1 . . . . . . . . 4116 1 564 . 1 1 56 56 PRO HG2 H 1 1.96 . . 1 . . . . . . . . 4116 1 565 . 1 1 56 56 PRO HG3 H 1 1.93 . . 1 . . . . . . . . 4116 1 566 . 1 1 56 56 PRO CG C 13 25.26 . . 1 . . . . . . . . 4116 1 567 . 1 1 56 56 PRO HD2 H 1 3.42 . . 1 . . . . . . . . 4116 1 568 . 1 1 56 56 PRO HD3 H 1 3.15 . . 1 . . . . . . . . 4116 1 569 . 1 1 56 56 PRO CD C 13 48.27 . . 1 . . . . . . . . 4116 1 570 . 1 1 57 57 LYS H H 1 8.86 . . 1 . . . . . . . . 4116 1 571 . 1 1 57 57 LYS N N 15 123.40 . . 1 . . . . . . . . 4116 1 572 . 1 1 57 57 LYS HA H 1 4.31 . . 1 . . . . . . . . 4116 1 573 . 1 1 57 57 LYS CA C 13 53.33 . . 1 . . . . . . . . 4116 1 574 . 1 1 57 57 LYS HB2 H 1 1.81 . . 1 . . . . . . . . 4116 1 575 . 1 1 57 57 LYS CB C 13 30.76 . . 1 . . . . . . . . 4116 1 576 . 1 1 57 57 LYS HG2 H 1 1.57 . . 1 . . . . . . . . 4116 1 577 . 1 1 57 57 LYS CG C 13 22.67 . . 1 . . . . . . . . 4116 1 578 . 1 1 57 57 LYS HD2 H 1 1.75 . . 1 . . . . . . . . 4116 1 579 . 1 1 57 57 LYS CD C 13 26.68 . . 1 . . . . . . . . 4116 1 580 . 1 1 57 57 LYS HE2 H 1 3.11 . . 1 . . . . . . . . 4116 1 581 . 1 1 57 57 LYS HE3 H 1 3.11 . . 1 . . . . . . . . 4116 1 582 . 1 1 57 57 LYS CE C 13 40.26 . . 1 . . . . . . . . 4116 1 583 . 1 1 58 58 GLU H H 1 8.71 . . 1 . . . . . . . . 4116 1 584 . 1 1 58 58 GLU N N 15 124.20 . . 1 . . . . . . . . 4116 1 585 . 1 1 58 58 GLU HA H 1 4.08 . . 1 . . . . . . . . 4116 1 586 . 1 1 58 58 GLU CA C 13 56.35 . . 1 . . . . . . . . 4116 1 587 . 1 1 58 58 GLU HB2 H 1 2.06 . . 1 . . . . . . . . 4116 1 588 . 1 1 58 58 GLU HB3 H 1 1.98 . . 1 . . . . . . . . 4116 1 589 . 1 1 58 58 GLU CB C 13 27.15 . . 1 . . . . . . . . 4116 1 590 . 1 1 58 58 GLU HG2 H 1 2.31 . . 1 . . . . . . . . 4116 1 591 . 1 1 58 58 GLU CG C 13 33.97 . . 1 . . . . . . . . 4116 1 592 . 1 1 59 59 GLY H H 1 8.94 . . 1 . . . . . . . . 4116 1 593 . 1 1 59 59 GLY N N 15 115.10 . . 1 . . . . . . . . 4116 1 594 . 1 1 59 59 GLY HA2 H 1 4.31 . . 1 . . . . . . . . 4116 1 595 . 1 1 59 59 GLY HA3 H 1 3.75 . . 1 . . . . . . . . 4116 1 596 . 1 1 59 59 GLY CA C 13 43.14 . . 1 . . . . . . . . 4116 1 597 . 1 1 60 60 ASP H H 1 8.04 . . 1 . . . . . . . . 4116 1 598 . 1 1 60 60 ASP N N 15 122.50 . . 1 . . . . . . . . 4116 1 599 . 