data_4079 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4079 _Entry.Title ; Structure of the A-Domain of HMG1 and Its Interaction with DNA As Studied by Heteronuclear Three- and Four-Dimensional NMR Spectroscopy ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1997-12-07 _Entry.Accession_date 1997-12-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _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 Colin Hardman . H. . 4079 2 R. Broadhurst . William . 4079 3 Andrew Raine . R.C. . 4079 4 Klaus Grasser . D. . 4079 5 Jean Thomas . O. . 4079 6 Ernest Laue . D. . 4079 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4079 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 305 4079 '15N chemical shifts' 79 4079 '1H chemical shifts' 581 4079 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2001-02-17 . reformat BMRB 'Format updated to NMR-STAR version 2.1' 4079 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4079 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Hardman, C. H., Broadhurst, R. W., Raine, A. R.C., Grasser , K. D., Thomas, J. O.,and Laue, E. D., "Structure of the A-Domain of HMG1 and Its Interaction with DNA As Studied by Heteronuclear Three- and Four-Dimensional NMR Spectroscopy," Biochemistry 34, 16596-16607 (1995). ; _Citation.Title ; Structure of the A-Domain of HMG1 and Its Interaction with DNA As Studied by Heteronuclear Three- and Four-Dimensional NMR Spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 34 _Citation.Journal_issue 51 _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 16596 _Citation.Page_last 16607 _Citation.Year 1995 _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 Colin Hardman . H. . 4079 1 2 R. Broadhurst . William . 4079 1 3 Andrew Raine . R.C. . 4079 1 4 Klaus Grasser . D. . 4079 1 5 Jean Thomas . O. . 4079 1 6 Ernest Laue . D. . 4079 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'A-domain of HMG1' 4079 1 'high mobility group protein 1' 4079 1 HMG1 4079 1 NMR 4079 1 'nuclear magnetic resonance' 4079 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_A_domain_HMG1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_A_domain_HMG1 _Assembly.Entry_ID 4079 _Assembly.ID 1 _Assembly.Name 'A-domain HMG1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4079 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 'A-domain HMG1' 1 $A-domain_HMG1 . . . native . . . . . 4079 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'A-domain HMG1' abbreviation 4079 1 'A-domain HMG1' system 4079 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; A-domain of HMG1 (high mobility group, non-histone chromosomal protein) are DNA binding proteins involved in replication,transcription, and chromatin assembly ; 4079 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_A-domain_HMG1 _Entity.Sf_category entity _Entity.Sf_framecode A-domain_HMG1 _Entity.Entry_ID 4079 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'A-domain of HMG1' _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 ; GKGDPKKPRGKMSSYAFFVQ TSREEHKKKHPDASVNFSEF SKKCSERWKTMSAKEKGKFE DMAKADKARYEREMKTYIPP KGE ; _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 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The A-domain of HMG1 (as a CYS to SER mutant at position 22), without effect on its DNA-binding properties, has been studied using heteronuclear three- and four-dimensional NMR spectroscopy ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11147 . "HMG box domain" . . . . . 100.00 173 98.80 98.80 1.89e-49 . . . . 4079 1 2 no BMRB 11532 . entity . . . . . 100.00 87 98.80 98.80 2.01e-50 . . . . 4079 1 3 no BMRB 15148 . HMGB1_ABbtail . . . . . 100.00 187 98.80 98.80 1.44e-49 . . . . 4079 1 4 no BMRB 15149 . HMGB1_Full_Length . . . . . 100.00 214 98.80 98.80 1.69e-49 . . . . 4079 1 5 no BMRB 15502 . HMGB1 . . . . . 100.00 214 98.80 98.80 1.69e-49 . . . . 4079 1 6 no BMRB 18709 . entity_1 . . . . . 100.00 83 98.80 98.80 1.71e-50 . . . . 4079 1 7 no PDB 1AAB . "Nmr Structure Of Rat Hmg1 Hmga Fragment" . . . . . 100.00 83 100.00 100.00 2.69e-51 . . . . 4079 1 8 no PDB 1CKT . "Crystal Structure Of Hmg1 Domain A Bound To A Cisplatin-modified Dna Duplex" . . . . . 85.54 71 98.59 98.59 4.06e-41 . . . . 4079 1 9 no PDB 2LY4 . "Hmgb1-Facilitated P53 Dna Binding Occurs Via Hmg-BoxP53 Transactivation Domain Interaction And Is Regulated By The Acidic Tail" . . . . . 100.00 83 98.80 98.80 1.71e-50 . . . . 4079 1 10 no PDB 2RTU . "Solution Structure Of Oxidized Human Hmgb1 A Box" . . . . . 100.00 87 98.80 98.80 2.01e-50 . . . . 4079 1 11 no PDB 2YRQ . "Solution Structure Of The Tandem Hmg Box Domain From Human High Mobility Group Protein B1" . . . . . 100.00 173 98.80 98.80 1.89e-49 . . . . 4079 1 12 no PDB 4QR9 . "Crystal Structure Of Two Hmgb1 Box A Domains Cooperating To Underwind And Kink A Dna" . . . . . 89.16 76 98.65 98.65 6.67e-44 . . . . 4079 1 13 no DBJ BAA09924 . "HMG-1 [Homo sapiens]" . . . . . 100.00 215 97.59 97.59 3.95e-48 . . . . 4079 1 14 no DBJ BAC29902 . "unnamed protein product [Mus musculus]" . . . . . 100.00 215 98.80 98.80 1.59e-49 . . . . 4079 1 15 no DBJ BAC34367 . "unnamed protein product [Mus musculus]" . . . . . 100.00 178 98.80 98.80 1.78e-49 . . . . 4079 1 16 no DBJ BAC34773 . "unnamed protein product [Mus musculus]" . . . . . 100.00 215 98.80 98.80 1.43e-49 . . . . 4079 1 17 no DBJ BAC38678 . "unnamed protein product [Mus musculus]" . . . . . 100.00 181 98.80 98.80 1.73e-49 . . . . 4079 1 18 no EMBL CAA31110 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 215 98.80 98.80 1.59e-49 . . . . 4079 1 19 no EMBL CAA31284 . "unnamed protein product [Bos taurus]" . . . . . 100.00 215 98.80 98.80 1.81e-49 . . . . 4079 1 20 no EMBL CAA56631 . "high mobility group protein [Mus musculus]" . . . . . 100.00 215 98.80 98.80 1.81e-49 . . . . 4079 1 21 no EMBL CAA68441 . "high mobility group protein [Cricetulus griseus]" . . . . . 59.04 180 100.00 100.00 2.71e-24 . . . . 4079 1 22 no EMBL CAA68526 . "unnamed protein product [Rattus norvegicus]" . . . . . 100.00 215 98.80 98.80 1.59e-49 . . . . 4079 1 23 no GB AAA20508 . "HMG-1 [Mus musculus]" . . . . . 100.00 215 98.80 98.80 1.59e-49 . . . . 4079 1 24 no GB AAA31050 . "non-histone protein HMG1 [Sus scrofa]" . . . . . 100.00 215 98.80 98.80 2.25e-49 . . . . 4079 1 25 no GB AAA40729 . "Amphoterin [Rattus norvegicus]" . . . . . 100.00 215 98.80 98.80 1.59e-49 . . . . 4079 1 26 no GB AAA57042 . "high mobility group 1 protein [Mus musculus]" . . . . . 100.00 215 98.80 98.80 1.46e-49 . . . . 4079 1 27 no GB AAA64970 . "HMG-1 [Homo sapiens]" . . . . . 100.00 216 97.59 97.59 1.17e-48 . . . . 4079 1 28 no PIR S29857 . "nonhistone chromosomal protein HMG-1 - human" . . . . . 100.00 216 97.59 97.59 1.17e-48 . . . . 4079 1 29 no REF NP_001002937 . "high mobility group protein B1 [Canis lupus familiaris]" . . . . . 100.00 215 98.80 98.80 1.59e-49 . . . . 4079 1 30 no REF NP_001004034 . "high mobility group protein B1 [Sus scrofa]" . . . . . 100.00 215 98.80 98.80 2.25e-49 . . . . 4079 1 31 no REF NP_001075304 . "high mobility group protein B1 [Equus caballus]" . . . . . 100.00 215 98.80 98.80 1.59e-49 . . . . 4079 1 32 no REF NP_001102843 . "high mobility group box 1 like [Rattus norvegicus]" . . . . . 100.00 214 98.80 98.80 2.12e-49 . . . . 4079 1 33 no REF NP_001162380 . "high mobility group protein B1 [Papio anubis]" . . . . . 100.00 215 98.80 98.80 1.59e-49 . . . . 4079 1 34 no SP A9RA84 . "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" . . . . . 100.00 215 98.80 98.80 1.59e-49 . . . . 4079 1 35 no SP B0CM99 . "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" . . . . . 100.00 215 98.80 98.80 1.59e-49 . . . . 4079 1 36 no SP B1MTB0 . "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" . . . . . 100.00 215 98.80 98.80 1.59e-49 . . . . 4079 1 37 no SP P07156 . "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" . . . . . 59.04 180 100.00 100.00 2.71e-24 . . . . 4079 1 38 no SP P09429 . "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" . . . . . 100.00 215 98.80 98.80 1.59e-49 . . . . 4079 1 39 no TPG DAA23902 . "TPA: high mobility group protein B1 [Bos taurus]" . . . . . 100.00 215 98.80 98.80 1.81e-49 . . . . 4079 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'A-domain of HMG1' abbreviation 4079 1 'A-domain of HMG1' common 4079 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 . GLY . 4079 1 2 . LYS . 4079 1 3 . GLY . 4079 1 4 . ASP . 4079 1 5 . PRO . 4079 1 6 . LYS . 4079 1 7 . LYS . 4079 1 8 . PRO . 4079 1 9 . ARG . 4079 1 10 . GLY . 4079 1 11 . LYS . 4079 1 12 . MET . 4079 1 13 . SER . 4079 1 14 . SER . 4079 1 15 . TYR . 4079 1 16 . ALA . 4079 1 17 . PHE . 4079 1 18 . PHE . 4079 1 19 . VAL . 4079 1 20 . GLN . 4079 1 21 . THR . 4079 1 22 . SER . 4079 1 23 . ARG . 4079 1 24 . GLU . 4079 1 25 . GLU . 4079 1 26 . HIS . 4079 1 27 . LYS . 4079 1 28 . LYS . 4079 1 29 . LYS . 4079 1 30 . HIS . 4079 1 31 . PRO . 4079 1 32 . ASP . 4079 1 33 . ALA . 4079 1 34 . SER . 4079 1 35 . VAL . 4079 1 36 . ASN . 4079 1 37 . PHE . 4079 1 38 . SER . 4079 1 39 . GLU . 4079 1 40 . PHE . 4079 1 41 . SER . 4079 1 42 . LYS . 4079 1 43 . LYS . 4079 1 44 . CYS . 4079 1 45 . SER . 4079 1 46 . GLU . 4079 1 47 . ARG . 4079 1 48 . TRP . 4079 1 49 . LYS . 4079 1 50 . THR . 4079 1 51 . MET . 4079 1 52 . SER . 4079 1 53 . ALA . 4079 1 54 . LYS . 4079 1 55 . GLU . 4079 1 56 . LYS . 4079 1 57 . GLY . 