data_25955 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25955 _Entry.Title ; Solution structure of reduced and zinc-bound RsrA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-01-15 _Entry.Accession_date 2016-01-15 _Entry.Last_release_date 2016-08-01 _Entry.Original_release_date 2016-08-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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.ORCID _Entry_author.Entry_ID 1 K. Zdanowski . . . . 25955 2 L. Pecqueur . . . . 25955 3 J. Werner . . . . 25955 4 Jennifer Potts . Robyn . . 25955 5 C. Kleanthous . . . . 25955 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25955 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . PottsGroup . 25955 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Streptomyces coelicolor' . 25955 TRANSCRIPTION . 25955 'anti-sigma factor' . 25955 'redox sensing' . 25955 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25955 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 289 25955 '15N chemical shifts' 93 25955 '1H chemical shifts' 598 25955 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-10-13 2016-01-15 update BMRB 'update entry citation' 25955 1 . . 2016-08-01 2016-01-15 original author 'original release' 25955 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25956 'oxidised RsrA and without zinc ion' 25955 PDB 5frf 'BMRB Entry Tracking System' 25955 PDB 5frh 'oxidised RsrA and without zinc ion' 25955 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25955 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27432510 _Citation.Full_citation . _Citation.Title ; The anti-sigma factor RsrA responds to oxidative stress by reburying its hydrophobic core ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 12194 _Citation.Page_last 12194 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Rajasekar . V. . . 25955 1 2 K. Zdanowski . . . . 25955 1 3 J. Yan . . . . 25955 1 4 J. Hopper . T.S. . . 25955 1 5 M. Francis . R. . . 25955 1 6 C. Seepersad . . . . 25955 1 7 C. Sharp . . . . 25955 1 8 L. Pecqueur . . . . 25955 1 9 J. Werner . . . . 25955 1 10 C. Robinson . V. . . 25955 1 11 S. Mohammed . . . . 25955 1 12 Jennifer Potts . Robyn . . 25955 1 13 C. Kleanthous . . . . 25955 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25955 _Assembly.ID 1 _Assembly.Name 'Solution structure of reduced and zinc-bound RsrA' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds no _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 11873.3244 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'ANTI-SIGMA FACTOR RSRA' 1 $ANTI-SIGMA_FACTOR_RSRA A . yes native no no . . . 25955 1 2 'ZINC ION' 2 $entity_ZN B . no native no no . . . 