1 1 60 60 ASP HA H 1 4.71 . . 1 . . . . . . . . 4116 1 600 . 1 1 60 60 ASP CA C 13 52.12 . . 1 . . . . . . . . 4116 1 601 . 1 1 60 60 ASP HB2 H 1 2.89 . . 1 . . . . . . . . 4116 1 602 . 1 1 60 60 ASP HB3 H 1 2.62 . . 1 . . . . . . . . 4116 1 603 . 1 1 60 60 ASP CB C 13 38.60 . . 1 . . . . . . . . 4116 1 604 . 1 1 61 61 ASP H H 1 8.69 . . 1 . . . . . . . . 4116 1 605 . 1 1 61 61 ASP N N 15 122.00 . . 1 . . . . . . . . 4116 1 606 . 1 1 61 61 ASP HA H 1 4.63 . . 1 . . . . . . . . 4116 1 607 . 1 1 61 61 ASP CA C 13 51.64 . . 1 . . . . . . . . 4116 1 608 . 1 1 62 62 ASP H H 1 8.41 . . 1 . . . . . . . . 4116 1 609 . 1 1 62 62 ASP N N 15 126.10 . . 1 . . . . . . . . 4116 1 610 . 1 1 62 62 ASP HA H 1 4.48 . . 1 . . . . . . . . 4116 1 611 . 1 1 62 62 ASP CA C 13 50.92 . . 1 . . . . . . . . 4116 1 612 . 1 1 62 62 ASP HB2 H 1 2.98 . . 1 . . . . . . . . 4116 1 613 . 1 1 62 62 ASP HB3 H 1 2.37 . . 1 . . . . . . . . 4116 1 614 . 1 1 62 62 ASP CB C 13 37.97 . . 1 . . . . . . . . 4116 1 615 . 1 1 63 63 SER H H 1 8.16 . . 1 . . . . . . . . 4116 1 616 . 1 1 63 63 SER N N 15 116.30 . . 1 . . . . . . . . 4116 1 617 . 1 1 63 63 SER HA H 1 4.63 . . 1 . . . . . . . . 4116 1 618 . 1 1 63 63 SER CA C 13 55.45 . . 1 . . . . . . . . 4116 1 619 . 1 1 63 63 SER HB2 H 1 4.23 . . 1 . . . . . . . . 4116 1 620 . 1 1 63 63 SER HB3 H 1 4.12 . . 1 . . . . . . . . 4116 1 621 . 1 1 63 63 SER CB C 13 61.10 . . 1 . . . . . . . . 4116 1 622 . 1 1 64 64 PRO HA H 1 4.09 . . 1 . . . . . . . . 4116 1 623 . 1 1 64 64 PRO CA C 13 64.69 . . 1 . . . . . . . . 4116 1 624 . 1 1 64 64 PRO HB2 H 1 2.07 . . 1 . . . . . . . . 4116 1 625 . 1 1 64 64 PRO HB3 H 1 1.96 . . 1 . . . . . . . . 4116 1 626 . 1 1 64 64 PRO CB C 13 30.35 . . 1 . . . . . . . . 4116 1 627 . 1 1 64 64 PRO HG2 H 1 2.08 . . 1 . . . . . . . . 4116 1 628 . 1 1 64 64 PRO CG C 13 26.54 . . 1 . . . . . . . . 4116 1 629 . 1 1 64 64 PRO HD2 H 1 3.93 . . 1 . . . . . . . . 4116 1 630 . 1 1 64 64 PRO HD3 H 1 3.89 . . 1 . . . . . . . . 4116 1 631 . 1 1 64 64 PRO CD C 13 47.20 . . 1 . . . . . . . . 4116 1 632 . 1 1 65 65 SER H H 1 8.31 . . 1 . . . . . . . . 4116 1 633 . 1 1 65 65 SER N N 15 110.50 . . 1 . . . . . . . . 4116 1 634 . 1 1 65 65 SER HA H 1 4.03 . . 1 . . . . . . . . 4116 1 635 . 