4079 1 58 . LYS . 4079 1 59 . PHE . 4079 1 60 . GLU . 4079 1 61 . ASP . 4079 1 62 . MET . 4079 1 63 . ALA . 4079 1 64 . LYS . 4079 1 65 . ALA . 4079 1 66 . ASP . 4079 1 67 . LYS . 4079 1 68 . ALA . 4079 1 69 . ARG . 4079 1 70 . TYR . 4079 1 71 . GLU . 4079 1 72 . ARG . 4079 1 73 . GLU . 4079 1 74 . MET . 4079 1 75 . LYS . 4079 1 76 . THR . 4079 1 77 . TYR . 4079 1 78 . ILE . 4079 1 79 . PRO . 4079 1 80 . PRO . 4079 1 81 . LYS . 4079 1 82 . GLY . 4079 1 83 . GLU . 4079 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 . GLY 1 1 4079 1 . LYS 2 2 4079 1 . GLY 3 3 4079 1 . ASP 4 4 4079 1 . PRO 5 5 4079 1 . LYS 6 6 4079 1 . LYS 7 7 4079 1 . PRO 8 8 4079 1 . ARG 9 9 4079 1 . GLY 10 10 4079 1 . LYS 11 11 4079 1 . MET 12 12 4079 1 . SER 13 13 4079 1 . SER 14 14 4079 1 . TYR 15 15 4079 1 . ALA 16 16 4079 1 . PHE 17 17 4079 1 . PHE 18 18 4079 1 . VAL 19 19 4079 1 . GLN 20 20 4079 1 . THR 21 21 4079 1 . SER 22 22 4079 1 . ARG 23 23 4079 1 . GLU 24 24 4079 1 . GLU 25 25 4079 1 . HIS 26 26 4079 1 . LYS 27 27 4079 1 . LYS 28 28 4079 1 . LYS 29 29 4079 1 . HIS 30 30 4079 1 . PRO 31 31 4079 1 . ASP 32 32 4079 1 . ALA 33 33 4079 1 . SER 34 34 4079 1 . VAL 35 35 4079 1 . ASN 36 36 4079 1 . PHE 37 37 4079 1 . SER 38 38 4079 1 . GLU 39 39 4079 1 . PHE 40 40 4079 1 . SER 41 41 4079 1 . LYS 42 42 4079 1 . LYS 43 43 4079 1 . CYS 44 44 4079 1 . SER 45 45 4079 1 . GLU 46 46 4079 1 . ARG 47 47 4079 1 . TRP 48 48 4079 1 . LYS 49 49 4079 1 . THR 50 50 4079 1 . MET 51 51 4079 1 . SER 52 52 4079 1 . ALA 53 53 4079 1 . LYS 54 54 4079 1 . GLU 55 55 4079 1 . LYS 56 56 4079 1 . GLY 57 57 4079 1 . LYS 58 58 4079 1 . PHE 59 59 4079 1 . GLU 60 60 4079 1 . ASP 61 61 4079 1 . MET 62 62 4079 1 . ALA 63 63 4079 1 . LYS 64 64 4079 1 . ALA 65 65 4079 1 . ASP 66 66 4079 1 . LYS 67 67 4079 1 . ALA 68 68 4079 1 . ARG 69 69 4079 1 . TYR 70 70 4079 1 . GLU 71 71 4079 1 . ARG 72 72 4079 1 . GLU 73 73 4079 1 . MET 74 74 4079 1 . LYS 75 75 4079 1 . THR 76 76 4079 1 . TYR 77 77 4079 1 . ILE 78 78 4079 1 . PRO 79 79 4079 1 . PRO 80 80 4079 1 . LYS 81 81 4079 1 . GLY 82 82 4079 1 . GLU 83 83 4079 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 4079 _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 $A-domain_HMG1 . 10116 organism . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 4079 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 4079 _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 $A-domain_HMG1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . 'pT7-7-HMG1-A or pT7-7-HMG1-A(C22S)' . . . native . . 4079 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4079 _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 'A-domain of HMG1' . . . 1 $A-domain_HMG1 . . . 2 5 mM . . . . 4079 1 2 D2O . . . . . . . 10 . . % . . . . 4079 1 3 H2O . . . . . . . 90 . . % . . . . 4079 1 4 'sodium phosphate' . . . . . . . 10 . . mM . . . . 4079 1 5 NaCl . . . . . . . 0.15 . . M . . . . 4079 1 6 DTT . . . . . . . 50 . . uM . . . . 4079 1 7 NaN3 . . . . . . . .02 . . % . . . . 4079 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4079 _Sample.ID 2 _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 'A-domain of HMG1' [U-15N] . . 1 $A-domain_HMG1 . . . 2 5 mM . . . . 4079 2 2 D2O . . . . . . . 10 . . % . . . . 4079 2 3 H2O . . . . . . . 90 . . % . . . . 4079 2 4 'sodium phosphate' . . . . . . . 10 . . mM . . . . 4079 2 5 NaCl . . . . . . . 0.15 . . M . . . . 4079 2 6 DTT . . . . . . . 50 . . uM . . . . 4079 2 7 NaN3 . . . . . . . .02 . . % . . . . 4079 2 stop_ save_ save_sample_three _Sample.Sf_category sample _Sample.Sf_framecode sample_three _Sample.Entry_ID 4079 _Sample.ID 3 _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 'A-domain of HMG1' [U-13C] . . 1 $A-domain_HMG1 . . . 2 5 mM . . . . 4079 3 2 D2O . . . . . . . 10 . . % . . . . 4079 3 3 H2O . . . . . . . 90 . . % . . . . 4079 3 4 'sodium phosphate' . . . . . . . 10 . . mM . . . . 4079 3 5 NaCl . . . . . . . 0.15 . . M . . . . 4079 3 6 DTT . . . . . . . 50 . . uM . . . . 4079 3 7 NaN3 . . . . . . . .02 . . % . . . . 4079 3 stop_ save_ save_sample_four _Sample.Sf_category sample _Sample.Sf_framecode sample_four _Sample.Entry_ID 4079 _Sample.ID 4 _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 'A-domain of HMG1' [U-15N;U-13C] . . 1 $A-domain_HMG1 . . . 2 5 mM . . . . 4079 4 2 D2O . . . . . . . 10 . . % . . . . 4079 4 3 H2O . . . . . . . 90 . . % . . . . 4079 4 4 'sodium phosphate' . . . . . . . 10 . . mM . . . . 4079 4 5 NaCl . . . . . . . 0.15 . . M . . . . 4079 4 6 DTT . . . . . . . 50 . . uM . . . . 4079 4 7 NaN3 . . . . . . . .02 . . % . . . . 4079 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4079 _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 5.0 . n/a 4079 1 temperature 293 . K 4079 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 4079 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _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 4079 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_one Bruker AMX . 600 . . . 4079 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 4079 _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_conditions . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4079 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference _Chem_shift_reference.Entry_ID 4079 _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 4079 1 H 1 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 4079 1 N 15 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 4079 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment _Assigned_chem_shift_list.Entry_ID 4079 _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 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_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 . . 4 $sample_four . 4079 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 GLY HA2 H 1 3.74 . . 1 . . . . . . . . 4079 1 2 . 1 1 1 1 GLY HA3 H 1 3.74 . . 1 . . . . . . . . 4079 1 3 . 1 1 1 1 GLY CA C 13 42.75 . . 1 . . . . . . . . 4079 1 4 . 1 1 2 2 LYS H H 1 8.65 . . 1 . . . . . . . . 4079 1 5 . 1 1 2 2 LYS HA H 1 4.13 . . 1 . . . . . . . . 4079 1 6 . 1 1 2 2 LYS HB2 H 1 1.64 . . 1 . . . . . . . . 4079 1 7 . 1 1 2 2 LYS HB3 H 1 1.64 . . 1 . . . . . . . . 4079 1 8 . 1 1 2 2 LYS HG2 H 1 1.27 . . 1 . . . . . . . . 4079 1 9 . 1 1 2 2 LYS HG3 H 1 1.27 . . 1 . . . . . . . . 4079 1 10 . 1 1 2 2 LYS HD2 H 1 1.52 . . 1 . . . . . . . . 4079 1 11 . 1 1 2 2 LYS HD3 H 1 1.52 . . 1 . . . . . . . . 4079 1 12 . 1 1 2 2 LYS HE2 H 1 2.85 . . 1 . . . . . . . . 4079 1 13 . 1 1 2 2 LYS HE3 H 1 2.85 . . 1 . . . . . . . . 4079 1 14 . 1 1 2 2 LYS CA C 13 56.79 . . 1 . . . . . . . . 4079 1 15 . 1 1 2 2 LYS CB C 13 32.61 . . 1 . . . . . . . . 4079 1 16 . 1 1 2 2 LYS CG C 13 24.59 . . 1 . . . . . . . . 4079 1 17 . 1 1 2 2 LYS CD C 13 29.20 . . 1 . . . . . . . . 4079 1 18 . 1 1 2 2 LYS CE C 13 41.87 . . 1 . . . . . . . . 4079 1 19 . 1 1 2 2 LYS N N 15 119.91 . . 1 . . . . . . . . 4079 1 20 . 1 1 3 3 GLY H H 1 8.56 . . 1 . . . . . . . . 4079 1 21 . 1 1 3 3 GLY HA2 H 1 3.80 . . 1 . . . . . . . . 4079 1 22 . 1 1 3 3 GLY HA3 H 1 3.80 . . 1 . . . . . . . . 4079 1 23 . 1 1 3 3 GLY CA C 13 44.68 . . 1 . . . . . . . . 4079 1 24 . 1 1 3 3 GLY N N 15 109.23 . . 1 . . . . . . . . 4079 1 25 . 1 1 4 4 ASP H H 1 8.07 . . 1 . . . . . . . . 4079 1 26 . 1 1 4 4 ASP HA H 1 4.74 . . 1 . . . . . . . . 4079 1 27 . 1 1 4 4 ASP HB2 H 1 2.65 . . 2 . . . . . . . . 4079 1 28 . 1 1 4 4 ASP HB3 H 1 2.49 . . 2 . . . . . . . . 4079 1 29 . 1 1 4 4 ASP CA C 13 51.88 . . 1 . . . . . . . . 4079 1 30 . 1 1 4 4 ASP CB C 13 40.55 . . 1 . . . . . . . . 4079 1 31 . 1 1 4 4 ASP N N 15 119.94 . . 1 . . . . . . . . 4079 1 32 . 1 1 5 5 PRO HA H 1 4.32 . . 1 . . . . . . . . 4079 1 33 . 1 1 5 5 PRO HB2 H 1 2.20 . . 2 . . . . . . . . 4079 1 34 . 1 1 5 5 PRO HB3 H 1 1.85 . . 2 . . . . . . . . 4079 1 35 . 1 1 5 5 PRO HG2 H 1 1.90 . . 1 . . . . . . . . 4079 1 36 . 1 1 5 5 PRO HG3 H 1 1.90 . . 1 . . . . . . . . 4079 1 37 . 1 1 5 5 PRO HD2 H 1 3.78 . . 2 . . . . . . . . 4079 1 38 . 1 1 5 5 PRO HD3 H 1 3.70 . . 2 . . . . . . . . 4079 1 39 . 1 1 5 5 PRO CA C 13 63.19 . . 1 . . . . . . . . 4079 1 40 . 1 1 5 5 PRO CB C 13 31.92 . . 1 . . . . . . . . 4079 1 41 . 1 1 5 5 PRO CG C 13 27.09 . . 1 . . . . . . . . 4079 1 42 . 1 1 5 5 PRO CD C 13 50.61 . . 1 . . . . . . . . 4079 1 43 . 1 1 6 6 LYS H H 1 8.25 . . 1 . . . . . . . . 4079 1 44 . 1 1 6 6 LYS HA H 1 4.14 . . 1 . . . . . . . . 4079 1 45 . 1 1 6 6 LYS HB2 H 1 1.68 . . 1 . . . . . . . . 4079 1 46 . 1 1 6 6 LYS HB3 H 1 1.68 . . 1 . . . . . . . . 4079 1 47 . 1 1 6 6 LYS HG2 H 1 1.28 . . 1 . . . . . . . . 4079 1 48 . 1 1 6 6 LYS HG3 H 1 1.28 . . 1 . . . . . . . . 4079 1 49 . 1 1 6 6 LYS HD2 H 1 1.53 . . 1 . . . . . . . . 4079 1 50 . 1 1 6 6 LYS HD3 H 1 1.53 . . 1 . . . . . . . . 4079 1 51 . 1 1 6 6 LYS HE2 H 1 2.87 . . 1 . . . . . . . . 4079 1 52 . 1 1 6 6 LYS HE3 H 1 2.87 . . 1 . . . . . . . . 4079 1 53 . 1 1 6 6 LYS CA C 13 55.45 . . 1 . . . . . . . . 4079 1 54 . 1 1 6 6 LYS CB C 13 32.16 . . 1 . . . . . . . . 4079 1 55 . 1 1 6 6 LYS CG C 13 24.33 . . 1 . . . . . . . . 4079 1 56 . 1 1 6 6 LYS CD C 13 28.66 . . 1 . . . . . . . . 4079 1 57 . 1 1 6 6 LYS CE C 13 41.76 . . 1 . . . . . . . . 4079 1 58 . 1 1 6 6 LYS N N 15 118.77 . . 1 . . . . . . . . 4079 1 59 . 1 1 7 7 LYS H H 1 7.86 . . 1 . . . . . . . . 4079 1 60 . 1 1 7 7 LYS HA H 1 3.67 . . 1 . . . . . . . . 4079 1 61 . 1 1 7 7 LYS HB2 H 1 1.51 . . 2 . . . . . . . . 4079 1 62 . 