25955 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ANTI-SIGMA_FACTOR_RSRA _Entity.Sf_category entity _Entity.Sf_framecode ANTI-SIGMA_FACTOR_RSRA _Entity.Entry_ID 25955 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ANTI-SIGMA_FACTOR_RSRA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMSAGEPHETDCSEILDH LYEFLDKEMPDSDAVKFEHH FEESSPCLEKYGLEQAVKKL VKRAAGQDDVPGDLRAKVMG RLDLIRSGQSVPEHDVAAAP SSSAPQES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'C3A C31A C41S C61A C62A' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11807.9444 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes UNP Q9RL96 . Q9RL96 . . . ; Compared to the sequence corresponding to this sequence accession number there are three N-terminal non-native residues and five mutations (as stated above) in the submitted PDB files. ; . . . . . . . . . . 25955 1 2 yes UNP RSRA_STRCO . Q7AKG8 . . . . . . . . . . . . . . 25955 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 . 25955 1 2 . SER . 25955 1 3 . HIS . 25955 1 4 . MET . 25955 1 5 . SER . 25955 1 6 . ALA . 25955 1 7 . GLY . 25955 1 8 . GLU . 25955 1 9 . PRO . 25955 1 10 . HIS . 25955 1 11 . GLU . 25955 1 12 . THR . 25955 1 13 . ASP . 25955 1 14 . CYS . 25955 1 15 . SER . 25955 1 16 . GLU . 25955 1 17 . ILE . 25955 1 18 . LEU . 25955 1 19 . ASP . 25955 1 20 . HIS . 25955 1 21 . LEU . 25955 1 22 . TYR . 25955 1 23 . GLU . 25955 1 24 . PHE . 25955 1 25 . LEU . 25955 1 26 . ASP . 25955 1 27 . LYS . 25955 1 28 . GLU . 25955 1 29 . MET . 25955 1 30 . PRO . 25955 1 31 . ASP . 25955 1 32 . SER . 25955 1 33 . ASP . 25955 1 34 . ALA . 25955 1 35 . VAL . 25955 1 36 . LYS . 25955 1 37 . PHE . 25955 1 38 . GLU . 25955 1 39 . HIS . 25955 1 40 . HIS . 25955 1 41 . PHE . 25955 1 42 . GLU . 25955 1 43 . GLU . 25955 1 44 . SER . 25955 1 45 . SER . 25955 1 46 . PRO . 25955 1 47 . CYS . 25955 1 48 . LEU . 25955 1 49 . GLU . 25955 1 50 . LYS . 25955 1 51 . TYR . 25955 1 52 . GLY . 25955 1 53 . LEU . 25955 1 54 . GLU . 25955 1 55 . GLN . 25955 1 56 . ALA . 25955 1 57 . VAL . 25955 1 58 . LYS . 25955 1 59 . LYS . 25955 1 60 . LEU . 25955 1 61 . VAL . 25955 1 62 . LYS . 25955 1 63 . ARG . 25955 1 64 . ALA . 25955 1 65 . ALA . 25955 1 66 . GLY . 25955 1 67 . GLN . 25955 1 68 . ASP . 25955 1 69 . ASP . 25955 1 70 . VAL . 25955 1 71 . PRO . 25955 1 72 . GLY . 25955 1 73 . ASP . 25955 1 74 . LEU . 25955 1 75 . ARG . 25955 1 76 . ALA . 25955 1 77 . LYS . 25955 1 78 . VAL . 25955 1 79 . MET . 25955 1 80 . GLY . 25955 1 81 . ARG . 25955 1 82 . LEU . 25955 1 83 . ASP . 25955 1 84 . LEU . 25955 1 85 . ILE . 25955 1 86 . ARG . 25955 1 87 . SER . 25955 1 88 . GLY . 25955 1 89 . GLN . 25955 1 90 . SER . 25955 1 91 . VAL . 25955 1 92 . PRO . 25955 1 93 . GLU . 25955 1 94 . HIS . 25955 1 95 . ASP . 25955 1 96 . VAL . 25955 1 97 . ALA . 25955 1 98 . ALA . 25955 1 99 . ALA . 25955 1 100 . PRO . 25955 1 101 . SER . 25955 1 102 . SER . 25955 1 103 . SER . 25955 1 104 . ALA . 25955 1 105 . PRO . 