1 1 65 65 SER CA C 13 59.73 . . 1 . . . . . . . . 4116 1 636 . 1 1 65 65 SER HB2 H 1 3.91 . . 1 . . . . . . . . 4116 1 637 . 1 1 65 65 SER HB3 H 1 3.84 . . 1 . . . . . . . . 4116 1 638 . 1 1 65 65 SER CB C 13 60.42 . . 1 . . . . . . . . 4116 1 639 . 1 1 66 66 GLY H H 1 8.11 . . 1 . . . . . . . . 4116 1 640 . 1 1 66 66 GLY N N 15 115.60 . . 1 . . . . . . . . 4116 1 641 . 1 1 66 66 GLY HA2 H 1 3.90 . . 1 . . . . . . . . 4116 1 642 . 1 1 66 66 GLY HA3 H 1 3.82 . . 1 . . . . . . . . 4116 1 643 . 1 1 66 66 GLY CA C 13 45.04 . . 1 . . . . . . . . 4116 1 644 . 1 1 67 67 ILE H H 1 8.82 . . 1 . . . . . . . . 4116 1 645 . 1 1 67 67 ILE N N 15 125.90 . . 1 . . . . . . . . 4116 1 646 . 1 1 67 67 ILE HA H 1 3.90 . . 1 . . . . . . . . 4116 1 647 . 1 1 67 67 ILE CA C 13 63.47 . . 1 . . . . . . . . 4116 1 648 . 1 1 67 67 ILE HB H 1 1.89 . . 1 . . . . . . . . 4116 1 649 . 1 1 67 67 ILE CB C 13 36.37 . . 1 . . . . . . . . 4116 1 650 . 1 1 67 67 ILE HG12 H 1 1.73 . . 1 . . . . . . . . 4116 1 651 . 1 1 67 67 ILE HG13 H 1 1.73 . . 1 . . . . . . . . 4116 1 652 . 1 1 67 67 ILE CG1 C 13 27.26 . . 1 . . . . . . . . 4116 1 653 . 1 1 67 67 ILE HG21 H 1 0.87 . . 1 . . . . . . . . 4116 1 654 . 1 1 67 67 ILE HG22 H 1 0.87 . . 1 . . . . . . . . 4116 1 655 . 1 1 67 67 ILE HG23 H 1 0.87 . . 1 . . . . . . . . 4116 1 656 . 1 1 67 67 ILE CG2 C 13 15.60 . . 1 . . . . . . . . 4116 1 657 . 1 1 67 67 ILE HD11 H 1 0.46 . . 1 . . . . . . . . 4116 1 658 . 1 1 67 67 ILE HD12 H 1 0.46 . . 1 . . . . . . . . 4116 1 659 . 1 1 67 67 ILE HD13 H 1 0.46 . . 1 . . . . . . . . 4116 1 660 . 1 1 67 67 ILE CD1 C 13 13.16 . . 1 . . . . . . . . 4116 1 661 . 1 1 68 68 VAL H H 1 8.40 . . 1 . . . . . . . . 4116 1 662 . 1 1 68 68 VAL N N 15 119.92 . . 1 . . . . . . . . 4116 1 663 . 1 1 68 68 VAL HA H 1 3.65 . . 1 . . . . . . . . 4116 1 664 . 1 1 68 68 VAL CA C 13 66.67 . . 1 . . . . . . . . 4116 1 665 . 1 1 68 68 VAL HB H 1 2.41 . . 1 . . . . . . . . 4116 1 666 . 1 1 68 68 VAL CB C 13 29.19 . . 1 . . . . . . . . 4116 1 667 . 1 1 68 68 VAL HG11 H 1 1.27 . . 1 . . . . . . . . 4116 1 668 . 1 1 68 68 VAL HG12 H 1 1.27 . . 1 . . . . . . . . 4116 1 669 . 1 1 68 68 VAL HG13 H 1 1.27 . . 1 . . . . . . . . 4116 1 670 . 1 1 68 68 VAL CG1 C 13 23.16 . . 