1 1 7 7 LYS HB3 H 1 1.43 . . 2 . . . . . . . . 4079 1 63 . 1 1 7 7 LYS HG2 H 1 1.18 . . 2 . . . . . . . . 4079 1 64 . 1 1 7 7 LYS HG3 H 1 0.90 . . 2 . . . . . . . . 4079 1 65 . 1 1 7 7 LYS HD2 H 1 1.50 . . 1 . . . . . . . . 4079 1 66 . 1 1 7 7 LYS HD3 H 1 1.50 . . 1 . . . . . . . . 4079 1 67 . 1 1 7 7 LYS HE2 H 1 2.84 . . 1 . . . . . . . . 4079 1 68 . 1 1 7 7 LYS HE3 H 1 2.84 . . 1 . . . . . . . . 4079 1 69 . 1 1 7 7 LYS CA C 13 54.24 . . 1 . . . . . . . . 4079 1 70 . 1 1 7 7 LYS CB C 13 32.58 . . 1 . . . . . . . . 4079 1 71 . 1 1 7 7 LYS CG C 13 24.10 . . 1 . . . . . . . . 4079 1 72 . 1 1 7 7 LYS CD C 13 29.06 . . 1 . . . . . . . . 4079 1 73 . 1 1 7 7 LYS CE C 13 41.70 . . 1 . . . . . . . . 4079 1 74 . 1 1 7 7 LYS N N 15 122.22 . . 1 . . . . . . . . 4079 1 75 . 1 1 8 8 PRO HA H 1 4.07 . . 1 . . . . . . . . 4079 1 76 . 1 1 8 8 PRO HB2 H 1 2.23 . . 2 . . . . . . . . 4079 1 77 . 1 1 8 8 PRO HB3 H 1 1.35 . . 2 . . . . . . . . 4079 1 78 . 1 1 8 8 PRO HG2 H 1 1.38 . . 1 . . . . . . . . 4079 1 79 . 1 1 8 8 PRO HG3 H 1 1.38 . . 1 . . . . . . . . 4079 1 80 . 1 1 8 8 PRO HD2 H 1 3.16 . . 2 . . . . . . . . 4079 1 81 . 1 1 8 8 PRO HD3 H 1 2.77 . . 2 . . . . . . . . 4079 1 82 . 1 1 8 8 PRO CA C 13 62.59 . . 1 . . . . . . . . 4079 1 83 . 1 1 8 8 PRO CB C 13 31.50 . . 1 . . . . . . . . 4079 1 84 . 1 1 8 8 PRO CG C 13 27.96 . . 1 . . . . . . . . 4079 1 85 . 1 1 8 8 PRO CD C 13 50.62 . . 1 . . . . . . . . 4079 1 86 . 1 1 9 9 ARG H H 1 8.86 . . 1 . . . . . . . . 4079 1 87 . 1 1 9 9 ARG HA H 1 4.01 . . 1 . . . . . . . . 4079 1 88 . 1 1 9 9 ARG HB2 H 1 1.65 . . 1 . . . . . . . . 4079 1 89 . 1 1 9 9 ARG HB3 H 1 1.65 . . 1 . . . . . . . . 4079 1 90 . 1 1 9 9 ARG HG2 H 1 1.76 . . 2 . . . . . . . . 4079 1 91 . 1 1 9 9 ARG HG3 H 1 1.54 . . 2 . . . . . . . . 4079 1 92 . 1 1 9 9 ARG HD2 H 1 3.12 . . 2 . . . . . . . . 4079 1 93 . 1 1 9 9 ARG HD3 H 1 3.05 . . 2 . . . . . . . . 4079 1 94 . 1 1 9 9 ARG CA C 13 56.23 . . 1 . . . . . . . . 4079 1 95 . 1 1 9 9 ARG CB C 13 30.04 . . 1 . . . . . . . . 4079 1 96 . 1 1 9 9 ARG CG C 13 26.73 . . 1 . . . . . . . . 4079 1 97 . 1 1 9 9 ARG CD C 13 42.99 . . 1 . . . . . . . . 4079 1 98 . 1 1 9 9 ARG N N 15 122.99 . . 1 . . . . . . . . 4079 1 99 . 1 1 10 10 GLY H H 1 8.54 . . 1 . . . . . . . . 4079 1 100 . 1 1 10 10 GLY HA2 H 1 3.76 . . 2 . . . . . . . . 4079 1 101 . 1 1 10 10 GLY HA3 H 1 3.54 . . 2 . . . . . . . . 4079 1 102 . 1 1 10 10 GLY CA C 13 44.91 . . 1 . . . . . . . . 4079 1 103 . 1 1 10 10 GLY N N 15 109.32 . . 1 . . . . . . . . 4079 1 104 . 1 1 11 11 LYS H H 1 7.59 . . 1 . . . . . . . . 4079 1 105 . 1 1 11 11 LYS HA H 1 3.92 . . 1 . . . . . . . . 4079 1 106 . 1 1 11 11 LYS HB2 H 1 1.39 . . 1 . . . . . . . . 4079 1 107 . 1 1 11 11 LYS HB3 H 1 1.39 . . 1 . . . . . . . . 4079 1 108 . 1 1 11 11 LYS HG2 H 1 1.04 . . 2 . . . . . . . . 4079 1 109 . 1 1 11 11 LYS HG3 H 1 0.69 . . 2 . . . . . . . . 4079 1 110 . 1 1 11 11 LYS HD2 H 1 1.45 . . 2 . . . . . . . . 4079 1 111 . 1 1 11 11 LYS HD3 H 1 1.36 . . 2 . . . . . . . . 4079 1 112 . 1 1 11 11 LYS HE2 H 1 2.64 . . 2 . . . . . . . . 4079 1 113 . 1 1 11 11 LYS HE3 H 1 2.40 . . 2 . . . . . . . . 4079 1 114 . 1 1 11 11 LYS CA C 13 56.19 . . 1 . . . . . . . . 4079 1 115 . 1 1 11 11 LYS CB C 13 31.69 . . 1 . . . . . . . . 4079 1 116 . 1 1 11 11 LYS CG C 13 24.12 . . 1 . . . . . . . . 4079 1 117 . 1 1 11 11 LYS CD C 13 28.86 . . 1 . . . . . . . . 4079 1 118 . 1 1 11 11 LYS CE C 13 41.08 . . 1 . . . . . . . . 4079 1 119 . 1 1 11 11 LYS N N 15 118.71 . . 1 . . . . . . . . 4079 1 120 . 1 1 12 12 MET H H 1 8.94 . . 1 . . . . . . . . 4079 1 121 . 1 1 12 12 MET HA H 1 4.26 . . 1 . . . . . . . . 4079 1 122 . 1 1 12 12 MET HB2 H 1 1.42 . . 2 . . . . . . . . 4079 1 123 . 1 1 12 12 MET HB3 H 1 1.28 . . 2 . . . . . . . . 4079 1 124 . 1 1 12 12 MET HG2 H 1 2.03 . . 2 . . . . . . . . 4079 1 125 . 1 1 12 12 MET HG3 H 1 1.97 . . 2 . . . . . . . . 4079 1 126 . 1 1 12 12 MET HE1 H 1 1.10 . . 1 . . . . . . . . 4079 1 127 . 1 1 12 12 MET HE2 H 1 1.10 . . 1 . . . . . . . . 4079 1 128 . 1 1 12 12 MET HE3 H 1 1.10 . . 1 . . . . . . . . 4079 1 129 . 1 1 12 12 MET CA C 13 54.63 . . 1 . . . . . . . . 4079 1 130 . 1 1 12 12 MET CB C 13 34.76 . . 1 . . . . . . . . 4079 1 131 . 1 1 12 12 MET CG C 13 31.68 . . 1 . . . . . . . . 4079 1 132 . 1 1 12 12 MET CE C 13 15.04 . . 1 . . . . . . . . 4079 1 133 . 1 1 12 12 MET N N 15 123.37 . . 1 . . . . . . . . 4079 1 134 . 1 1 13 13 SER H H 1 8.12 . . 1 . . . . . . . . 4079 1 135 . 1 1 13 13 SER HA H 1 4.49 . . 1 . . . . . . . . 4079 1 136 . 1 1 13 13 SER HB2 H 1 4.38 . . 2 . . . . . . . . 4079 1 137 . 1 1 13 13 SER HB3 H 1 3.93 . . 2 . . . . . . . . 4079 1 138 . 1 1 13 13 SER CA C 13 56.80 . . 1 . . . . . . . . 4079 1 139 . 1 1 13 13 SER CB C 13 65.41 . . 1 . . . . . . . . 4079 1 140 . 1 1 13 13 SER N N 15 117.58 . . 1 . . . . . . . . 4079 1 141 . 1 1 14 14 SER H H 1 9.22 . . 1 . . . . . . . . 4079 1 142 . 1 1 14 14 SER HA H 1 4.22 . . 1 . . . . . . . . 4079 1 143 . 1 1 14 14 SER HB2 H 1 4.00 . . 2 . . . . . . . . 4079 1 144 . 1 1 14 14 SER HB3 H 1 3.973 . . 2 . . . . . . . . 4079 1 145 . 1 1 14 14 SER CA C 13 61.08 . . 1 . . . . . . . . 4079 1 146 . 1 1 14 14 SER CB C 13 62.08 . . 1 . . . . . . . . 4079 1 147 . 1 1 14 14 SER N N 15 114.89 . . 1 . . . . . . . . 4079 1 148 . 1 1 15 15 TYR H H 1 7.91 . . 1 . . . . . . . . 4079 1 149 . 1 1 15 15 TYR HA H 1 2.63 . . 1 . . . . . . . . 4079 1 150 . 1 1 15 15 TYR HB2 H 1 2.22 . . 2 . . . . . . . . 4079 1 151 . 1 1 15 15 TYR HB3 H 1 2.192 . . 2 . . . . . . . . 4079 1 152 . 1 1 15 15 TYR HD1 H 1 5.74 . . 1 . . . . . . . . 4079 1 153 . 1 1 15 15 TYR HD2 H 1 5.74 . . 1 . . . . . . . . 4079 1 154 . 1 1 15 15 TYR HE1 H 1 6.26 . . 1 . . . . . . . . 4079 1 155 . 1 1 15 15 TYR HE2 H 1 6.26 . . 1 . . . . . . . . 4079 1 156 . 1 1 15 15 TYR CA C 13 60.24 . . 1 . . . . . . . . 4079 1 157 . 1 1 15 15 TYR CB C 13 37.63 . . 1 . . . . . . . . 4079 1 158 . 1 1 15 15 TYR CD1 C 13 132.1 . . 1 . . . . . . . . 4079 1 159 . 1 1 15 15 TYR CD2 C 13 132.1 . . 1 . . . . . . . . 4079 1 160 . 1 1 15 15 TYR CE1 C 13 117.06 . . 1 . . . . . . . . 4079 1 161 . 1 1 15 15 TYR CE2 C 13 117.06 . . 1 . . . . . . . . 4079 1 162 . 1 1 15 15 TYR N N 15 120.66 . . 1 . . . . . . . . 4079 1 163 . 1 1 16 16 ALA H H 1 7.82 . . 1 . . . . . . . . 4079 1 164 . 1 1 16 16 ALA HA H 1 3.55 . . 1 . . . . . . . . 4079 1 165 . 1 1 16 16 ALA HB1 H 1 1.24 . . 1 . . . . . . . . 4079 1 166 . 1 1 16 16 ALA HB2 H 1 1.24 . . 1 . . . . . . . . 4079 1 167 . 1 1 16 16 ALA HB3 H 1 1.24 . . 1 . . . . . . . . 4079 1 168 . 1 1 16 16 ALA CA C 13 54.85 . . 1 . . . . . . . . 4079 1 169 . 1 1 16 16 ALA CB C 13 17.63 . . 1 . . . . . . . . 4079 1 170 . 1 1 16 16 ALA N N 15 120.38 . . 1 . . . . . . . . 4079 1 171 . 1 1 17 17 PHE H H 1 8.28 . . 1 . . . . . . . . 4079 1 172 . 1 1 17 17 PHE HA H 1 4.06 . . 1 . . . . . . . . 4079 1 173 . 1 1 17 17 PHE HB2 H 1 3.52 . . 2 . . . . . . . . 4079 1 174 . 1 1 17 17 PHE HB3 H 1 3.26 . . 2 . . . . . . . . 4079 1 175 . 1 1 17 17 PHE HD1 H 1 7.18 . . 1 . . . . . . . . 4079 1 176 . 1 1 17 17 PHE HD2 H 1 7.18 . . 1 . . . . . . . . 4079 1 177 . 1 1 17 17 PHE HE1 H 1 7.21 . . 1 . . . . . . . . 4079 1 178 . 1 1 17 17 PHE HE2 H 1 7.21 . . 1 . . . . . . . . 4079 1 179 . 1 1 17 17 PHE HZ H 1 7.21 . . 1 . . . . . . . . 4079 1 180 . 1 1 17 17 PHE CA C 13 63.40 . . 1 . . . . . . . . 4079 1 181 . 1 1 17 17 PHE CB C 13 39.44 . . 1 . . . . . . . . 4079 1 182 . 1 1 17 17 PHE CD1 C 13 131.68 . . 1 . . . . . . . . 4079 1 183 . 1 1 17 17 PHE CD2 C 13 131.68 . . 1 . . . . . . . . 4079 1 184 . 1 1 17 17 PHE CE1 C 13 131.29 . . 1 . . . . . . . . 4079 1 185 . 1 1 17 17 PHE CE2 C 13 131.29 . . 1 . . . . . . . . 4079 1 186 . 1 1 17 17 PHE CZ C 13 129.29 . . 1 . . . . . . . . 4079 1 187 . 1 1 17 17 PHE N N 15 116.56 . . 1 . . . . . . . . 4079 1 188 . 1 1 18 18 PHE H H 1 8.06 . . 1 . . . . . . . . 4079 1 189 . 1 1 18 18 PHE HA H 1 3.52 . . 1 . . . . . . . . 4079 1 190 . 1 1 18 18 PHE HB2 H 1 2.41 . . 2 . . . . . . . . 4079 1 191 . 1 1 18 18 PHE HB3 H 1 1.95 . . 2 . . . . . . . . 4079 1 192 . 1 1 18 18 PHE HD1 H 1 6.33 . . 1 . . . . . . . . 4079 1 193 . 1 1 18 18 PHE HD2 H 1 6.33 . . 1 . . . . . . . . 4079 1 194 . 1 1 18 18 PHE HE1 H 1 7.32 . . 1 . . . . . . . . 4079 1 195 . 1 1 18 18 PHE HE2 H 1 7.32 . . 1 . . . . . . . . 4079 1 196 . 1 1 18 18 PHE HZ H 1 7.04 . . 1 . . . . . . . . 4079 1 197 . 1 1 18 18 PHE CA C 13 60.43 . . 1 . . . . . . . . 4079 1 198 . 1 1 18 18 PHE CB C 13 38.03 . . 1 . . . . . . . . 4079 1 199 . 1 1 18 18 PHE CD1 C 13 131.68 . . 1 . . . . . . . . 4079 1 200 . 1 1 18 18 PHE CD2 C 13 131.68 . . 1 . . . . . . . . 4079 1 201 . 1 1 18 18 PHE CE1 C 13 130.64 . . 1 . . . . . . . . 4079 1 202 . 1 1 18 18 PHE CE2 C 13 130.64 . . 1 . . . . . . . . 4079 1 203 . 1 1 18 18 PHE CZ C 13 129.81 . . 1 . . . . . . . . 4079 1 204 . 1 1 18 18 PHE N N 15 124.45 . . 1 . . . . . . . . 4079 1 205 . 1 1 19 19 VAL H H 1 8.31 . . 1 . . . . . . . . 4079 1 206 . 1 1 19 19 VAL HA H 1 2.89 . . 1 . . . . . . . . 4079 1 207 . 1 1 19 19 VAL HB H 1 1.55 . . 1 . . . . . . . . 4079 1 208 . 1 1 19 19 VAL HG11 H 1 0.70 . . 2 . . . . . . . . 4079 1 209 . 1 1 19 19 VAL HG12 H 1 0.70 . . 2 . . . . . . . . 4079 1 210 . 1 1 19 19 VAL HG13 H 1 0.70 . . 2 . . . . . . . . 4079 1 211 . 1 1 19 19 VAL HG21 H 1 0.08 . . 2 . . . . . . . . 4079 1 212 . 1 1 19 19 VAL HG22 H 1 0.08 . . 2 . . . . . . . . 4079 1 213 . 1 1 19 19 VAL HG23 H 1 0.08 . . 2 . . . . . . . . 4079 1 214 . 