25955 1 106 . GLN . 25955 1 107 . GLU . 25955 1 108 . SER . 25955 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 25955 1 . SER 2 2 25955 1 . HIS 3 3 25955 1 . MET 4 4 25955 1 . SER 5 5 25955 1 . ALA 6 6 25955 1 . GLY 7 7 25955 1 . GLU 8 8 25955 1 . PRO 9 9 25955 1 . HIS 10 10 25955 1 . GLU 11 11 25955 1 . THR 12 12 25955 1 . ASP 13 13 25955 1 . CYS 14 14 25955 1 . SER 15 15 25955 1 . GLU 16 16 25955 1 . ILE 17 17 25955 1 . LEU 18 18 25955 1 . ASP 19 19 25955 1 . HIS 20 20 25955 1 . LEU 21 21 25955 1 . TYR 22 22 25955 1 . GLU 23 23 25955 1 . PHE 24 24 25955 1 . LEU 25 25 25955 1 . ASP 26 26 25955 1 . LYS 27 27 25955 1 . GLU 28 28 25955 1 . MET 29 29 25955 1 . PRO 30 30 25955 1 . ASP 31 31 25955 1 . SER 32 32 25955 1 . ASP 33 33 25955 1 . ALA 34 34 25955 1 . VAL 35 35 25955 1 . LYS 36 36 25955 1 . PHE 37 37 25955 1 . GLU 38 38 25955 1 . HIS 39 39 25955 1 . HIS 40 40 25955 1 . PHE 41 41 25955 1 . GLU 42 42 25955 1 . GLU 43 43 25955 1 . SER 44 44 25955 1 . SER 45 45 25955 1 . PRO 46 46 25955 1 . CYS 47 47 25955 1 . LEU 48 48 25955 1 . GLU 49 49 25955 1 . LYS 50 50 25955 1 . TYR 51 51 25955 1 . GLY 52 52 25955 1 . LEU 53 53 25955 1 . GLU 54 54 25955 1 . GLN 55 55 25955 1 . ALA 56 56 25955 1 . VAL 57 57 25955 1 . LYS 58 58 25955 1 . LYS 59 59 25955 1 . LEU 60 60 25955 1 . VAL 61 61 25955 1 . LYS 62 62 25955 1 . ARG 63 63 25955 1 . ALA 64 64 25955 1 . ALA 65 65 25955 1 . GLY 66 66 25955 1 . GLN 67 67 25955 1 . ASP 68 68 25955 1 . ASP 69 69 25955 1 . VAL 70 70 25955 1 . PRO 71 71 25955 1 . GLY 72 72 25955 1 . ASP 73 73 25955 1 . LEU 74 74 25955 1 . ARG 75 75 25955 1 . ALA 76 76 25955 1 . LYS 77 77 25955 1 . VAL 78 78 25955 1 . MET 79 79 25955 1 . GLY 80 80 25955 1 . ARG 81 81 25955 1 . LEU 82 82 25955 1 . ASP 83 83 25955 1 . LEU 84 84 25955 1 . ILE 85 85 25955 1 . ARG 86 86 25955 1 . SER 87 87 25955 1 . GLY 88 88 25955 1 . GLN 89 89 25955 1 . SER 90 90 25955 1 . VAL 91 91 25955 1 . PRO 92 92 25955 1 . GLU 93 93 25955 1 . HIS 94 94 25955 1 . ASP 95 95 25955 1 . VAL 96 96 25955 1 . ALA 97 97 25955 1 . ALA 98 98 25955 1 . ALA 99 99 25955 1 . PRO 100 100 25955 1 . SER 101 101 25955 1 . SER 102 102 25955 1 . SER 103 103 25955 1 . ALA 104 104 25955 1 . PRO 105 105 25955 1 . GLN 106 106 25955 1 . GLU 107 107 25955 1 . SER 108 108 25955 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25955 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 25955 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 25955 2 ZN 'Three letter code' 25955 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 25955 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25955 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ANTI-SIGMA_FACTOR_RSRA . 1902 organism . 'Streptomyces coelicolor' 'Streptomyces coelicolor' . . Bacteria . Streptomyces coelicolor . . . . . . . . . . . . . 