1 . . . . . . . . 4116 1 671 . 1 1 68 68 VAL HG21 H 1 1.23 . . 1 . . . . . . . . 4116 1 672 . 1 1 68 68 VAL HG22 H 1 1.23 . . 1 . . . . . . . . 4116 1 673 . 1 1 68 68 VAL HG23 H 1 1.23 . . 1 . . . . . . . . 4116 1 674 . 1 1 68 68 VAL CG2 C 13 20.28 . . 1 . . . . . . . . 4116 1 675 . 1 1 69 69 ASN H H 1 8.40 . . 1 . . . . . . . . 4116 1 676 . 1 1 69 69 ASN N N 15 119.40 . . 1 . . . . . . . . 4116 1 677 . 1 1 69 69 ASN HA H 1 4.61 . . 1 . . . . . . . . 4116 1 678 . 1 1 69 69 ASN CA C 13 55.21 . . 1 . . . . . . . . 4116 1 679 . 1 1 69 69 ASN HB2 H 1 3.07 . . 1 . . . . . . . . 4116 1 680 . 1 1 69 69 ASN HB3 H 1 3.01 . . 1 . . . . . . . . 4116 1 681 . 1 1 69 69 ASN CB C 13 36.29 . . 1 . . . . . . . . 4116 1 682 . 1 1 69 69 ASN HD21 H 1 7.90 . . 1 . . . . . . . . 4116 1 683 . 1 1 69 69 ASN HD22 H 1 7.03 . . 1 . . . . . . . . 4116 1 684 . 1 1 69 69 ASN ND2 N 15 114.40 . . 1 . . . . . . . . 4116 1 685 . 1 1 70 70 THR H H 1 8.87 . . 1 . . . . . . . . 4116 1 686 . 1 1 70 70 THR N N 15 121.10 . . 1 . . . . . . . . 4116 1 687 . 1 1 70 70 THR HA H 1 4.06 . . 1 . . . . . . . . 4116 1 688 . 1 1 70 70 THR CA C 13 65.61 . . 1 . . . . . . . . 4116 1 689 . 1 1 70 70 THR HB H 1 4.54 . . 1 . . . . . . . . 4116 1 690 . 1 1 70 70 THR CB C 13 66.27 . . 1 . . . . . . . . 4116 1 691 . 1 1 70 70 THR HG21 H 1 1.24 . . 1 . . . . . . . . 4116 1 692 . 1 1 70 70 THR HG22 H 1 1.24 . . 1 . . . . . . . . 4116 1 693 . 1 1 70 70 THR HG23 H 1 1.24 . . 1 . . . . . . . . 4116 1 694 . 1 1 70 70 THR CG2 C 13 20.47 . . 1 . . . . . . . . 4116 1 695 . 1 1 71 71 VAL H H 1 8.61 . . 1 . . . . . . . . 4116 1 696 . 1 1 71 71 VAL N N 15 122.60 . . 1 . . . . . . . . 4116 1 697 . 1 1 71 71 VAL HA H 1 3.66 . . 1 . . . . . . . . 4116 1 698 . 1 1 71 71 VAL CA C 13 66.24 . . 1 . . . . . . . . 4116 1 699 . 1 1 71 71 VAL HB H 1 2.55 . . 1 . . . . . . . . 4116 1 700 . 1 1 71 71 VAL CB C 13 29.99 . . 1 . . . . . . . . 4116 1 701 . 1 1 71 71 VAL HG11 H 1 1.14 . . 1 . . . . . . . . 4116 1 702 . 1 1 71 71 VAL HG12 H 1 1.14 . . 1 . . . . . . . . 4116 1 703 . 1 1 71 71 VAL HG13 H 1 1.14 . . 1 . . . . . . . . 4116 1 704 . 1 1 71 71 VAL CG1 C 13 21.20 . . 1 . . . . . . . . 4116 1 705 . 1 1 71 71 VAL HG21 H 1 0.81 . . 1 . . . . . . . . 