1 1 19 19 VAL CA C 13 66.76 . . 1 . . . . . . . . 4079 1 215 . 1 1 19 19 VAL CB C 13 31.11 . . 1 . . . . . . . . 4079 1 216 . 1 1 19 19 VAL CG1 C 13 20.85 . . 2 . . . . . . . . 4079 1 217 . 1 1 19 19 VAL CG2 C 13 22.36 . . 2 . . . . . . . . 4079 1 218 . 1 1 19 19 VAL N N 15 123.29 . . 1 . . . . . . . . 4079 1 219 . 1 1 20 20 GLN H H 1 7.91 . . 1 . . . . . . . . 4079 1 220 . 1 1 20 20 GLN HA H 1 3.78 . . 1 . . . . . . . . 4079 1 221 . 1 1 20 20 GLN HB2 H 1 1.99 . . 2 . . . . . . . . 4079 1 222 . 1 1 20 20 GLN HB3 H 1 1.92 . . 2 . . . . . . . . 4079 1 223 . 1 1 20 20 GLN HG2 H 1 2.15 . . 1 . . . . . . . . 4079 1 224 . 1 1 20 20 GLN HG3 H 1 2.15 . . 1 . . . . . . . . 4079 1 225 . 1 1 20 20 GLN HE21 H 1 7.71 . . 2 . . . . . . . . 4079 1 226 . 1 1 20 20 GLN HE22 H 1 6.69 . . 2 . . . . . . . . 4079 1 227 . 1 1 20 20 GLN CA C 13 59.27 . . 1 . . . . . . . . 4079 1 228 . 1 1 20 20 GLN CB C 13 29.16 . . 1 . . . . . . . . 4079 1 229 . 1 1 20 20 GLN CG C 13 33.44 . . 1 . . . . . . . . 4079 1 230 . 1 1 20 20 GLN N N 15 117.24 . . 1 . . . . . . . . 4079 1 231 . 1 1 20 20 GLN NE2 N 15 110.26 . . 1 . . . . . . . . 4079 1 232 . 1 1 21 21 THR H H 1 8.50 . . 1 . . . . . . . . 4079 1 233 . 1 1 21 21 THR HA H 1 3.98 . . 1 . . . . . . . . 4079 1 234 . 1 1 21 21 THR HB H 1 4.24 . . 1 . . . . . . . . 4079 1 235 . 1 1 21 21 THR HG21 H 1 1.39 . . 1 . . . . . . . . 4079 1 236 . 1 1 21 21 THR HG22 H 1 1.39 . . 1 . . . . . . . . 4079 1 237 . 1 1 21 21 THR HG23 H 1 1.39 . . 1 . . . . . . . . 4079 1 238 . 1 1 21 21 THR CA C 13 66.39 . . 1 . . . . . . . . 4079 1 239 . 1 1 21 21 THR CB C 13 69.00 . . 1 . . . . . . . . 4079 1 240 . 1 1 21 21 THR CG2 C 13 21.14 . . 1 . . . . . . . . 4079 1 241 . 1 1 21 21 THR N N 15 113.41 . . 1 . . . . . . . . 4079 1 242 . 1 1 22 22 SER H H 1 8.17 . . 1 . . . . . . . . 4079 1 243 . 1 1 22 22 SER HA H 1 4.13 . . 1 . . . . . . . . 4079 1 244 . 1 1 22 22 SER HB2 H 1 3.75 . . 2 . . . . . . . . 4079 1 245 . 1 1 22 22 SER HB3 H 1 3.50 . . 2 . . . . . . . . 4079 1 246 . 1 1 22 22 SER CA C 13 62.19 . . 1 . . . . . . . . 4079 1 247 . 1 1 22 22 SER CB C 13 61.89 . . 1 . . . . . . . . 4079 1 248 . 1 1 22 22 SER N N 15 117.32 . . 1 . . . . . . . . 4079 1 249 . 1 1 23 23 ARG H H 1 8.74 . . 1 . . . . . . . . 4079 1 250 . 1 1 23 23 ARG HA H 1 3.48 . . 1 . . . . . . . . 4079 1 251 . 1 1 23 23 ARG HB2 H 1 1.79 . . 2 . . . . . . . . 4079 1 252 . 1 1 23 23 ARG HB3 H 1 1.68 . . 2 . . . . . . . . 4079 1 253 . 1 1 23 23 ARG HG2 H 1 1.24 . . 1 . . . . . . . . 4079 1 254 . 1 1 23 23 ARG HG3 H 1 1.24 . . 1 . . . . . . . . 4079 1 255 . 1 1 23 23 ARG HD2 H 1 2.77 . . 1 . . . . . . . . 4079 1 256 . 1 1 23 23 ARG HD3 H 1 2.77 . . 1 . . . . . . . . 4079 1 257 . 1 1 23 23 ARG CA C 13 59.43 . . 1 . . . . . . . . 4079 1 258 . 1 1 23 23 ARG CB C 13 29.74 . . 1 . . . . . . . . 4079 1 259 . 1 1 23 23 ARG CG C 13 27.26 . . 1 . . . . . . . . 4079 1 260 . 1 1 23 23 ARG CD C 13 42.97 . . 1 . . . . . . . . 4079 1 261 . 1 1 23 23 ARG N N 15 123.53 . . 1 . . . . . . . . 4079 1 262 . 1 1 24 24 GLU H H 1 7.96 . . 1 . . . . . . . . 4079 1 263 . 1 1 24 24 GLU HA H 1 3.87 . . 1 . . . . . . . . 4079 1 264 . 1 1 24 24 GLU HB2 H 1 1.95 . . 2 . . . . . . . . 4079 1 265 . 1 1 24 24 GLU HB3 H 1 1.78 . . 2 . . . . . . . . 4079 1 266 . 1 1 24 24 GLU HG2 H 1 2.34 . . 1 . . . . . . . . 4079 1 267 . 1 1 24 24 GLU HG3 H 1 2.21 . . 2 . . . . . . . . 4079 1 268 . 1 1 24 24 GLU CA C 13 58.91 . . 1 . . . . . . . . 4079 1 269 . 1 1 24 24 GLU CB C 13 29.36 . . 1 . . . . . . . . 4079 1 270 . 1 1 24 24 GLU CG C 13 35.45 . . 1 . . . . . . . . 4079 1 271 . 1 1 24 24 GLU N N 15 118.63 . . 1 . . . . . . . . 4079 1 272 . 1 1 25 25 GLU H H 1 8.28 . . 1 . . . . . . . . 4079 1 273 . 1 1 25 25 GLU HA H 1 3.92 . . 1 . . . . . . . . 4079 1 274 . 1 1 25 25 GLU HB2 H 1 2.09 . . 2 . . . . . . . . 4079 1 275 . 1 1 25 25 GLU HB3 H 1 1.98 . . 2 . . . . . . . . 4079 1 276 . 1 1 25 25 GLU HG2 H 1 2.35 . . 1 . . . . . . . . 4079 1 277 . 1 1 25 25 GLU HG3 H 1 2.19 . . 2 . . . . . . . . 4079 1 278 . 1 1 25 25 GLU CA C 13 58.90 . . 1 . . . . . . . . 4079 1 279 . 1 1 25 25 GLU CB C 13 29.13 . . 1 . . . . . . . . 4079 1 280 . 1 1 25 25 GLU CG C 13 35.81 . . 1 . . . . . . . . 4079 1 281 . 1 1 25 25 GLU N N 15 118.33 . . 1 . . . . . . . . 4079 1 282 . 1 1 26 26 HIS H H 1 8.10 . . 1 . . . . . . . . 4079 1 283 . 1 1 26 26 HIS HA H 1 4.18 . . 1 . . . . . . . . 4079 1 284 . 1 1 26 26 HIS HB2 H 1 3.19 . . 2 . . . . . . . . 4079 1 285 . 1 1 26 26 HIS HB3 H 1 3.02 . . 2 . . . . . . . . 4079 1 286 . 1 1 26 26 HIS HD2 H 1 7.10 . . 1 . . . . . . . . 4079 1 287 . 1 1 26 26 HIS HE1 H 1 8.11 . . 1 . . . . . . . . 4079 1 288 . 1 1 26 26 HIS CA C 13 59.65 . . 1 . . . . . . . . 4079 1 289 . 1 1 26 26 HIS CB C 13 28.87 . . 1 . . . . . . . . 4079 1 290 . 1 1 26 26 HIS CD2 C 13 119.83 . . 1 . . . . . . . . 4079 1 291 . 1 1 26 26 HIS CE1 C 13 136.56 . . 1 . . . . . . . . 4079 1 292 . 1 1 26 26 HIS N N 15 117.41 . . 1 . . . . . . . . 4079 1 293 . 1 1 27 27 LYS H H 1 7.87 . . 1 . . . . . . . . 4079 1 294 . 1 1 27 27 LYS HA H 1 3.84 . . 1 . . . . . . . . 4079 1 295 . 1 1 27 27 LYS HB2 H 1 1.73 . . 1 . . . . . . . . 4079 1 296 . 1 1 27 27 LYS HB3 H 1 1.73 . . 1 . . . . . . . . 4079 1 297 . 1 1 27 27 LYS HG2 H 1 1.37 . . 2 . . . . . . . . 4079 1 298 . 1 1 27 27 LYS HG3 H 1 1.27 . . 2 . . . . . . . . 4079 1 299 . 1 1 27 27 LYS HD2 H 1 1.54 . . 1 . . . . . . . . 4079 1 300 . 1 1 27 27 LYS HD3 H 1 1.54 . . 1 . . . . . . . . 4079 1 301 . 1 1 27 27 LYS HE2 H 1 2.80 . . 1 . . . . . . . . 4079 1 302 . 1 1 27 27 LYS HE3 H 1 2.80 . . 1 . . . . . . . . 4079 1 303 . 1 1 27 27 LYS CA C 13 58.00 . . 1 . . . . . . . . 4079 1 304 . 1 1 27 27 LYS CB C 13 31.82 . . 1 . . . . . . . . 4079 1 305 . 1 1 27 27 LYS CG C 13 24.64 . . 1 . . . . . . . . 4079 1 306 . 1 1 27 27 LYS CD C 13 28.94 . . 1 . . . . . . . . 4079 1 307 . 1 1 27 27 LYS CE C 13 41.75 . . 1 . . . . . . . . 4079 1 308 . 1 1 27 27 LYS N N 15 117.36 . . 1 . . . . . . . . 4079 1 309 . 1 1 28 28 LYS H H 1 7.52 . . 1 . . . . . . . . 4079 1 310 . 1 1 28 28 LYS HA H 1 3.84 . . 1 . . . . . . . . 4079 1 311 . 1 1 28 28 LYS HB2 H 1 1.71 . . 1 . . . . . . . . 4079 1 312 . 1 1 28 28 LYS HB3 H 1 1.71 . . 1 . . . . . . . . 4079 1 313 . 1 1 28 28 LYS HG2 H 1 1.31 . . 1 . . . . . . . . 4079 1 314 . 1 1 28 28 LYS HG3 H 1 1.31 . . 1 . . . . . . . . 4079 1 315 . 1 1 28 28 LYS HD2 H 1 1.52 . . 1 . . . . . . . . 4079 1 316 . 1 1 28 28 LYS HD3 H 1 1.52 . . 1 . . . . . . . . 4079 1 317 . 1 1 28 28 LYS HE2 H 1 2.81 . . 1 . . . . . . . . 4079 1 318 . 1 1 28 28 LYS HE3 H 1 2.81 . . 1 . . . . . . . . 4079 1 319 . 1 1 28 28 LYS CA C 13 58.21 . . 1 . . . . . . . . 4079 1 320 . 1 1 28 28 LYS CB C 13 32.07 . . 1 . . . . . . . . 4079 1 321 . 1 1 28 28 LYS CG C 13 25.00 . . 1 . . . . . . . . 4079 1 322 . 1 1 28 28 LYS CD C 13 29.03 . . 1 . . . . . . . . 4079 1 323 . 1 1 28 28 LYS CE C 13 41.84 . . 1 . . . . . . . . 4079 1 324 . 1 1 28 28 LYS N N 15 115.56 . . 1 . . . . . . . . 4079 1 325 . 1 1 29 29 LYS H H 1 7.45 . . 1 . . . . . . . . 4079 1 326 . 1 1 29 29 LYS HA H 1 3.86 . . 1 . . . . . . . . 4079 1 327 . 1 1 29 29 LYS HB2 H 1 1.42 . . 2 . . . . . . . . 4079 1 328 . 1 1 29 29 LYS HB3 H 1 1.20 . . 2 . . . . . . . . 4079 1 329 . 1 1 29 29 LYS HG2 H 1 1.25 . . 2 . . . . . . . . 4079 1 330 . 1 1 29 29 LYS HG3 H 1 1.08 . . 2 . . . . . . . . 4079 1 331 . 1 1 29 29 LYS HD2 H 1 1.47 . . 1 . . . . . . . . 4079 1 332 . 1 1 29 29 LYS HD3 H 1 1.47 . . 1 . . . . . . . . 4079 1 333 . 1 1 29 29 LYS HE2 H 1 2.80 . . 1 . . . . . . . . 4079 1 334 . 1 1 29 29 LYS HE3 H 1 2.80 . . 1 . . . . . . . . 4079 1 335 . 1 1 29 29 LYS CA C 13 56.84 . . 1 . . . . . . . . 4079 1 336 . 1 1 29 29 LYS CB C 13 33.30 . . 1 . . . . . . . . 4079 1 337 . 1 1 29 29 LYS CG C 13 25.10 . . 1 . . . . . . . . 4079 1 338 . 1 1 29 29 LYS CD C 13 28.74 . . 1 . . . . . . . . 4079 1 339 . 1 1 29 29 LYS CE C 13 41.75 . . 1 . . . . . . . . 4079 1 340 . 1 1 29 29 LYS N N 15 114.38 . . 1 . . . . . . . . 4079 1 341 . 1 1 30 30 HIS H H 1 7.81 . . 1 . . . . . . . . 4079 1 342 . 1 1 30 30 HIS HA H 1 4.88 . . 1 . . . . . . . . 4079 1 343 . 1 1 30 30 HIS HB2 H 1 2.82 . . 2 . . . . . . . . 4079 1 344 . 1 1 30 30 HIS HB3 H 1 2.55 . . 2 . . . . . . . . 4079 1 345 . 1 1 30 30 HIS HD2 H 1 6.71 . . 1 . . . . . . . . 4079 1 346 . 1 1 30 30 HIS HE1 H 1 8.50 . . 1 . . . . . . . . 4079 1 347 . 1 1 30 30 HIS CA C 13 51.96 . . 1 . . . . . . . . 4079 1 348 . 1 1 30 30 HIS CB C 13 28.20 . . 1 . . . . . . . . 4079 1 349 . 1 1 30 30 HIS CD2 C 13 120.04 . . 1 . . . . . . . . 4079 1 350 . 1 1 30 30 HIS CE1 C 13 136.01 . . 1 . . . . . . . . 4079 1 351 . 1 1 30 30 HIS N N 15 113.68 . . 1 . . . . . . . . 4079 1 352 . 1 1 31 31 PRO HA H 1 4.36 . . 1 . . . . . . . . 4079 1 353 . 1 1 31 31 PRO HB2 H 1 2.20 . . 2 . . . . . . . . 4079 1 354 . 1 1 31 31 PRO HB3 H 1 1.79 . . 2 . . . . . . . . 4079 1 355 . 1 1 31 31 PRO HG2 H 1 1.80 . . 1 . . . . . . . . 4079 1 356 . 1 1 31 31 PRO HG3 H 1 1.80 . . 1 . . . . . . . . 4079 1 357 . 1 1 31 31 PRO HD2 H 1 3.42 . . 2 . . . . . . . . 4079 1 358 . 1 1 31 31 PRO HD3 H 1 3.17 . . 2 . . . . . . . . 4079 1 359 . 1 1 31 31 PRO CA C 13 64.69 . . 1 . . . . . . . . 4079 1 360 . 1 1 31 31 PRO CB C 13 31.59 . . 1 . . . . . . . . 4079 1 361 . 1 1 31 31 PRO CG C 13 26.90 . . 1 . . . . . . . . 4079 1 362 . 1 1 31 31 PRO CD C 13 50.09 . . 1 . . . . . . . . 4079 1 363 . 1 1 32 32 ASP H H 1 8.48 . . 1 . . . . . . . . 4079 1 364 . 1 1 32 32 ASP HA H 1 4.49 . . 1 . . . . . . . . 