25955 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 25955 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ANTI-SIGMA_FACTOR_RSRA . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3) . . n/a . . n/a . . . 25955 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 25955 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 25955 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25955 ZN [Zn++] SMILES CACTVS 3.341 25955 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25955 ZN [Zn+2] SMILES ACDLabs 10.04 25955 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25955 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25955 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 25955 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25955 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25955 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25955 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 1-1.5mM _Sample.Aggregate_sample_number . _Sample.Solvent_system '5% D2O/(5% water' _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 'ANTI-SIGMA FACTOR RSRA' '[U-13C; U-15N]' . . 1 $ANTI-SIGMA_FACTOR_RSRA . . 1.25 1 1.5 mM . . . . 25955 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25955 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [7.1], temp [298], pressure [0.0], ionStrength [0.0]' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.0 . mM 25955 1 pH 7.100 . pH 25955 1 pressure 1 . atm 25955 1 temperature 298.000 . K 25955 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 25955 _Software.ID 1 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 25955 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25955 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25955 _Software.ID 2 _Software.Name CNS _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25955 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25955 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance-700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance-700 _NMR_spectrometer.Entry_ID 25955 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25955 _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 Bruker_Avance-700 Bruker Avance . 700 . . . 25955 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 25955 _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 NOESY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-700 . . . . . . . . . . . . . . . . 25955 1 2 'TOCSY (2D and 3D) HNCA' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-700 . . . . . . . . . . . . . . . . 25955 1 3 'CBCANH and CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-700 . . . . . . . . . . . . . . . . 25955 1 4 'HNCO and HN(CA)CO' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-700 . . . . . . . . . . . . . . . . 