4116 1 706 . 1 1 71 71 VAL HG22 H 1 0.81 . . 1 . . . . . . . . 4116 1 707 . 1 1 71 71 VAL HG23 H 1 0.81 . . 1 . . . . . . . . 4116 1 708 . 1 1 71 71 VAL CG2 C 13 18.84 . . 1 . . . . . . . . 4116 1 709 . 1 1 72 72 LYS H H 1 9.27 . . 1 . . . . . . . . 4116 1 710 . 1 1 72 72 LYS N N 15 121.40 . . 1 . . . . . . . . 4116 1 711 . 1 1 72 72 LYS HA H 1 3.98 . . 1 . . . . . . . . 4116 1 712 . 1 1 72 72 LYS CA C 13 57.92 . . 1 . . . . . . . . 4116 1 713 . 1 1 72 72 LYS HB2 H 1 2.19 . . 1 . . . . . . . . 4116 1 714 . 1 1 72 72 LYS CB C 13 31.49 . . 1 . . . . . . . . 4116 1 715 . 1 1 72 72 LYS HG2 H 1 1.78 . . 1 . . . . . . . . 4116 1 716 . 1 1 72 72 LYS HG3 H 1 1.63 . . 1 . . . . . . . . 4116 1 717 . 1 1 72 72 LYS CG C 13 22.94 . . 1 . . . . . . . . 4116 1 718 . 1 1 72 72 LYS HD2 H 1 1.93 . . 1 . . . . . . . . 4116 1 719 . 1 1 72 72 LYS CD C 13 28.25 . . 1 . . . . . . . . 4116 1 720 . 1 1 72 72 LYS HE2 H 1 3.16 . . 1 . . . . . . . . 4116 1 721 . 1 1 72 72 LYS HE3 H 1 3.16 . . 1 . . . . . . . . 4116 1 722 . 1 1 72 72 LYS CE C 13 40.01 . . 1 . . . . . . . . 4116 1 723 . 1 1 73 73 GLN H H 1 8.80 . . 1 . . . . . . . . 4116 1 724 . 1 1 73 73 GLN N N 15 118.80 . . 1 . . . . . . . . 4116 1 725 . 1 1 73 73 GLN HA H 1 4.23 . . 1 . . . . . . . . 4116 1 726 . 1 1 73 73 GLN CA C 13 56.59 . . 1 . . . . . . . . 4116 1 727 . 1 1 73 73 GLN HB2 H 1 2.30 . . 1 . . . . . . . . 4116 1 728 . 1 1 73 73 GLN HB3 H 1 2.30 . . 1 . . . . . . . . 4116 1 729 . 1 1 73 73 GLN CB C 13 26.30 . . 1 . . . . . . . . 4116 1 730 . 1 1 73 73 GLN HG2 H 1 2.72 . . 1 . . . . . . . . 4116 1 731 . 1 1 73 73 GLN HG3 H 1 2.59 . . 1 . . . . . . . . 4116 1 732 . 1 1 73 73 GLN CG C 13 31.84 . . 1 . . . . . . . . 4116 1 733 . 1 1 73 73 GLN HE21 H 1 7.68 . . 1 . . . . . . . . 4116 1 734 . 1 1 73 73 GLN HE22 H 1 7.03 . . 1 . . . . . . . . 4116 1 735 . 1 1 73 73 GLN NE2 N 15 92.49 . . 1 . . . . . . . . 4116 1 736 . 1 1 74 74 TRP H H 1 8.57 . . 1 . . . . . . . . 4116 1 737 . 1 1 74 74 TRP N N 15 122.50 . . 1 . . . . . . . . 4116 1 738 . 1 1 74 74 TRP HA H 1 4.26 . . 1 . . . . . . . . 4116 1 739 . 1 1 74 74 TRP CA C 13 61.10 . . 1 . . . . . . . . 4116 1 740 . 1 1 74 74 TRP HB2 H 1 3.68 . . 1 . . . . . . . . 4116 1 741 . 1 1 74 74 TRP HB3 H 1 3.54 . . 