4079 1 365 . 1 1 32 32 ASP HB2 H 1 2.61 . . 2 . . . . . . . . 4079 1 366 . 1 1 32 32 ASP HB3 H 1 2.53 . . 2 . . . . . . . . 4079 1 367 . 1 1 32 32 ASP CA C 13 53.45 . . 1 . . . . . . . . 4079 1 368 . 1 1 32 32 ASP CB C 13 40.39 . . 1 . . . . . . . . 4079 1 369 . 1 1 32 32 ASP N N 15 114.78 . . 1 . . . . . . . . 4079 1 370 . 1 1 33 33 ALA H H 1 7.47 . . 1 . . . . . . . . 4079 1 371 . 1 1 33 33 ALA HA H 1 4.31 . . 1 . . . . . . . . 4079 1 372 . 1 1 33 33 ALA HB1 H 1 1.25 . . 1 . . . . . . . . 4079 1 373 . 1 1 33 33 ALA HB2 H 1 1.25 . . 1 . . . . . . . . 4079 1 374 . 1 1 33 33 ALA HB3 H 1 1.25 . . 1 . . . . . . . . 4079 1 375 . 1 1 33 33 ALA CA C 13 51.62 . . 1 . . . . . . . . 4079 1 376 . 1 1 33 33 ALA CB C 13 19.73 . . 1 . . . . . . . . 4079 1 377 . 1 1 33 33 ALA N N 15 121.53 . . 1 . . . . . . . . 4079 1 378 . 1 1 34 34 SER H H 1 8.51 . . 1 . . . . . . . . 4079 1 379 . 1 1 34 34 SER HA H 1 4.37 . . 1 . . . . . . . . 4079 1 380 . 1 1 34 34 SER HB2 H 1 3.68 . . 1 . . . . . . . . 4079 1 381 . 1 1 34 34 SER HB3 H 1 3.68 . . 1 . . . . . . . . 4079 1 382 . 1 1 34 34 SER CA C 13 57.55 . . 1 . . . . . . . . 4079 1 383 . 1 1 34 34 SER CB C 13 63.23 . . 1 . . . . . . . . 4079 1 384 . 1 1 34 34 SER N N 15 116.23 . . 1 . . . . . . . . 4079 1 385 . 1 1 35 35 VAL H H 1 8.24 . . 1 . . . . . . . . 4079 1 386 . 1 1 35 35 VAL HA H 1 3.86 . . 1 . . . . . . . . 4079 1 387 . 1 1 35 35 VAL HB H 1 1.63 . . 1 . . . . . . . . 4079 1 388 . 1 1 35 35 VAL HG11 H 1 0.32 . . 2 . . . . . . . . 4079 1 389 . 1 1 35 35 VAL HG12 H 1 0.32 . . 2 . . . . . . . . 4079 1 390 . 1 1 35 35 VAL HG13 H 1 0.32 . . 2 . . . . . . . . 4079 1 391 . 1 1 35 35 VAL HG21 H 1 0.47 . . 2 . . . . . . . . 4079 1 392 . 1 1 35 35 VAL HG22 H 1 0.47 . . 2 . . . . . . . . 4079 1 393 . 1 1 35 35 VAL HG23 H 1 0.47 . . 2 . . . . . . . . 4079 1 394 . 1 1 35 35 VAL CA C 13 61.26 . . 1 . . . . . . . . 4079 1 395 . 1 1 35 35 VAL CB C 13 32.92 . . 1 . . . . . . . . 4079 1 396 . 1 1 35 35 VAL CG1 C 13 20.33 . . 2 . . . . . . . . 4079 1 397 . 1 1 35 35 VAL CG2 C 13 20.27 . . 2 . . . . . . . . 4079 1 398 . 1 1 35 35 VAL N N 15 121.44 . . 1 . . . . . . . . 4079 1 399 . 1 1 36 36 ASN H H 1 8.63 . . 1 . . . . . . . . 4079 1 400 . 1 1 36 36 ASN HA H 1 4.62 . . 1 . . . . . . . . 4079 1 401 . 1 1 36 36 ASN HB2 H 1 2.81 . . 2 . . . . . . . . 4079 1 402 . 1 1 36 36 ASN HB3 H 1 2.64 . . 2 . . . . . . . . 4079 1 403 . 1 1 36 36 ASN HD21 H 1 7.64 . . 2 . . . . . . . . 4079 1 404 . 1 1 36 36 ASN HD22 H 1 6.96 . . 2 . . . . . . . . 4079 1 405 . 1 1 36 36 ASN CA C 13 52.09 . . 1 . . . . . . . . 4079 1 406 . 1 1 36 36 ASN CB C 13 38.05 . . 1 . . . . . . . . 4079 1 407 . 1 1 36 36 ASN N N 15 124.01 . . 1 . . . . . . . . 4079 1 408 . 1 1 36 36 ASN ND2 N 15 111.80 . . 1 . . . . . . . . 4079 1 409 . 1 1 37 37 PHE H H 1 8.91 . . 1 . . . . . . . . 4079 1 410 . 1 1 37 37 PHE HA H 1 4.04 . . 1 . . . . . . . . 4079 1 411 . 1 1 37 37 PHE HB2 H 1 3.07 . . 2 . . . . . . . . 4079 1 412 . 1 1 37 37 PHE HB3 H 1 2.98 . . 2 . . . . . . . . 4079 1 413 . 1 1 37 37 PHE HD1 H 1 7.06 . . 1 . . . . . . . . 4079 1 414 . 1 1 37 37 PHE HD2 H 1 7.06 . . 1 . . . . . . . . 4079 1 415 . 1 1 37 37 PHE HE1 H 1 7.11 . . 1 . . . . . . . . 4079 1 416 . 1 1 37 37 PHE HE2 H 1 7.11 . . 1 . . . . . . . . 4079 1 417 . 1 1 37 37 PHE HZ H 1 7.12 . . 1 . . . . . . . . 4079 1 418 . 1 1 37 37 PHE CA C 13 61.64 . . 1 . . . . . . . . 4079 1 419 . 1 1 37 37 PHE CB C 13 38.64 . . 1 . . . . . . . . 4079 1 420 . 1 1 37 37 PHE CD1 C 13 131.14 . . 1 . . . . . . . . 4079 1 421 . 1 1 37 37 PHE CD2 C 13 131.14 . . 1 . . . . . . . . 4079 1 422 . 1 1 37 37 PHE CE1 C 13 131.02 . . 1 . . . . . . . . 4079 1 423 . 1 1 37 37 PHE CE2 C 13 131.02 . . 1 . . . . . . . . 4079 1 424 . 1 1 37 37 PHE CZ C 13 129.6 . . 1 . . . . . . . . 4079 1 425 . 1 1 37 37 PHE N N 15 124.85 . . 1 . . . . . . . . 4079 1 426 . 1 1 38 38 SER H H 1 8.58 . . 1 . . . . . . . . 4079 1 427 . 1 1 38 38 SER HA H 1 4.03 . . 1 . . . . . . . . 4079 1 428 . 1 1 38 38 SER HB2 H 1 3.84 . . 1 . . . . . . . . 4079 1 429 . 1 1 38 38 SER HB3 H 1 3.84 . . 1 . . . . . . . . 4079 1 430 . 1 1 38 38 SER CA C 13 61.46 . . 1 . . . . . . . . 4079 1 431 . 1 1 38 38 SER CB C 13 62.39 . . 1 . . . . . . . . 4079 1 432 . 1 1 38 38 SER N N 15 115.13 . . 1 . . . . . . . . 4079 1 433 . 1 1 39 39 GLU H H 1 7.81 . . 1 . . . . . . . . 4079 1 434 . 1 1 39 39 GLU HA H 1 3.91 . . 1 . . . . . . . . 4079 1 435 . 1 1 39 39 GLU HB2 H 1 1.89 . . 1 . . . . . . . . 4079 1 436 . 1 1 39 39 GLU HB3 H 1 1.89 . . 1 . . . . . . . . 4079 1 437 . 1 1 39 39 GLU HG2 H 1 2.23 . . 1 . . . . . . . . 4079 1 438 . 1 1 39 39 GLU HG3 H 1 2.11 . . 2 . . . . . . . . 4079 1 439 . 1 1 39 39 GLU CA C 13 58.48 . . 1 . . . . . . . . 4079 1 440 . 1 1 39 39 GLU CB C 13 29.61 . . 1 . . . . . . . . 4079 1 441 . 1 1 39 39 GLU CG C 13 35.50 . . 1 . . . . . . . . 4079 1 442 . 1 1 39 39 GLU N N 15 120.86 . . 1 . . . . . . . . 4079 1 443 . 1 1 40 40 PHE H H 1 8.51 . . 1 . . . . . . . . 4079 1 444 . 1 1 40 40 PHE HA H 1 3.90 . . 1 . . . . . . . . 4079 1 445 . 1 1 40 40 PHE HB2 H 1 2.91 . . 2 . . . . . . . . 4079 1 446 . 1 1 40 40 PHE HB3 H 1 2.64 . . 2 . . . . . . . . 4079 1 447 . 1 1 40 40 PHE HD1 H 1 6.78 . . 1 . . . . . . . . 4079 1 448 . 1 1 40 40 PHE HD2 H 1 6.78 . . 1 . . . . . . . . 4079 1 449 . 1 1 40 40 PHE HE1 H 1 6.81 . . 1 . . . . . . . . 4079 1 450 . 1 1 40 40 PHE HE2 H 1 6.81 . . 1 . . . . . . . . 4079 1 451 . 1 1 40 40 PHE HZ H 1 6.65 . . 1 . . . . . . . . 4079 1 452 . 1 1 40 40 PHE CA C 13 61.45 . . 1 . . . . . . . . 4079 1 453 . 1 1 40 40 PHE CB C 13 39.32 . . 1 . . . . . . . . 4079 1 454 . 1 1 40 40 PHE CD1 C 13 130.44 . . 1 . . . . . . . . 4079 1 455 . 1 1 40 40 PHE CD2 C 13 130.44 . . 1 . . . . . . . . 4079 1 456 . 1 1 40 40 PHE CE1 C 13 131.16 . . 1 . . . . . . . . 4079 1 457 . 1 1 40 40 PHE CE2 C 13 131.16 . . 1 . . . . . . . . 4079 1 458 . 1 1 40 40 PHE CZ C 13 129.12 . . 1 . . . . . . . . 4079 1 459 . 1 1 40 40 PHE N N 15 120.20 . . 1 . . . . . . . . 4079 1 460 . 1 1 41 41 SER H H 1 8.39 . . 1 . . . . . . . . 4079 1 461 . 1 1 41 41 SER HA H 1 3.59 . . 1 . . . . . . . . 4079 1 462 . 1 1 41 41 SER HB2 H 1 3.66 . . 1 . . . . . . . . 4079 1 463 . 1 1 41 41 SER HB3 H 1 3.66 . . 1 . . . . . . . . 4079 1 464 . 1 1 41 41 SER CA C 13 61.88 . . 1 . . . . . . . . 4079 1 465 . 1 1 41 41 SER CB C 13 61.99 . . 1 . . . . . . . . 4079 1 466 . 1 1 41 41 SER N N 15 113.64 . . 1 . . . . . . . . 4079 1 467 . 1 1 42 42 LYS H H 1 7.41 . . 1 . . . . . . . . 4079 1 468 . 1 1 42 42 LYS HA H 1 3.92 . . 1 . . . . . . . . 4079 1 469 . 1 1 42 42 LYS HB2 H 1 1.75 . . 1 . . . . . . . . 4079 1 470 . 1 1 42 42 LYS HB3 H 1 1.75 . . 1 . . . . . . . . 4079 1 471 . 1 1 42 42 LYS HG2 H 1 1.37 . . 2 . . . . . . . . 4079 1 472 . 1 1 42 42 LYS HG3 H 1 1.21 . . 2 . . . . . . . . 4079 1 473 . 1 1 42 42 LYS HD2 H 1 1.49 . . 1 . . . . . . . . 4079 1 474 . 1 1 42 42 LYS HD3 H 1 1.49 . . 1 . . . . . . . . 4079 1 475 . 1 1 42 42 LYS HE2 H 1 2.80 . . 1 . . . . . . . . 4079 1 476 . 1 1 42 42 LYS HE3 H 1 2.80 . . 1 . . . . . . . . 4079 1 477 . 1 1 42 42 LYS CA C 13 59.14 . . 1 . . . . . . . . 4079 1 478 . 1 1 42 42 LYS CB C 13 31.73 . . 1 . . . . . . . . 4079 1 479 . 1 1 42 42 LYS CG C 13 24.61 . . 1 . . . . . . . . 4079 1 480 . 1 1 42 42 LYS CD C 13 29.07 . . 1 . . . . . . . . 4079 1 481 . 1 1 42 42 LYS CE C 13 41.62 . . 1 . . . . . . . . 4079 1 482 . 1 1 42 42 LYS N N 15 120.78 . . 1 . . . . . . . . 4079 1 483 . 1 1 43 43 LYS H H 1 7.75 . . 1 . . . . . . . . 4079 1 484 . 1 1 43 43 LYS HA H 1 3.93 . . 1 . . . . . . . . 4079 1 485 . 1 1 43 43 LYS HB2 H 1 1.64 . . 1 . . . . . . . . 4079 1 486 . 1 1 43 43 LYS HB3 H 1 1.64 . . 1 . . . . . . . . 4079 1 487 . 1 1 43 43 LYS HG2 H 1 1.39 . . 2 . . . . . . . . 4079 1 488 . 1 1 43 43 LYS HG3 H 1 1.26 . . 2 . . . . . . . . 4079 1 489 . 1 1 43 43 LYS HD2 H 1 1.47 . . 1 . . . . . . . . 4079 1 490 . 1 1 43 43 LYS HD3 H 1 1.47 . . 1 . . . . . . . . 4079 1 491 . 1 1 43 43 LYS HE2 H 1 2.80 . . 1 . . . . . . . . 4079 1 492 . 1 1 43 43 LYS HE3 H 1 2.80 . . 1 . . . . . . . . 4079 1 493 . 1 1 43 43 LYS CA C 13 58.85 . . 1 . . . . . . . . 4079 1 494 . 1 1 43 43 LYS CB C 13 31.08 . . 1 . . . . . . . . 4079 1 495 . 1 1 43 43 LYS CG C 13 24.69 . . 1 . . . . . . . . 4079 1 496 . 1 1 43 43 LYS CD C 13 28.54 . . 1 . . . . . . . . 4079 1 497 . 1 1 43 43 LYS CE C 13 41.75 . . 1 . . . . . . . . 4079 1 498 . 1 1 43 43 LYS N N 15 118.20 . . 1 . . . . . . . . 4079 1 499 . 1 1 44 44 CYS H H 1 8.00 . . 1 . . . . . . . . 4079 1 500 . 1 1 44 44 CYS HA H 1 3.98 . . 1 . . . . . . . . 4079 1 501 . 1 1 44 44 CYS HB2 H 1 2.92 . . 2 . . . . . . . . 4079 1 502 . 1 1 44 44 CYS HB3 H 1 2.35 . . 2 . . . . . . . . 4079 1 503 . 1 1 44 44 CYS CA C 13 64.34 . . 1 . . . . . . . . 4079 1 504 . 1 1 44 44 CYS CB C 13 26.58 . . 1 . . . . . . . . 4079 1 505 . 1 1 44 44 CYS N N 15 115.95 . . 1 . . . . . . . . 4079 1 506 . 1 1 45 45 SER H H 1 8.28 . . 1 . . . . . . . . 4079 1 507 . 1 1 45 45 SER HA H 1 4.06 . . 1 . . . . . . . . 4079 1 508 . 1 1 45 45 SER HB2 H 1 3.91 . . 2 . . . . . . . . 4079 1 509 . 1 1 45 45 SER HB3 H 1 3.85 . . 2 . . . . . . . . 4079 1 510 . 1 1 45 45 SER CA C 13 61.83 . . 1 . . . . . . . . 4079 1 511 . 1 1 45 45 SER CB C 13 62.37 . . 1 . . . . . . . . 4079 1 512 . 1 1 45 45 SER N N 15 116.05 . . 1 . . . . . . . . 4079 1 513 . 1 1 46 46 GLU H H 1 7.84 . . 1 . . . . . . . . 4079 1 514 . 1 1 46 46 GLU HA H 1 3.94 . . 1 . . . . . . . . 4079 1 515 . 1 1 46 46 GLU HB2 H 1 1.98 . . 