25955 1 5 HNCA no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-700 . . . . . . . . . . . . . . . . 25955 1 6 CBCANH no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-700 . . . . . . . . . . . . . . . . 25955 1 7 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-700 . . . . . . . . . . . . . . . . 25955 1 8 HNCO no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-700 . . . . . . . . . . . . . . . . 25955 1 9 HN(CA)CO no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-700 . . . . . . . . . . . . . . . . 25955 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25955 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.25144953 . . . . . 25955 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 1 . . . . . 25955 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . 25955 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25955 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/5frf/ebi/1144_rsra_red_shifts.str-renumbered_test_3.txt.csh' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 NOESY 1 $sample_1 solution 25955 1 2 'TOCSY (2D and 3D) HNCA' 1 $sample_1 solution 25955 1 3 'CBCANH and CBCA(CO)NH' 1 $sample_1 solution 25955 1 4 'HNCO and HN(CA)CO' 1 $sample_1 solution 25955 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CNS 1 $CNS 25955 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 4 4 MET C C 13 176.064 . . 1 . 1 . . 4 MET C . 25955 1 2 . 1 1 4 4 MET CA C 13 55.539 . . 1 . 2 . . 4 MET CA . 25955 1 3 . 1 1 4 4 MET CB C 13 32.713 . . 1 . 3 . . 4 MET CB . 25955 1 4 . 1 1 5 5 SER H H 1 8.358 0.005 . 1 . 7 . . 5 SER H . 25955 1 5 . 1 1 5 5 SER HA H 1 4.422 0.011 . 1 . 8 . . 5 SER HA . 25955 1 6 . 1 1 5 5 SER HB2 H 1 3.849 . . 1 . 9 . . 5 SER HB2 . 25955 1 7 . 1 1 5 5 SER HB3 H 1 3.849 . . 1 . 10 . . 5 SER HB3 . 25955 1 8 . 1 1 5 5 SER C C 13 174.197 . . 1 . 4 . . 5 SER C . 25955 1 9 . 1 1 5 5 SER CA C 13 58.284 . . 1 . 5 . . 5 SER CA . 25955 1 10 . 1 1 5 5 SER CB C 13 63.898 . . 1 . 6 . . 5 SER CB . 25955 1 11 . 1 1 5 5 SER N N 15 117.355 0.073 . 1 . 11 . . 5 SER N . 25955 1 12 . 1 1 6 6 ALA H H 1 8.421 0.007 . 1 . 15 . . 6 ALA H . 25955 1 13 . 1 1 6 6 ALA HA H 1 4.318 0.006 . 1 . 16 . . 6 ALA HA . 25955 1 14 . 1 1 6 6 ALA HB1 H 1 1.375 0.013 . 1 . 17 . . 6 ALA HB1 . 25955 1 15 . 1 1 6 6 ALA HB2 H 1 1.375 0.013 . 1 . 17 . . 6 ALA HB2 . 25955 1 16 . 1 1 6 6 ALA HB3 H 1 1.375 0.013 . 1 . 17 . . 6 ALA HB3 . 25955 1 17 . 1 1 6 6 ALA C C 13 177.945 0.001 . 1 . 12 . . 6 ALA C . 25955 1 18 . 1 1 6 6 ALA CA C 13 52.716 0.01 . 1 . 13 . . 6 ALA CA . 25955 1 19 . 1 1 6 6 ALA CB C 13 19.150 . . 1 . 14 . . 6 ALA CB . 25955 1 20 . 1 1 6 6 ALA N N 15 126.116 0.179 . 1 . 18 . . 6 ALA N . 25955 1 21 . 1 1 7 7 GLY H H 1 8.310 0.005 . 1 . 21 . . 7 GLY H . 25955 1 22 . 1 1 7 7 GLY HA2 H 1 3.909 0.009 . 2 . 22 . . 7 GLY HA2 . 25955 1 23 . 1 1 7 7 GLY HA3 H 1 3.910 0.009 . 2 . 23 . . 