1 . . . . . . . . 4116 1 742 . 1 1 74 74 TRP CB C 13 26.95 . . 1 . . . . . . . . 4116 1 743 . 1 1 74 74 TRP HD1 H 1 7.29 . . 1 . . . . . . . . 4116 1 744 . 1 1 74 74 TRP HE1 H 1 10.21 . . 1 . . . . . . . . 4116 1 745 . 1 1 74 74 TRP HE3 H 1 7.38 . . 1 . . . . . . . . 4116 1 746 . 1 1 74 74 TRP HZ2 H 1 7.32 . . 1 . . . . . . . . 4116 1 747 . 1 1 74 74 TRP HZ3 H 1 7.02 . . 1 . . . . . . . . 4116 1 748 . 1 1 74 74 TRP HH2 H 1 7.02 . . 1 . . . . . . . . 4116 1 749 . 1 1 75 75 ARG H H 1 9.08 . . 1 . . . . . . . . 4116 1 750 . 1 1 75 75 ARG N N 15 119.60 . . 1 . . . . . . . . 4116 1 751 . 1 1 75 75 ARG HA H 1 3.30 . . 1 . . . . . . . . 4116 1 752 . 1 1 75 75 ARG CA C 13 59.17 . . 1 . . . . . . . . 4116 1 753 . 1 1 75 75 ARG HB2 H 1 2.37 . . 1 . . . . . . . . 4116 1 754 . 1 1 75 75 ARG HB3 H 1 1.82 . . 1 . . . . . . . . 4116 1 755 . 1 1 75 75 ARG CB C 13 27.83 . . 1 . . . . . . . . 4116 1 756 . 1 1 75 75 ARG HD2 H 1 3.32 . . 1 . . . . . . . . 4116 1 757 . 1 1 75 75 ARG HD3 H 1 3.10 . . 1 . . . . . . . . 4116 1 758 . 1 1 75 75 ARG CD C 13 40.09 . . 1 . . . . . . . . 4116 1 759 . 1 1 75 75 ARG HE H 1 7.51 . . 1 . . . . . . . . 4116 1 760 . 1 1 75 75 ARG HH21 H 1 6.85 . . 1 . . . . . . . . 4116 1 761 . 1 1 75 75 ARG HH22 H 1 6.85 . . 1 . . . . . . . . 4116 1 762 . 1 1 76 76 ALA H H 1 7.79 . . 1 . . . . . . . . 4116 1 763 . 1 1 76 76 ALA N N 15 121.10 . . 1 . . . . . . . . 4116 1 764 . 1 1 76 76 ALA HA H 1 4.20 . . 1 . . . . . . . . 4116 1 765 . 1 1 76 76 ALA CA C 13 53.11 . . 1 . . . . . . . . 4116 1 766 . 1 1 76 76 ALA HB1 H 1 1.50 . . 1 . . . . . . . . 4116 1 767 . 1 1 76 76 ALA HB2 H 1 1.50 . . 1 . . . . . . . . 4116 1 768 . 1 1 76 76 ALA HB3 H 1 1.50 . . 1 . . . . . . . . 4116 1 769 . 1 1 76 76 ALA CB C 13 15.90 . . 1 . . . . . . . . 4116 1 770 . 1 1 77 77 ALA H H 1 8.10 . . 1 . . . . . . . . 4116 1 771 . 1 1 77 77 ALA N N 15 120.50 . . 1 . . . . . . . . 4116 1 772 . 1 1 77 77 ALA HA H 1 4.17 . . 1 . . . . . . . . 4116 1 773 . 1 1 77 77 ALA CA C 13 51.90 . . 1 . . . . . . . . 4116 1 774 . 1 1 77 77 ALA HB1 H 1 1.43 . . 1 . . . . . . . . 4116 1 775 . 1 1 77 77 ALA HB2 H 1 1.43 . . 1 . . . . . . . . 4116 1 776 . 1 1 77 77 ALA HB3 H 1 1.43 . . 1 . . . . . . . . 4116 1 777 . 