1 . . . . . . . . 4079 1 516 . 1 1 46 46 GLU HB3 H 1 1.98 . . 1 . . . . . . . . 4079 1 517 . 1 1 46 46 GLU HG2 H 1 2.30 . . 1 . . . . . . . . 4079 1 518 . 1 1 46 46 GLU HG3 H 1 2.18 . . 2 . . . . . . . . 4079 1 519 . 1 1 46 46 GLU CA C 13 58.66 . . 1 . . . . . . . . 4079 1 520 . 1 1 46 46 GLU CB C 13 29.45 . . 1 . . . . . . . . 4079 1 521 . 1 1 46 46 GLU CG C 13 35.67 . . 1 . . . . . . . . 4079 1 522 . 1 1 46 46 GLU N N 15 119.35 . . 1 . . . . . . . . 4079 1 523 . 1 1 47 47 ARG H H 1 8.05 . . 1 . . . . . . . . 4079 1 524 . 1 1 47 47 ARG HA H 1 4.01 . . 1 . . . . . . . . 4079 1 525 . 1 1 47 47 ARG HB2 H 1 2.00 . . 1 . . . . . . . . 4079 1 526 . 1 1 47 47 ARG HB3 H 1 2.00 . . 1 . . . . . . . . 4079 1 527 . 1 1 47 47 ARG HG2 H 1 1.74 . . 1 . . . . . . . . 4079 1 528 . 1 1 47 47 ARG HG3 H 1 1.74 . . 1 . . . . . . . . 4079 1 529 . 1 1 47 47 ARG HD2 H 1 3.21 . . 2 . . . . . . . . 4079 1 530 . 1 1 47 47 ARG HD3 H 1 3.15 . . 2 . . . . . . . . 4079 1 531 . 1 1 47 47 ARG CA C 13 58.31 . . 1 . . . . . . . . 4079 1 532 . 1 1 47 47 ARG CB C 13 30.31 . . 1 . . . . . . . . 4079 1 533 . 1 1 47 47 ARG CG C 13 27.68 . . 1 . . . . . . . . 4079 1 534 . 1 1 47 47 ARG CD C 13 43.15 . . 1 . . . . . . . . 4079 1 535 . 1 1 47 47 ARG N N 15 118.40 . . 1 . . . . . . . . 4079 1 536 . 1 1 48 48 TRP H H 1 8.68 . . 1 . . . . . . . . 4079 1 537 . 1 1 48 48 TRP HA H 1 4.22 . . 1 . . . . . . . . 4079 1 538 . 1 1 48 48 TRP HB2 H 1 3.27 . . 2 . . . . . . . . 4079 1 539 . 1 1 48 48 TRP HB3 H 1 3.15 . . 2 . . . . . . . . 4079 1 540 . 1 1 48 48 TRP HD1 H 1 6.90 . . 1 . . . . . . . . 4079 1 541 . 1 1 48 48 TRP HE1 H 1 10.06 . . 1 . . . . . . . . 4079 1 542 . 1 1 48 48 TRP HE3 H 1 6.16 . . 1 . . . . . . . . 4079 1 543 . 1 1 48 48 TRP HZ2 H 1 7.48 . . 1 . . . . . . . . 4079 1 544 . 1 1 48 48 TRP HZ3 H 1 6.35 . . 1 . . . . . . . . 4079 1 545 . 1 1 48 48 TRP HH2 H 1 6.97 . . 1 . . . . . . . . 4079 1 546 . 1 1 48 48 TRP CA C 13 59.29 . . 1 . . . . . . . . 4079 1 547 . 1 1 48 48 TRP CB C 13 30.48 . . 1 . . . . . . . . 4079 1 548 . 1 1 48 48 TRP CD1 C 13 127.26 . . 1 . . . . . . . . 4079 1 549 . 1 1 48 48 TRP CE3 C 13 121.32 . . 1 . . . . . . . . 4079 1 550 . 1 1 48 48 TRP CZ2 C 13 113.95 . . 1 . . . . . . . . 4079 1 551 . 1 1 48 48 TRP CZ3 C 13 121.0 . . 1 . . . . . . . . 4079 1 552 . 1 1 48 48 TRP CH2 C 13 123.71 . . 1 . . . . . . . . 4079 1 553 . 1 1 48 48 TRP N N 15 119.24 . . 1 . . . . . . . . 4079 1 554 . 1 1 49 49 LYS H H 1 7.35 . . 1 . . . . . . . . 4079 1 555 . 1 1 49 49 LYS HA H 1 3.89 . . 1 . . . . . . . . 4079 1 556 . 1 1 49 49 LYS HB2 H 1 1.83 . . 1 . . . . . . . . 4079 1 557 . 1 1 49 49 LYS HB3 H 1 1.83 . . 1 . . . . . . . . 4079 1 558 . 1 1 49 49 LYS HG2 H 1 1.57 . . 2 . . . . . . . . 4079 1 559 . 1 1 49 49 LYS HG3 H 1 1.33 . . 2 . . . . . . . . 4079 1 560 . 1 1 49 49 LYS HD2 H 1 1.53 . . 1 . . . . . . . . 4079 1 561 . 1 1 49 49 LYS HD3 H 1 1.53 . . 1 . . . . . . . . 4079 1 562 . 1 1 49 49 LYS HE2 H 1 2.80 . . 1 . . . . . . . . 4079 1 563 . 1 1 49 49 LYS HE3 H 1 2.80 . . 1 . . . . . . . . 4079 1 564 . 1 1 49 49 LYS CA C 13 58.51 . . 1 . . . . . . . . 4079 1 565 . 1 1 49 49 LYS CB C 13 32.54 . . 1 . . . . . . . . 4079 1 566 . 1 1 49 49 LYS CG C 13 25.15 . . 1 . . . . . . . . 4079 1 567 . 1 1 49 49 LYS CD C 13 29.28 . . 1 . . . . . . . . 4079 1 568 . 1 1 49 49 LYS CE C 13 41.87 . . 1 . . . . . . . . 4079 1 569 . 1 1 49 49 LYS N N 15 112.70 . . 1 . . . . . . . . 4079 1 570 . 1 1 50 50 THR H H 1 7.33 . . 1 . . . . . . . . 4079 1 571 . 1 1 50 50 THR HA H 1 4.24 . . 1 . . . . . . . . 4079 1 572 . 1 1 50 50 THR HB H 1 4.31 . . 1 . . . . . . . . 4079 1 573 . 1 1 50 50 THR HG21 H 1 1.06 . . 1 . . . . . . . . 4079 1 574 . 1 1 50 50 THR HG22 H 1 1.06 . . 1 . . . . . . . . 4079 1 575 . 1 1 50 50 THR HG23 H 1 1.06 . . 1 . . . . . . . . 4079 1 576 . 1 1 50 50 THR CA C 13 60.98 . . 1 . . . . . . . . 4079 1 577 . 1 1 50 50 THR CB C 13 69.50 . . 1 . . . . . . . . 4079 1 578 . 1 1 50 50 THR CG2 C 13 21.48 . . 1 . . . . . . . . 4079 1 579 . 1 1 50 50 THR N N 15 121.54 . . 1 . . . . . . . . 4079 1 580 . 1 1 51 51 MET H H 1 7.04 . . 1 . . . . . . . . 4079 1 581 . 1 1 51 51 MET HA H 1 4.05 . . 1 . . . . . . . . 4079 1 582 . 1 1 51 51 MET HB2 H 1 1.66 . . 2 . . . . . . . . 4079 1 583 . 1 1 51 51 MET HB3 H 1 1.45 . . 2 . . . . . . . . 4079 1 584 . 1 1 51 51 MET HG2 H 1 2.36 . . 1 . . . . . . . . 4079 1 585 . 1 1 51 51 MET HG3 H 1 2.36 . . 1 . . . . . . . . 4079 1 586 . 1 1 51 51 MET HE1 H 1 1.66 . . 1 . . . . . . . . 4079 1 587 . 1 1 51 51 MET HE2 H 1 1.66 . . 1 . . . . . . . . 4079 1 588 . 1 1 51 51 MET HE3 H 1 1.66 . . 1 . . . . . . . . 4079 1 589 . 1 1 51 51 MET CA C 13 56.17 . . 1 . . . . . . . . 4079 1 590 . 1 1 51 51 MET CB C 13 34.81 . . 1 . . . . . . . . 4079 1 591 . 1 1 51 51 MET CG C 13 31.30 . . 1 . . . . . . . . 4079 1 592 . 1 1 51 51 MET CE C 13 16.07 . . 1 . . . . . . . . 4079 1 593 . 1 1 51 51 MET N N 15 122.46 . . 1 . . . . . . . . 4079 1 594 . 1 1 52 52 SER H H 1 8.93 . . 1 . . . . . . . . 4079 1 595 . 1 1 52 52 SER HA H 1 4.20 . . 1 . . . . . . . . 4079 1 596 . 1 1 52 52 SER HB2 H 1 4.21 . . 2 . . . . . . . . 4079 1 597 . 1 1 52 52 SER HB3 H 1 3.90 . . 2 . . . . . . . . 4079 1 598 . 1 1 52 52 SER CA C 13 56.76 . . 1 . . . . . . . . 4079 1 599 . 1 1 52 52 SER CB C 13 65.11 . . 1 . . . . . . . . 4079 1 600 . 1 1 52 52 SER N N 15 118.44 . . 1 . . . . . . . . 4079 1 601 . 1 1 53 53 ALA H H 1 8.77 . . 1 . . . . . . . . 4079 1 602 . 1 1 53 53 ALA HA H 1 3.77 . . 1 . . . . . . . . 4079 1 603 . 1 1 53 53 ALA HB1 H 1 1.27 . . 1 . . . . . . . . 4079 1 604 . 1 1 53 53 ALA HB2 H 1 1.27 . . 1 . . . . . . . . 4079 1 605 . 1 1 53 53 ALA HB3 H 1 1.27 . . 1 . . . . . . . . 4079 1 606 . 1 1 53 53 ALA CA C 13 55.07 . . 1 . . . . . . . . 4079 1 607 . 1 1 53 53 ALA CB C 13 17.39 . . 1 . . . . . . . . 4079 1 608 . 1 1 53 53 ALA N N 15 121.87 . . 1 . . . . . . . . 4079 1 609 . 1 1 54 54 LYS H H 1 8.17 . . 1 . . . . . . . . 4079 1 610 . 1 1 54 54 LYS HA H 1 3.90 . . 1 . . . . . . . . 4079 1 611 . 1 1 54 54 LYS HB2 H 1 1.62 . . 1 . . . . . . . . 4079 1 612 . 1 1 54 54 LYS HB3 H 1 1.62 . . 1 . . . . . . . . 4079 1 613 . 1 1 54 54 LYS HG2 H 1 1.26 . . 1 . . . . . . . . 4079 1 614 . 1 1 54 54 LYS HG3 H 1 1.26 . . 1 . . . . . . . . 4079 1 615 . 1 1 54 54 LYS HD2 H 1 1.52 . . 1 . . . . . . . . 4079 1 616 . 1 1 54 54 LYS HD3 H 1 1.52 . . 1 . . . . . . . . 4079 1 617 . 1 1 54 54 LYS HE2 H 1 2.84 . . 1 . . . . . . . . 4079 1 618 . 1 1 54 54 LYS HE3 H 1 2.84 . . 1 . . . . . . . . 4079 1 619 . 1 1 54 54 LYS CA C 13 58.78 . . 1 . . . . . . . . 4079 1 620 . 1 1 54 54 LYS CB C 13 31.84 . . 1 . . . . . . . . 4079 1 621 . 1 1 54 54 LYS CG C 13 24.65 . . 1 . . . . . . . . 4079 1 622 . 1 1 54 54 LYS CD C 13 28.81 . . 1 . . . . . . . . 4079 1 623 . 1 1 54 54 LYS CE C 13 41.83 . . 1 . . . . . . . . 4079 1 624 . 1 1 54 54 LYS N N 15 116.57 . . 1 . . . . . . . . 4079 1 625 . 1 1 55 55 GLU H H 1 7.60 . . 1 . . . . . . . . 4079 1 626 . 1 1 55 55 GLU HA H 1 3.94 . . 1 . . . . . . . . 4079 1 627 . 1 1 55 55 GLU HB2 H 1 2.08 . . 2 . . . . . . . . 4079 1 628 . 1 1 55 55 GLU HB3 H 1 1.97 . . 2 . . . . . . . . 4079 1 629 . 1 1 55 55 GLU HG2 H 1 2.24 . . 1 . . . . . . . . 4079 1 630 . 1 1 55 55 GLU HG3 H 1 2.24 . . 1 . . . . . . . . 4079 1 631 . 1 1 55 55 GLU CA C 13 58.55 . . 1 . . . . . . . . 4079 1 632 . 1 1 55 55 GLU CB C 13 29.94 . . 1 . . . . . . . . 4079 1 633 . 1 1 55 55 GLU CG C 13 36.96 . . 1 . . . . . . . . 4079 1 634 . 1 1 55 55 GLU N N 15 118.77 . . 1 . . . . . . . . 4079 1 635 . 1 1 56 56 LYS H H 1 8.04 . . 1 . . . . . . . . 4079 1 636 . 1 1 56 56 LYS HA H 1 4.02 . . 1 . . . . . . . . 4079 1 637 . 1 1 56 56 LYS HB2 H 1 1.62 . . 2 . . . . . . . . 4079 1 638 . 1 1 56 56 LYS HB3 H 1 1.41 . . 2 . . . . . . . . 4079 1 639 . 1 1 56 56 LYS HG2 H 1 0.86 . . 2 . . . . . . . . 4079 1 640 . 1 1 56 56 LYS HG3 H 1 -0.16 . . 2 . . . . . . . . 4079 1 641 . 1 1 56 56 LYS HD2 H 1 0.73 . . 2 . . . . . . . . 4079 1 642 . 1 1 56 56 LYS HD3 H 1 0.66 . . 2 . . . . . . . . 4079 1 643 . 1 1 56 56 LYS HE2 H 1 1.78 . . 1 . . . . . . . . 4079 1 644 . 1 1 56 56 LYS HE3 H 1 1.78 . . 1 . . . . . . . . 4079 1 645 . 1 1 56 56 LYS CA C 13 59.13 . . 1 . . . . . . . . 4079 1 646 . 1 1 56 56 LYS CB C 13 32.73 . . 1 . . . . . . . . 4079 1 647 . 1 1 56 56 LYS CG C 13 26.14 . . 1 . . . . . . . . 4079 1 648 . 1 1 56 56 LYS CD C 13 28.96 . . 1 . . . . . . . . 4079 1 649 . 1 1 56 56 LYS CE C 13 41.54 . . 1 . . . . . . . . 4079 1 650 . 1 1 56 56 LYS N N 15 115.32 . . 1 . . . . . . . . 4079 1 651 . 1 1 57 57 GLY H H 1 7.75 . . 1 . . . . . . . . 4079 1 652 . 1 1 57 57 GLY HA2 H 1 3.89 . . 2 . . . . . . . . 4079 1 653 . 1 1 57 57 GLY HA3 H 1 3.70 . . 2 . . . . . . . . 4079 1 654 . 1 1 57 57 GLY CA C 13 47.65 . . 1 . . . . . . . . 4079 1 655 . 1 1 57 57 GLY N N 15 122.49 . . 1 . . . . . . . . 4079 1 656 . 1 1 58 58 LYS H H 1 7.86 . . 1 . . . . . . . . 4079 1 657 . 1 1 58 58 LYS HA H 1 3.91 . . 1 . . . . . . . . 4079 1 658 . 1 1 58 58 LYS HB2 H 1 1.48 . . 2 . . . . . . . . 4079 1 659 . 1 1 58 58 LYS HB3 H 1 1.17 . . 2 . . . . . . . . 4079 1 660 . 1 1 58 58 LYS HG2 H 1 0.69 . . 2 . . . . . . . . 4079 1 661 . 1 1 58 58 LYS HG3 H 1 0.56 . . 2 . . . . . . . . 4079 1 662 . 1 1 58 58 LYS HD2 H 1 1.32 . . 1 . . . . . . . . 4079 1 663 . 1 1 58 58 LYS HD3 H 1 1.32 . . 1 . . . . . . . . 4079 1 664 . 1 1 58 58 LYS HE2 H 1 2.63 . . 1 . . . . . . . . 4079 1 665 . 1 1 58 58 LYS HE3 H 1 2.63 . . 1 . . . . . . . . 4079 1 666 . 