7 GLY HA3 . 25955 1 24 . 1 1 7 7 GLY C C 13 173.776 0.002 . 1 . 19 . . 7 GLY C . 25955 1 25 . 1 1 7 7 GLY CA C 13 45.225 0.226 . 1 . 20 . . 7 GLY CA . 25955 1 26 . 1 1 7 7 GLY N N 15 108.046 0.07 . 1 . 24 . . 7 GLY N . 25955 1 27 . 1 1 8 8 GLU H H 1 8.136 0.007 . 1 . 28 . . 8 GLU H . 25955 1 28 . 1 1 8 8 GLU HA H 1 4.544 0.006 . 1 . 29 . . 8 GLU HA . 25955 1 29 . 1 1 8 8 GLU HB2 H 1 1.800 0.004 . 2 . 30 . . 8 GLU HB2 . 25955 1 30 . 1 1 8 8 GLU HB3 H 1 1.987 0.006 . 2 . 31 . . 8 GLU HB3 . 25955 1 31 . 1 1 8 8 GLU HG2 H 1 2.226 0.004 . 1 . 32 . . 8 GLU HG2 . 25955 1 32 . 1 1 8 8 GLU HG3 H 1 2.226 0.004 . 1 . 33 . . 8 GLU HG3 . 25955 1 33 . 1 1 8 8 GLU C C 13 174.680 . . 1 . 25 . . 8 GLU C . 25955 1 34 . 1 1 8 8 GLU CA C 13 54.273 . . 1 . 26 . . 8 GLU CA . 25955 1 35 . 1 1 8 8 GLU CB C 13 29.569 0.188 . 1 . 27 . . 8 GLU CB . 25955 1 36 . 1 1 8 8 GLU N N 15 121.614 0.047 . 1 . 34 . . 8 GLU N . 25955 1 37 . 1 1 9 9 PRO HA H 1 4.332 . . 1 . 38 . . 9 PRO HA . 25955 1 38 . 1 1 9 9 PRO HD2 H 1 3.644 . . 1 . 39 . . 9 PRO HD2 . 25955 1 39 . 1 1 9 9 PRO C C 13 176.614 . . 1 . 35 . . 9 PRO C . 25955 1 40 . 1 1 9 9 PRO CA C 13 63.357 . . 1 . 36 . . 9 PRO CA . 25955 1 41 . 1 1 9 9 PRO CB C 13 31.929 . . 1 . 37 . . 9 PRO CB . 25955 1 42 . 1 1 10 10 HIS H H 1 8.339 . . 1 . 42 . . 10 HIS H . 25955 1 43 . 1 1 10 10 HIS HA H 1 4.602 0.007 . 1 . 43 . . 10 HIS HA . 25955 1 44 . 1 1 10 10 HIS HB2 H 1 3.061 0.017 . 2 . 44 . . 10 HIS HB2 . 25955 1 45 . 1 1 10 10 HIS HB3 H 1 3.078 0.011 . 2 . 45 . . 10 HIS HB3 . 25955 1 46 . 1 1 10 10 HIS HD2 H 1 7.037 0.002 . 1 . 46 . . 10 HIS HD2 . 25955 1 47 . 1 1 10 10 HIS HE1 H 1 6.796 . . 1 . 47 . . 10 HIS HE1 . 25955 1 48 . 1 1 10 10 HIS C C 13 174.799 0.015 . 1 . 40 . . 10 HIS C . 25955 1 49 . 1 1 10 10 HIS CA C 13 55.742 0.227 . 1 . 41 . . 10 HIS CA . 25955 1 50 . 1 1 10 10 HIS N N 15 118.843 0.103 . 1 . 48 . . 10 HIS N . 25955 1 51 . 1 1 11 11 GLU H H 1 8.363 0.022 . 1 . 52 . . 11 GLU H . 25955 1 52 . 1 1 11 11 GLU HA H 1 4.602 . . 1 . 53 . . 11 GLU HA . 25955 1 53 . 1 1 11 11 GLU C C 13 176.476 . . 1 . 49 . . 11 GLU C . 25955 1 54 . 1 1 11 11 GLU CA C 13 56.569 0.013 . 1 . 50 . . 11 GLU CA . 25955 1 55 . 1 1 11 11 GLU CB C 13 30.317 0.026 . 1 . 51 . . 11 GLU CB . 25955 1 56 . 1 1 11 11 GLU N N 15 122.149 0.093 . 1 . 54 . . 11 GLU N . 25955 1 57 . 1 1 12 12 THR H H 1 8.493 0.007 . 1 . 58 . . 12 THR H . 25955 1 58 . 1 1 12 12 THR HA H 1 4.338 0.004 . 1 . 59 . . 12 THR HA . 25955 1 59 . 1 1 12 12 THR HB H 1 4.002 0.003 . 1 . 60 . . 12 THR HB . 25955 1 60 . 1 1 12 12 THR HG21 H 1 0.937 0.014 . 1 . 61 . . 12 THR HG21 . 25955 1 61 . 1 1 12 12 THR HG22 H 1 0.937 0.014 . 1 . 61 . . 12 THR HG22 . 25955 1 62 . 1 1 12 12 THR HG23 H 1 0.937 0.014 . 1 . 61 . . 12 THR HG23 . 25955 1 63 . 1 1 12 12 THR C C 13 174.571 . . 1 . 55 . . 12 THR C . 25955 1 64 . 