1 1 77 77 ALA CB C 13 16.32 . . 1 . . . . . . . . 4116 1 778 . 1 1 78 78 ASN H H 1 7.13 . . 1 . . . . . . . . 4116 1 779 . 1 1 78 78 ASN N N 15 114.30 . . 1 . . . . . . . . 4116 1 780 . 1 1 78 78 ASN HA H 1 4.56 . . 1 . . . . . . . . 4116 1 781 . 1 1 78 78 ASN CA C 13 51.22 . . 1 . . . . . . . . 4116 1 782 . 1 1 78 78 ASN HB2 H 1 2.33 . . 1 . . . . . . . . 4116 1 783 . 1 1 78 78 ASN HB3 H 1 1.30 . . 1 . . . . . . . . 4116 1 784 . 1 1 78 78 ASN CB C 13 36.98 . . 1 . . . . . . . . 4116 1 785 . 1 1 78 78 ASN HD21 H 1 6.53 . . 1 . . . . . . . . 4116 1 786 . 1 1 78 78 ASN HD22 H 1 6.46 . . 1 . . . . . . . . 4116 1 787 . 1 1 78 78 ASN ND2 N 15 116.40 . . 1 . . . . . . . . 4116 1 788 . 1 1 79 79 GLY H H 1 7.66 . . 1 . . . . . . . . 4116 1 789 . 1 1 79 79 GLY N N 15 108.50 . . 1 . . . . . . . . 4116 1 790 . 1 1 79 79 GLY HA2 H 1 3.87 . . 1 . . . . . . . . 4116 1 791 . 1 1 79 79 GLY HA3 H 1 3.87 . . 1 . . . . . . . . 4116 1 792 . 1 1 79 79 GLY CA C 13 45.03 . . 1 . . . . . . . . 4116 1 793 . 1 1 80 80 LYS H H 1 8.11 . . 1 . . . . . . . . 4116 1 794 . 1 1 80 80 LYS N N 15 118.80 . . 1 . . . . . . . . 4116 1 795 . 1 1 80 80 LYS HA H 1 4.57 . . 1 . . . . . . . . 4116 1 796 . 1 1 80 80 LYS CA C 13 52.08 . . 1 . . . . . . . . 4116 1 797 . 1 1 80 80 LYS HB2 H 1 2.00 . . 1 . . . . . . . . 4116 1 798 . 1 1 80 80 LYS HB3 H 1 1.39 . . 1 . . . . . . . . 4116 1 799 . 1 1 80 80 LYS CB C 13 31.67 . . 1 . . . . . . . . 4116 1 800 . 1 1 80 80 LYS HG2 H 1 1.31 . . 1 . . . . . . . . 4116 1 801 . 1 1 80 80 LYS HG3 H 1 1.13 . . 1 . . . . . . . . 4116 1 802 . 1 1 80 80 LYS CG C 13 23.19 . . 1 . . . . . . . . 4116 1 803 . 1 1 80 80 LYS HD2 H 1 1.67 . . 1 . . . . . . . . 4116 1 804 . 1 1 80 80 LYS HD3 H 1 1.47 . . 1 . . . . . . . . 4116 1 805 . 1 1 80 80 LYS CD C 13 26.88 . . 1 . . . . . . . . 4116 1 806 . 1 1 80 80 LYS HE2 H 1 3.17 . . 1 . . . . . . . . 4116 1 807 . 1 1 80 80 LYS HE3 H 1 2.87 . . 1 . . . . . . . . 4116 1 808 . 1 1 80 80 LYS CE C 13 40.47 . . 1 . . . . . . . . 4116 1 809 . 1 1 81 81 SER H H 1 8.73 . . 1 . . . . . . . . 4116 1 810 . 1 1 81 81 SER N N 15 118.40 . . 1 . . . . . . . . 4116 1 811 . 1 1 81 81 SER HB2 H 1 3.97 . . 1 . . . . . . . . 4116 1 812 . 1 1 81 81 SER CB C 13 61.99 . . 1 . . . . . . . . 