1 1 58 58 LYS CA C 13 58.68 . . 1 . . . . . . . . 4079 1 667 . 1 1 58 58 LYS CB C 13 31.28 . . 1 . . . . . . . . 4079 1 668 . 1 1 58 58 LYS CG C 13 23.30 . . 1 . . . . . . . . 4079 1 669 . 1 1 58 58 LYS CD C 13 28.79 . . 1 . . . . . . . . 4079 1 670 . 1 1 58 58 LYS CE C 13 41.36 . . 1 . . . . . . . . 4079 1 671 . 1 1 58 58 LYS N N 15 117.76 . . 1 . . . . . . . . 4079 1 672 . 1 1 59 59 PHE H H 1 7.21 . . 1 . . . . . . . . 4079 1 673 . 1 1 59 59 PHE HA H 1 4.34 . . 1 . . . . . . . . 4079 1 674 . 1 1 59 59 PHE HB2 H 1 4.00 . . 2 . . . . . . . . 4079 1 675 . 1 1 59 59 PHE HB3 H 1 3.24 . . 2 . . . . . . . . 4079 1 676 . 1 1 59 59 PHE HD1 H 1 7.47 . . 1 . . . . . . . . 4079 1 677 . 1 1 59 59 PHE HD2 H 1 7.47 . . 1 . . . . . . . . 4079 1 678 . 1 1 59 59 PHE HE1 H 1 7.58 . . 1 . . . . . . . . 4079 1 679 . 1 1 59 59 PHE HE2 H 1 7.58 . . 1 . . . . . . . . 4079 1 680 . 1 1 59 59 PHE HZ H 1 7.70 . . 1 . . . . . . . . 4079 1 681 . 1 1 59 59 PHE CA C 13 60.37 . . 1 . . . . . . . . 4079 1 682 . 1 1 59 59 PHE CB C 13 38.53 . . 1 . . . . . . . . 4079 1 683 . 1 1 59 59 PHE CD1 C 13 131.57 . . 1 . . . . . . . . 4079 1 684 . 1 1 59 59 PHE CD2 C 13 131.57 . . 1 . . . . . . . . 4079 1 685 . 1 1 59 59 PHE CE1 C 13 131.95 . . 1 . . . . . . . . 4079 1 686 . 1 1 59 59 PHE CE2 C 13 131.95 . . 1 . . . . . . . . 4079 1 687 . 1 1 59 59 PHE CZ C 13 130.41 . . 1 . . . . . . . . 4079 1 688 . 1 1 59 59 PHE N N 15 118.44 . . 1 . . . . . . . . 4079 1 689 . 1 1 60 60 GLU H H 1 8.36 . . 1 . . . . . . . . 4079 1 690 . 1 1 60 60 GLU HA H 1 4.31 . . 1 . . . . . . . . 4079 1 691 . 1 1 60 60 GLU HB2 H 1 2.21 . . 2 . . . . . . . . 4079 1 692 . 1 1 60 60 GLU HB3 H 1 2.10 . . 2 . . . . . . . . 4079 1 693 . 1 1 60 60 GLU HG2 H 1 2.43 . . 1 . . . . . . . . 4079 1 694 . 1 1 60 60 GLU HG3 H 1 2.39 . . 2 . . . . . . . . 4079 1 695 . 1 1 60 60 GLU CA C 13 58.77 . . 1 . . . . . . . . 4079 1 696 . 1 1 60 60 GLU CB C 13 28.42 . . 1 . . . . . . . . 4079 1 697 . 1 1 60 60 GLU CG C 13 35.41 . . 1 . . . . . . . . 4079 1 698 . 1 1 60 60 GLU N N 15 120.72 . . 1 . . . . . . . . 4079 1 699 . 1 1 61 61 ASP H H 1 8.54 . . 1 . . . . . . . . 4079 1 700 . 1 1 61 61 ASP HA H 1 4.32 . . 1 . . . . . . . . 4079 1 701 . 1 1 61 61 ASP HB2 H 1 2.62 . . 2 . . . . . . . . 4079 1 702 . 1 1 61 61 ASP HB3 H 1 2.45 . . 2 . . . . . . . . 4079 1 703 . 1 1 61 61 ASP CA C 13 57.36 . . 1 . . . . . . . . 4079 1 704 . 1 1 61 61 ASP CB C 13 39.13 . . 1 . . . . . . . . 4079 1 705 . 1 1 61 61 ASP N N 15 119.59 . . 1 . . . . . . . . 4079 1 706 . 1 1 62 62 MET H H 1 7.28 . . 1 . . . . . . . . 4079 1 707 . 1 1 62 62 MET HA H 1 3.64 . . 1 . . . . . . . . 4079 1 708 . 1 1 62 62 MET HB2 H 1 1.54 . . 2 . . . . . . . . 4079 1 709 . 1 1 62 62 MET HB3 H 1 0.28 . . 2 . . . . . . . . 4079 1 710 . 1 1 62 62 MET HG2 H 1 2.54 . . 2 . . . . . . . . 4079 1 711 . 1 1 62 62 MET HG3 H 1 2.08 . . 2 . . . . . . . . 4079 1 712 . 1 1 62 62 MET HE1 H 1 1.78 . . 1 . . . . . . . . 4079 1 713 . 1 1 62 62 MET HE2 H 1 1.78 . . 1 . . . . . . . . 4079 1 714 . 1 1 62 62 MET HE3 H 1 1.78 . . 1 . . . . . . . . 4079 1 715 . 1 1 62 62 MET CA C 13 58.99 . . 1 . . . . . . . . 4079 1 716 . 1 1 62 62 MET CB C 13 31.18 . . 1 . . . . . . . . 4079 1 717 . 1 1 62 62 MET CG C 13 32.01 . . 1 . . . . . . . . 4079 1 718 . 1 1 62 62 MET CE C 13 17.66 . . 1 . . . . . . . . 4079 1 719 . 1 1 62 62 MET N N 15 119.31 . . 1 . . . . . . . . 4079 1 720 . 1 1 63 63 ALA H H 1 7.95 . . 1 . . . . . . . . 4079 1 721 . 1 1 63 63 ALA HA H 1 4.25 . . 1 . . . . . . . . 4079 1 722 . 1 1 63 63 ALA HB1 H 1 1.62 . . 1 . . . . . . . . 4079 1 723 . 1 1 63 63 ALA HB2 H 1 1.62 . . 1 . . . . . . . . 4079 1 724 . 1 1 63 63 ALA HB3 H 1 1.62 . . 1 . . . . . . . . 4079 1 725 . 1 1 63 63 ALA CA C 13 55.04 . . 1 . . . . . . . . 4079 1 726 . 1 1 63 63 ALA CB C 13 18.22 . . 1 . . . . . . . . 4079 1 727 . 1 1 63 63 ALA N N 15 121.89 . . 1 . . . . . . . . 4079 1 728 . 1 1 64 64 LYS H H 1 8.52 . . 1 . . . . . . . . 4079 1 729 . 1 1 64 64 LYS HA H 1 3.98 . . 1 . . . . . . . . 4079 1 730 . 1 1 64 64 LYS HB2 H 1 1.87 . . 1 . . . . . . . . 4079 1 731 . 1 1 64 64 LYS HB3 H 1 1.87 . . 1 . . . . . . . . 4079 1 732 . 1 1 64 64 LYS HG2 H 1 1.54 . . 2 . . . . . . . . 4079 1 733 . 1 1 64 64 LYS HG3 H 1 1.33 . . 2 . . . . . . . . 4079 1 734 . 1 1 64 64 LYS HD2 H 1 1.61 . . 1 . . . . . . . . 4079 1 735 . 1 1 64 64 LYS HD3 H 1 1.61 . . 1 . . . . . . . . 4079 1 736 . 1 1 64 64 LYS HE2 H 1 2.88 . . 1 . . . . . . . . 4079 1 737 . 1 1 64 64 LYS HE3 H 1 2.88 . . 1 . . . . . . . . 4079 1 738 . 1 1 64 64 LYS CA C 13 59.83 . . 1 . . . . . . . . 4079 1 739 . 1 1 64 64 LYS CB C 13 31.99 . . 1 . . . . . . . . 4079 1 740 . 1 1 64 64 LYS CG C 13 25.27 . . 1 . . . . . . . . 4079 1 741 . 1 1 64 64 LYS CD C 13 29.29 . . 1 . . . . . . . . 4079 1 742 . 1 1 64 64 LYS CE C 13 41.89 . . 1 . . . . . . . . 4079 1 743 . 1 1 64 64 LYS N N 15 120.78 . . 1 . . . . . . . . 4079 1 744 . 1 1 65 65 ALA H H 1 7.85 . . 1 . . . . . . . . 4079 1 745 . 1 1 65 65 ALA HA H 1 4.18 . . 1 . . . . . . . . 4079 1 746 . 1 1 65 65 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 4079 1 747 . 1 1 65 65 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 4079 1 748 . 1 1 65 65 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 4079 1 749 . 1 1 65 65 ALA CA C 13 54.44 . . 1 . . . . . . . . 4079 1 750 . 1 1 65 65 ALA CB C 13 17.18 . . 1 . . . . . . . . 4079 1 751 . 1 1 65 65 ALA N N 15 121.34 . . 1 . . . . . . . . 4079 1 752 . 1 1 66 66 ASP H H 1 8.27 . . 1 . . . . . . . . 4079 1 753 . 1 1 66 66 ASP HA H 1 4.79 . . 1 . . . . . . . . 4079 1 754 . 1 1 66 66 ASP HB2 H 1 2.99 . . 2 . . . . . . . . 4079 1 755 . 1 1 66 66 ASP HB3 H 1 2.96 . . 2 . . . . . . . . 4079 1 756 . 1 1 66 66 ASP CA C 13 57.12 . . 1 . . . . . . . . 4079 1 757 . 1 1 66 66 ASP CB C 13 42.57 . . 1 . . . . . . . . 4079 1 758 . 1 1 66 66 ASP N N 15 118.89 . . 1 . . . . . . . . 4079 1 759 . 1 1 67 67 LYS H H 1 8.15 . . 1 . . . . . . . . 4079 1 760 . 1 1 67 67 LYS HA H 1 3.89 . . 1 . . . . . . . . 4079 1 761 . 1 1 67 67 LYS HB2 H 1 1.99 . . 2 . . . . . . . . 4079 1 762 . 1 1 67 67 LYS HB3 H 1 1.84 . . 2 . . . . . . . . 4079 1 763 . 1 1 67 67 LYS HG2 H 1 1.31 . . 1 . . . . . . . . 4079 1 764 . 1 1 67 67 LYS HG3 H 1 1.31 . . 1 . . . . . . . . 4079 1 765 . 1 1 67 67 LYS HD2 H 1 1.62 . . 1 . . . . . . . . 4079 1 766 . 1 1 67 67 LYS HD3 H 1 1.62 . . 1 . . . . . . . . 4079 1 767 . 1 1 67 67 LYS HE2 H 1 2.94 . . 1 . . . . . . . . 4079 1 768 . 1 1 67 67 LYS HE3 H 1 2.94 . . 1 . . . . . . . . 4079 1 769 . 1 1 67 67 LYS CA C 13 59.52 . . 1 . . . . . . . . 4079 1 770 . 1 1 67 67 LYS CB C 13 32.07 . . 1 . . . . . . . . 4079 1 771 . 1 1 67 67 LYS CG C 13 24.84 . . 1 . . . . . . . . 4079 1 772 . 1 1 67 67 LYS CD C 13 29.65 . . 1 . . . . . . . . 4079 1 773 . 1 1 67 67 LYS CE C 13 42.07 . . 1 . . . . . . . . 4079 1 774 . 1 1 67 67 LYS N N 15 119.17 . . 1 . . . . . . . . 4079 1 775 . 1 1 68 68 ALA H H 1 7.39 . . 1 . . . . . . . . 4079 1 776 . 1 1 68 68 ALA HA H 1 4.13 . . 1 . . . . . . . . 4079 1 777 . 1 1 68 68 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 4079 1 778 . 1 1 68 68 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 4079 1 779 . 1 1 68 68 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 4079 1 780 . 1 1 68 68 ALA CA C 13 54.57 . . 1 . . . . . . . . 4079 1 781 . 1 1 68 68 ALA CB C 13 17.38 . . 1 . . . . . . . . 4079 1 782 . 1 1 68 68 ALA N N 15 119.29 . . 1 . . . . . . . . 4079 1 783 . 1 1 69 69 ARG H H 1 7.89 . . 1 . . . . . . . . 4079 1 784 . 1 1 69 69 ARG HA H 1 3.86 . . 1 . . . . . . . . 4079 1 785 . 1 1 69 69 ARG HB2 H 1 2.36 . . 2 . . . . . . . . 4079 1 786 . 1 1 69 69 ARG HB3 H 1 1.91 . . 2 . . . . . . . . 4079 1 787 . 1 1 69 69 ARG HG2 H 1 1.81 . . 2 . . . . . . . . 4079 1 788 . 1 1 69 69 ARG HG3 H 1 1.63 . . 2 . . . . . . . . 4079 1 789 . 1 1 69 69 ARG HD2 H 1 3.05 . . 2 . . . . . . . . 4079 1 790 . 1 1 69 69 ARG HD3 H 1 2.97 . . 2 . . . . . . . . 4079 1 791 . 1 1 69 69 ARG CA C 13 59.08 . . 1 . . . . . . . . 4079 1 792 . 1 1 69 69 ARG CB C 13 27.27 . . 1 . . . . . . . . 4079 1 793 . 1 1 69 69 ARG CG C 13 24.90 . . 1 . . . . . . . . 4079 1 794 . 1 1 69 69 ARG CD C 13 41.92 . . 1 . . . . . . . . 4079 1 795 . 1 1 69 69 ARG N N 15 119.41 . . 1 . . . . . . . . 4079 1 796 . 1 1 70 70 TYR H H 1 8.50 . . 1 . . . . . . . . 4079 1 797 . 1 1 70 70 TYR HA H 1 3.81 . . 1 . . . . . . . . 4079 1 798 . 1 1 70 70 TYR HB2 H 1 3.04 . . 2 . . . . . . . . 4079 1 799 . 1 1 70 70 TYR HB3 H 1 2.94 . . 2 . . . . . . . . 4079 1 800 . 1 1 70 70 TYR HD1 H 1 7.07 . . 1 . . . . . . . . 4079 1 801 . 1 1 70 70 TYR HD2 H 1 7.07 . . 1 . . . . . . . . 4079 1 802 . 1 1 70 70 TYR HE1 H 1 6.67 . . 1 . . . . . . . . 4079 1 803 . 1 1 70 70 TYR HE2 H 1 6.67 . . 1 . . . . . . . . 4079 1 804 . 1 1 70 70 TYR CA C 13 62.12 . . 1 . . . . . . . . 4079 1 805 . 1 1 70 70 TYR CB C 13 38.88 . . 1 . . . . . . . . 4079 1 806 . 1 1 70 70 TYR CD1 C 13 133.0 . . 1 . . . . . . . . 4079 1 807 . 1 1 70 70 TYR CD2 C 13 133.0 . . 1 . . . . . . . . 4079 1 808 . 1 1 70 70 TYR CE1 C 13 117.79 . . 1 . . . . . . . . 4079 1 809 . 1 1 70 70 TYR CE2 C 13 117.79 . . 1 . . . . . . . . 4079 1 810 . 1 1 70 70 TYR N N 15 120.32 . . 1 . . . . . . . . 4079 1 811 . 1 1 71 71 GLU H H 1 8.37 . . 1 . . . . . . . . 4079 1 812 . 1 1 71 71 GLU HA H 1 3.63 . . 1 . . . . . . . . 4079 1 813 . 1 1 71 71 GLU HB2 H 1 2.00 . . 2 . . . . . . . . 4079 1 814 . 1 1 71 71 GLU HB3 H 1 1.89 . . 2 . . . . . . . . 4079 1 815 . 1 1 71 71 GLU HG2 H 1 2.61 . . 