1 1 12 12 THR CA C 13 61.834 0.011 . 1 . 56 . . 12 THR CA . 25955 1 65 . 1 1 12 12 THR CB C 13 70.400 0.196 . 1 . 57 . . 12 THR CB . 25955 1 66 . 1 1 12 12 THR N N 15 115.958 0.063 . 1 . 62 . . 12 THR N . 25955 1 67 . 1 1 13 13 ASP H H 1 8.896 0.008 . 1 . 66 . . 13 ASP H . 25955 1 68 . 1 1 13 13 ASP HA H 1 4.906 0.003 . 1 . 67 . . 13 ASP HA . 25955 1 69 . 1 1 13 13 ASP HB2 H 1 2.743 0.007 . 2 . 68 . . 13 ASP HB2 . 25955 1 70 . 1 1 13 13 ASP HB3 H 1 2.914 0.006 . 2 . 69 . . 13 ASP HB3 . 25955 1 71 . 1 1 13 13 ASP C C 13 177.750 0.006 . 1 . 63 . . 13 ASP C . 25955 1 72 . 1 1 13 13 ASP CA C 13 54.448 0.016 . 1 . 64 . . 13 ASP CA . 25955 1 73 . 1 1 13 13 ASP CB C 13 42.033 0.093 . 1 . 65 . . 13 ASP CB . 25955 1 74 . 1 1 13 13 ASP N N 15 125.384 0.073 . 1 . 70 . . 13 ASP N . 25955 1 75 . 1 1 14 14 CYS H H 1 8.473 0.003 . 1 . 74 . . 14 CYS H . 25955 1 76 . 1 1 14 14 CYS HA H 1 4.019 0.006 . 1 . 75 . . 14 CYS HA . 25955 1 77 . 1 1 14 14 CYS HB2 H 1 2.767 0.008 . 2 . 76 . . 14 CYS HB2 . 25955 1 78 . 1 1 14 14 CYS HB3 H 1 3.179 0.003 . 2 . 77 . . 14 CYS HB3 . 25955 1 79 . 1 1 14 14 CYS C C 13 178.128 0.007 . 1 . 71 . . 14 CYS C . 25955 1 80 . 1 1 14 14 CYS CA C 13 63.710 0.04 . 1 . 72 . . 14 CYS CA . 25955 1 81 . 1 1 14 14 CYS CB C 13 29.624 0.189 . 1 . 73 . . 14 CYS CB . 25955 1 82 . 1 1 14 14 CYS N N 15 122.913 0.049 . 1 . 78 . . 14 CYS N . 25955 1 83 . 1 1 15 15 SER H H 1 8.622 0.004 . 1 . 82 . . 15 SER H . 25955 1 84 . 1 1 15 15 SER HA H 1 4.217 0.005 . 1 . 83 . . 15 SER HA . 25955 1 85 . 1 1 15 15 SER HB2 H 1 3.967 0.012 . 2 . 84 . . 15 SER HB2 . 25955 1 86 . 1 1 15 15 SER HB3 H 1 3.987 0.011 . 2 . 85 . . 15 SER HB3 . 25955 1 87 . 1 1 15 15 SER C C 13 175.928 . . 1 . 79 . . 15 SER C . 25955 1 88 . 1 1 15 15 SER CA C 13 61.345 0.089 . 1 . 80 . . 15 SER CA . 25955 1 89 . 1 1 15 15 SER CB C 13 62.681 0.062 . 1 . 81 . . 15 SER CB . 25955 1 90 . 1 1 15 15 SER N N 15 114.532 0.086 . 1 . 86 . . 15 SER N . 25955 1 91 . 1 1 16 16 GLU H H 1 7.787 0.008 . 1 . 90 . . 16 GLU H . 25955 1 92 . 1 1 16 16 GLU HA H 1 4.602 0.014 . 1 . 91 . . 16 GLU HA . 25955 1 93 . 1 1 16 16 GLU HB2 H 1 1.859 0.014 . 2 . 92 . . 16 GLU HB2 . 25955 1 94 . 1 1 16 16 GLU HB3 H 1 2.016 0.005 . 2 . 93 . . 16 GLU HB3 . 25955 1 95 . 1 1 16 16 GLU HG2 H 1 2.220 . . 2 . 94 . . 16 GLU HG2 . 25955 1 96 . 1 1 16 16 GLU HG3 H 1 2.221 0.002 . 2 . 95 . . 16 GLU HG3 . 25955 1 97 . 1 1 16 16 GLU C C 13 177.701 0.001 . 1 . 87 . . 16 GLU C . 25955 1 98 . 1 1 16 16 GLU CA C 13 56.031 0.1 . 1 . 88 . . 16 GLU CA . 25955 1 99 . 1 1 16 16 GLU CB C 13 30.574 0.012 . 1 . 89 . . 16 GLU CB . 25955 1 100 . 1 1 16 16 GLU N N 15 120.144 0.105 . 1 . 96 . . 16 GLU N . 25955 1 101 . 1 1 17 17 ILE H H 1 7.347 0.006 . 1 . 101 . . 17 ILE H . 25955 1 102 . 1 1 17 17 ILE HA H 1 3.908 0.006 . 1 . 102 . . 17 ILE HA . 25955 1 103 . 1 1 17 17 ILE HB H 1 1.662 0.008 . 