4116 1 813 . 1 1 82 82 GLY H H 1 8.40 . . 1 . . . . . . . . 4116 1 814 . 1 1 82 82 GLY N N 15 119.90 . . 1 . . . . . . . . 4116 1 815 . 1 1 82 82 GLY HA2 H 1 4.27 . . 1 . . . . . . . . 4116 1 816 . 1 1 82 82 GLY HA3 H 1 3.58 . . 1 . . . . . . . . 4116 1 817 . 1 1 82 82 GLY CA C 13 41.13 . . 1 . . . . . . . . 4116 1 818 . 1 1 83 83 PHE H H 1 7.88 . . 1 . . . . . . . . 4116 1 819 . 1 1 83 83 PHE N N 15 116.80 . . 1 . . . . . . . . 4116 1 820 . 1 1 83 83 PHE HA H 1 4.69 . . 1 . . . . . . . . 4116 1 821 . 1 1 83 83 PHE CA C 13 56.58 . . 1 . . . . . . . . 4116 1 822 . 1 1 83 83 PHE HB2 H 1 3.70 . . 1 . . . . . . . . 4116 1 823 . 1 1 83 83 PHE HB3 H 1 2.69 . . 1 . . . . . . . . 4116 1 824 . 1 1 83 83 PHE CB C 13 37.84 . . 1 . . . . . . . . 4116 1 825 . 1 1 84 84 LYS H H 1 8.66 . . 1 . . . . . . . . 4116 1 826 . 1 1 84 84 LYS N N 15 124.60 . . 1 . . . . . . . . 4116 1 827 . 1 1 84 84 LYS HA H 1 4.25 . . 1 . . . . . . . . 4116 1 828 . 1 1 84 84 LYS CA C 13 55.19 . . 1 . . . . . . . . 4116 1 829 . 1 1 84 84 LYS HB2 H 1 1.49 . . 1 . . . . . . . . 4116 1 830 . 1 1 84 84 LYS CB C 13 30.66 . . 1 . . . . . . . . 4116 1 831 . 1 1 84 84 LYS HG2 H 1 1.49 . . 1 . . . . . . . . 4116 1 832 . 1 1 84 84 LYS CG C 13 22.43 . . 1 . . . . . . . . 4116 1 833 . 1 1 84 84 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 4116 1 834 . 1 1 84 84 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 4116 1 835 . 1 1 84 84 LYS CE C 13 40.27 . . 1 . . . . . . . . 4116 1 836 . 1 1 85 85 GLN H H 1 8.80 . . 1 . . . . . . . . 4116 1 837 . 1 1 85 85 GLN N N 15 126.20 . . 1 . . . . . . . . 4116 1 838 . 1 1 85 85 GLN HA H 1 4.36 . . 1 . . . . . . . . 4116 1 839 . 1 1 85 85 GLN CA C 13 54.33 . . 1 . . . . . . . . 4116 1 840 . 1 1 85 85 GLN HB2 H 1 2.11 . . 1 . . . . . . . . 4116 1 841 . 1 1 85 85 GLN HB3 H 1 2.22 . . 1 . . . . . . . . 4116 1 842 . 1 1 85 85 GLN HG2 H 1 2.53 . . 1 . . . . . . . . 4116 1 843 . 1 1 86 86 GLY H H 1 8.17 . . 1 . . . . . . . . 4116 1 844 . 1 1 86 86 GLY N N 15 117.50 . . 1 . . . . . . . . 4116 1 845 . 1 1 86 86 GLY HA2 H 1 3.87 . . 1 . . . . . . . . 4116 1 846 . 1 1 86 86 GLY HA3 H 1 3.87 . . 1 . . . . . . . . 4116 1 847 . 1 1 86 86 GLY CA C 13 44.06 . . 1 . . . . . . . . 4116 1 stop_ save_