1 . . . . . . . . 4079 1 816 . 1 1 71 71 GLU HG3 H 1 2.29 . . 2 . . . . . . . . 4079 1 817 . 1 1 71 71 GLU CA C 13 58.98 . . 1 . . . . . . . . 4079 1 818 . 1 1 71 71 GLU CB C 13 29.01 . . 1 . . . . . . . . 4079 1 819 . 1 1 71 71 GLU CG C 13 36.50 . . 1 . . . . . . . . 4079 1 820 . 1 1 71 71 GLU N N 15 115.48 . . 1 . . . . . . . . 4079 1 821 . 1 1 72 72 ARG H H 1 7.95 . . 1 . . . . . . . . 4079 1 822 . 1 1 72 72 ARG HA H 1 3.96 . . 1 . . . . . . . . 4079 1 823 . 1 1 72 72 ARG HB2 H 1 1.86 . . 1 . . . . . . . . 4079 1 824 . 1 1 72 72 ARG HB3 H 1 1.86 . . 1 . . . . . . . . 4079 1 825 . 1 1 72 72 ARG HG2 H 1 1.61 . . 2 . . . . . . . . 4079 1 826 . 1 1 72 72 ARG HG3 H 1 1.48 . . 2 . . . . . . . . 4079 1 827 . 1 1 72 72 ARG HD2 H 1 3.13 . . 1 . . . . . . . . 4079 1 828 . 1 1 72 72 ARG HD3 H 1 3.13 . . 1 . . . . . . . . 4079 1 829 . 1 1 72 72 ARG CA C 13 59.18 . . 1 . . . . . . . . 4079 1 830 . 1 1 72 72 ARG CB C 13 29.76 . . 1 . . . . . . . . 4079 1 831 . 1 1 72 72 ARG CG C 13 27.02 . . 1 . . . . . . . . 4079 1 832 . 1 1 72 72 ARG CD C 13 43.20 . . 1 . . . . . . . . 4079 1 833 . 1 1 72 72 ARG N N 15 117.95 . . 1 . . . . . . . . 4079 1 834 . 1 1 73 73 GLU H H 1 8.40 . . 1 . . . . . . . . 4079 1 835 . 1 1 73 73 GLU HA H 1 3.87 . . 1 . . . . . . . . 4079 1 836 . 1 1 73 73 GLU HG2 H 1 2.52 . . 1 . . . . . . . . 4079 1 837 . 1 1 73 73 GLU HG3 H 1 2.05 . . 2 . . . . . . . . 4079 1 838 . 1 1 73 73 GLU CA C 13 59.00 . . 1 . . . . . . . . 4079 1 839 . 1 1 73 73 GLU CG C 13 36.96 . . 1 . . . . . . . . 4079 1 840 . 1 1 73 73 GLU N N 15 118.27 . . 1 . . . . . . . . 4079 1 841 . 1 1 74 74 MET H H 1 8.37 . . 1 . . . . . . . . 4079 1 842 . 1 1 74 74 MET HA H 1 4.29 . . 1 . . . . . . . . 4079 1 843 . 1 1 74 74 MET HB2 H 1 1.71 . . 1 . . . . . . . . 4079 1 844 . 1 1 74 74 MET HB3 H 1 1.71 . . 1 . . . . . . . . 4079 1 845 . 1 1 74 74 MET HG2 H 1 1.82 . . 2 . . . . . . . . 4079 1 846 . 1 1 74 74 MET HG3 H 1 1.63 . . 2 . . . . . . . . 4079 1 847 . 1 1 74 74 MET HE1 H 1 1.87 . . 1 . . . . . . . . 4079 1 848 . 1 1 74 74 MET HE2 H 1 1.87 . . 1 . . . . . . . . 4079 1 849 . 1 1 74 74 MET HE3 H 1 1.87 . . 1 . . . . . . . . 4079 1 850 . 1 1 74 74 MET CA C 13 55.49 . . 1 . . . . . . . . 4079 1 851 . 1 1 74 74 MET CB C 13 30.06 . . 1 . . . . . . . . 4079 1 852 . 1 1 74 74 MET CG C 13 31.85 . . 1 . . . . . . . . 4079 1 853 . 1 1 74 74 MET CE C 13 15.76 . . 1 . . . . . . . . 4079 1 854 . 1 1 74 74 MET N N 15 115.82 . . 1 . . . . . . . . 4079 1 855 . 1 1 75 75 LYS H H 1 7.43 . . 1 . . . . . . . . 4079 1 856 . 1 1 75 75 LYS HA H 1 4.03 . . 1 . . . . . . . . 4079 1 857 . 1 1 75 75 LYS HB2 H 1 1.84 . . 1 . . . . . . . . 4079 1 858 . 1 1 75 75 LYS HB3 H 1 1.84 . . 1 . . . . . . . . 4079 1 859 . 1 1 75 75 LYS HG2 H 1 1.53 . . 2 . . . . . . . . 4079 1 860 . 1 1 75 75 LYS HG3 H 1 1.37 . . 2 . . . . . . . . 4079 1 861 . 1 1 75 75 LYS HD2 H 1 1.56 . . 1 . . . . . . . . 4079 1 862 . 1 1 75 75 LYS HD3 H 1 1.56 . . 1 . . . . . . . . 4079 1 863 . 1 1 75 75 LYS HE2 H 1 2.83 . . 1 . . . . . . . . 4079 1 864 . 1 1 75 75 LYS HE3 H 1 2.83 . . 1 . . . . . . . . 4079 1 865 . 1 1 75 75 LYS CA C 13 58.30 . . 1 . . . . . . . . 4079 1 866 . 1 1 75 75 LYS CB C 13 32.09 . . 1 . . . . . . . . 4079 1 867 . 1 1 75 75 LYS CG C 13 25.10 . . 1 . . . . . . . . 4079 1 868 . 1 1 75 75 LYS CD C 13 28.86 . . 1 . . . . . . . . 4079 1 869 . 1 1 75 75 LYS CE C 13 41.68 . . 1 . . . . . . . . 4079 1 870 . 1 1 75 75 LYS N N 15 117.32 . . 1 . . . . . . . . 4079 1 871 . 1 1 76 76 THR H H 1 7.25 . . 1 . . . . . . . . 4079 1 872 . 1 1 76 76 THR HA H 1 4.25 . . 1 . . . . . . . . 4079 1 873 . 1 1 76 76 THR HB H 1 4.30 . . 1 . . . . . . . . 4079 1 874 . 1 1 76 76 THR HG21 H 1 1.07 . . 1 . . . . . . . . 4079 1 875 . 1 1 76 76 THR HG22 H 1 1.07 . . 1 . . . . . . . . 4079 1 876 . 1 1 76 76 THR HG23 H 1 1.07 . . 1 . . . . . . . . 4079 1 877 . 1 1 76 76 THR CA C 13 60.98 . . 1 . . . . . . . . 4079 1 878 . 1 1 76 76 THR CB C 13 69.35 . . 1 . . . . . . . . 4079 1 879 . 1 1 76 76 THR CG2 C 13 21.27 . . 1 . . . . . . . . 4079 1 880 . 1 1 76 76 THR N N 15 122.04 . . 1 . . . . . . . . 4079 1 881 . 1 1 77 77 TYR H H 1 7.38 . . 1 . . . . . . . . 4079 1 882 . 1 1 77 77 TYR HA H 1 4.37 . . 1 . . . . . . . . 4079 1 883 . 1 1 77 77 TYR HB2 H 1 2.92 . . 2 . . . . . . . . 4079 1 884 . 1 1 77 77 TYR HB3 H 1 2.79 . . 2 . . . . . . . . 4079 1 885 . 1 1 77 77 TYR HD1 H 1 6.95 . . 1 . . . . . . . . 4079 1 886 . 1 1 77 77 TYR HD2 H 1 6.95 . . 1 . . . . . . . . 4079 1 887 . 1 1 77 77 TYR HE1 H 1 6.60 . . 1 . . . . . . . . 4079 1 888 . 1 1 77 77 TYR HE2 H 1 6.60 . . 1 . . . . . . . . 4079 1 889 . 1 1 77 77 TYR CA C 13 58.04 . . 1 . . . . . . . . 4079 1 890 . 1 1 77 77 TYR CB C 13 38.81 . . 1 . . . . . . . . 4079 1 891 . 1 1 77 77 TYR CD1 C 13 132.9 . . 1 . . . . . . . . 4079 1 892 . 1 1 77 77 TYR CD2 C 13 132.9 . . 1 . . . . . . . . 4079 1 893 . 1 1 77 77 TYR CE1 C 13 117.27 . . 1 . . . . . . . . 4079 1 894 . 1 1 77 77 TYR CE2 C 13 117.27 . . 1 . . . . . . . . 4079 1 895 . 1 1 77 77 TYR N N 15 122.35 . . 1 . . . . . . . . 4079 1 896 . 1 1 78 78 ILE H H 1 7.72 . . 1 . . . . . . . . 4079 1 897 . 1 1 78 78 ILE HA H 1 4.13 . . 1 . . . . . . . . 4079 1 898 . 1 1 78 78 ILE HB H 1 1.49 . . 1 . . . . . . . . 4079 1 899 . 1 1 78 78 ILE HG12 H 1 1.28 . . 2 . . . . . . . . 4079 1 900 . 1 1 78 78 ILE HG13 H 1 0.86 . . 2 . . . . . . . . 4079 1 901 . 1 1 78 78 ILE HG21 H 1 0.64 . . 1 . . . . . . . . 4079 1 902 . 1 1 78 78 ILE HG22 H 1 0.64 . . 1 . . . . . . . . 4079 1 903 . 1 1 78 78 ILE HG23 H 1 0.64 . . 1 . . . . . . . . 4079 1 904 . 1 1 78 78 ILE HD11 H 1 0.64 . . 1 . . . . . . . . 4079 1 905 . 1 1 78 78 ILE HD12 H 1 0.64 . . 1 . . . . . . . . 4079 1 906 . 1 1 78 78 ILE HD13 H 1 0.64 . . 1 . . . . . . . . 4079 1 907 . 1 1 78 78 ILE CA C 13 56.91 . . 1 . . . . . . . . 4079 1 908 . 1 1 78 78 ILE CB C 13 38.78 . . 1 . . . . . . . . 4079 1 909 . 1 1 78 78 ILE CG1 C 13 26.56 . . 1 . . . . . . . . 4079 1 910 . 1 1 78 78 ILE CG2 C 13 16.46 . . 1 . . . . . . . . 4079 1 911 . 1 1 78 78 ILE CD1 C 13 11.98 . . 1 . . . . . . . . 4079 1 912 . 1 1 78 78 ILE N N 15 111.14 . . 1 . . . . . . . . 4079 1 913 . 1 1 79 79 PRO HA H 1 4.25 . . 1 . . . . . . . . 4079 1 914 . 1 1 79 79 PRO HB2 H 1 2.18 . . 2 . . . . . . . . 4079 1 915 . 1 1 79 79 PRO HB3 H 1 1.73 . . 2 . . . . . . . . 4079 1 916 . 1 1 79 79 PRO HG2 H 1 1.84 . . 2 . . . . . . . . 4079 1 917 . 1 1 79 79 PRO HG3 H 1 1.80 . . 2 . . . . . . . . 4079 1 918 . 1 1 79 79 PRO HD2 H 1 3.43 . . 2 . . . . . . . . 4079 1 919 . 1 1 79 79 PRO HD3 H 1 3.34 . . 2 . . . . . . . . 4079 1 920 . 1 1 79 79 PRO CA C 13 60.79 . . 1 . . . . . . . . 4079 1 921 . 1 1 79 79 PRO CB C 13 30.72 . . 1 . . . . . . . . 4079 1 922 . 1 1 79 79 PRO CG C 13 26.96 . . 1 . . . . . . . . 4079 1 923 . 1 1 79 79 PRO CD C 13 50.59 . . 1 . . . . . . . . 4079 1 924 . 1 1 80 80 PRO HA H 1 4.25 . . 1 . . . . . . . . 4079 1 925 . 1 1 80 80 PRO HB2 H 1 2.14 . . 2 . . . . . . . . 4079 1 926 . 1 1 80 80 PRO HB3 H 1 1.73 . . 2 . . . . . . . . 4079 1 927 . 1 1 80 80 PRO HG2 H 1 1.87 . . 1 . . . . . . . . 4079 1 928 . 1 1 80 80 PRO HG3 H 1 1.87 . . 1 . . . . . . . . 4079 1 929 . 1 1 80 80 PRO HD2 H 1 3.72 . . 2 . . . . . . . . 4079 1 930 . 1 1 80 80 PRO HD3 H 1 3.48 . . 2 . . . . . . . . 4079 1 931 . 1 1 80 80 PRO CA C 13 62.41 . . 1 . . . . . . . . 4079 1 932 . 1 1 80 80 PRO CB C 13 31.83 . . 1 . . . . . . . . 4079 1 933 . 1 1 80 80 PRO CG C 13 27.24 . . 1 . . . . . . . . 4079 1 934 . 1 1 80 80 PRO CD C 13 50.50 . . 1 . . . . . . . . 4079 1 935 . 1 1 81 81 LYS H H 1 8.33 . . 1 . . . . . . . . 4079 1 936 . 1 1 81 81 LYS HA H 1 4.11 . . 1 . . . . . . . . 4079 1 937 . 1 1 81 81 LYS HB2 H 1 1.62 . . 1 . . . . . . . . 4079 1 938 . 1 1 81 81 LYS HB3 H 1 1.62 . . 1 . . . . . . . . 4079 1 939 . 1 1 81 81 LYS HG2 H 1 1.27 . . 1 . . . . . . . . 4079 1 940 . 1 1 81 81 LYS HG3 H 1 1.27 . . 1 . . . . . . . . 4079 1 941 . 1 1 81 81 LYS HD2 H 1 1.50 . . 1 . . . . . . . . 4079 1 942 . 1 1 81 81 LYS HD3 H 1 1.50 . . 1 . . . . . . . . 4079 1 943 . 1 1 81 81 LYS HE2 H 1 2.83 . . 1 . . . . . . . . 4079 1 944 . 1 1 81 81 LYS HE3 H 1 2.83 . . 1 . . . . . . . . 4079 1 945 . 1 1 81 81 LYS CA C 13 56.31 . . 1 . . . . . . . . 4079 1 946 . 1 1 81 81 LYS CB C 13 32.64 . . 1 . . . . . . . . 4079 1 947 . 1 1 81 81 LYS CG C 13 24.67 . . 1 . . . . . . . . 4079 1 948 . 1 1 81 81 LYS CD C 13 28.92 . . 1 . . . . . . . . 4079 1 949 . 1 1 81 81 LYS CE C 13 42.01 . . 1 . . . . . . . . 4079 1 950 . 1 1 81 81 LYS N N 15 120.23 . . 1 . . . . . . . . 4079 1 951 . 1 1 82 82 GLY H H 1 8.40 . . 1 . . . . . . . . 4079 1 952 . 1 1 82 82 GLY HA2 H 1 3.80 . . 1 . . . . . . . . 4079 1 953 . 1 1 82 82 GLY HA3 H 1 3.80 . . 1 . . . . . . . . 4079 1 954 . 1 1 82 82 GLY CA C 13 44.99 . . 1 . . . . . . . . 4079 1 955 . 1 1 82 82 GLY N N 15 109.29 . . 1 . . . . . . . . 4079 1 956 . 1 1 83 83 GLU H H 1 7.80 . . 1 . . . . . . . . 4079 1 957 . 1 1 83 83 GLU HA H 1 4.01 . . 1 . . . . . . . . 4079 1 958 . 1 1 83 83 GLU HB2 H 1 1.94 . . 2 . . . . . . . . 4079 1 959 . 1 1 83 83 GLU HB3 H 1 1.72 . . 2 . . . . . . . . 4079 1 960 . 1 1 83 83 GLU HG2 H 1 2.07 . . 1 . . . . . . . . 4079 1 961 . 1 1 83 83 GLU HG3 H 1 2.07 . . 1 . . . . . . . . 4079 1 962 . 1 1 83 83 GLU CA C 13 57.21 . . 1 . . . . . . . . 4079 1 963 . 1 1 83 83 GLU CB C 13 30.64 . . 1 . . . . . . . . 4079 1 964 . 1 1 83 83 GLU CG C 13 35.84 . . 1 . . . . . . . . 4079 1 965 . 1 1 83 83 GLU N N 15 123.97 . . 1 . . . . . . . . 4079 1 stop_ save_