1 . 103 . . 17 ILE HB . 25955 1 104 . 1 1 17 17 ILE HG12 H 1 1.084 0.006 . 2 . 105 . . 17 ILE HG12 . 25955 1 105 . 1 1 17 17 ILE HG13 H 1 1.086 0.006 . 2 . 106 . . 17 ILE HG13 . 25955 1 106 . 1 1 17 17 ILE HG21 H 1 0.938 0.004 . 1 . 107 . . 17 ILE HG21 . 25955 1 107 . 1 1 17 17 ILE HG22 H 1 0.938 0.004 . 1 . 107 . . 17 ILE HG22 . 25955 1 108 . 1 1 17 17 ILE HG23 H 1 0.938 0.004 . 1 . 107 . . 17 ILE HG23 . 25955 1 109 . 1 1 17 17 ILE HD11 H 1 0.265 0.002 . 1 . 104 . . 17 ILE HD11 . 25955 1 110 . 1 1 17 17 ILE HD12 H 1 0.265 0.002 . 1 . 104 . . 17 ILE HD12 . 25955 1 111 . 1 1 17 17 ILE HD13 H 1 0.265 0.002 . 1 . 104 . . 17 ILE HD13 . 25955 1 112 . 1 1 17 17 ILE C C 13 176.050 . . 1 . 97 . . 17 ILE C . 25955 1 113 . 1 1 17 17 ILE CA C 13 62.923 0.137 . 1 . 98 . . 17 ILE CA . 25955 1 114 . 1 1 17 17 ILE CB C 13 38.431 0.061 . 1 . 99 . . 17 ILE CB . 25955 1 115 . 1 1 17 17 ILE CG1 C 13 28.762 0.05 . 1 . 100 . . 17 ILE CG1 . 25955 1 116 . 1 1 17 17 ILE N N 15 120.313 0.06 . 1 . 108 . . 17 ILE N . 25955 1 117 . 1 1 18 18 LEU H H 1 8.025 0.008 . 1 . 112 . . 18 LEU H . 25955 1 118 . 1 1 18 18 LEU HA H 1 3.900 0.003 . 1 . 113 . . 18 LEU HA . 25955 1 119 . 1 1 18 18 LEU HB2 H 1 1.459 0.017 . 2 . 114 . . 18 LEU HB2 . 25955 1 120 . 1 1 18 18 LEU HB3 H 1 1.779 0.009 . 2 . 115 . . 18 LEU HB3 . 25955 1 121 . 1 1 18 18 LEU HG H 1 1.149 0.008 . 1 . 118 . . 18 LEU HG . 25955 1 122 . 1 1 18 18 LEU HD11 H 1 0.278 0.015 . 2 . 116 . . 18 LEU HD11 . 25955 1 123 . 1 1 18 18 LEU HD12 H 1 0.278 0.015 . 2 . 116 . . 18 LEU HD12 . 25955 1 124 . 1 1 18 18 LEU HD13 H 1 0.278 0.015 . 2 . 116 . . 18 LEU HD13 . 25955 1 125 . 1 1 18 18 LEU HD21 H 1 0.370 0.008 . 2 . 117 . . 18 LEU HD21 . 25955 1 126 . 1 1 18 18 LEU HD22 H 1 0.370 0.008 . 2 . 117 . . 18 LEU HD22 . 25955 1 127 . 1 1 18 18 LEU HD23 H 1 0.370 0.008 . 2 . 117 . . 18 LEU HD23 . 25955 1 128 . 1 1 18 18 LEU C C 13 179.492 . . 1 . 109 . . 18 LEU C . 25955 1 129 . 1 1 18 18 LEU CA C 13 58.090 0.116 . 1 . 110 . . 18 LEU CA . 25955 1 130 . 1 1 18 18 LEU CB C 13 40.121 0.106 . 1 . 111 . . 18 LEU CB . 25955 1 131 . 1 1 18 18 LEU N N 15 120.240 0.032 . 1 . 119 . . 18 LEU N . 25955 1 132 . 1 1 19 19 ASP H H 1 7.549 0.007 . 1 . 123 . . 19 ASP H . 25955 1 133 . 1 1 19 19 ASP HA H 1 4.424 0.007 . 1 . 124 . . 19 ASP HA . 25955 1 134 . 1 1 19 19 ASP HB2 H 1 2.675 0.005 . 2 . 125 . . 19 ASP HB2 . 25955 1 135 . 1 1 19 19 ASP HB3 H 1 2.676 0.004 . 2 . 126 . . 19 ASP HB3 . 25955 1 136 . 1 1 19 19 ASP C C 13 179.166 . . 1 . 120 . . 19 ASP C . 25955 1 137 . 1 1 19 19 ASP CA C 13 57.452 0.152 . 1 . 121 . . 19 ASP CA . 25955 1 138 . 1 1 19 19 ASP CB C 13 40.067 0.084 . 1 . 122 . . 19 ASP CB . 25955 1 139 . 1 1 19 19 ASP N N 15 119.922 0.061 . 1 . 127 . . 19 ASP N . 25955 1 140 . 1 1 20 20 HIS H H 1 8.008 0.023 . 1 . 131 . . 20 HIS H . 25955 1 141 . 1 1 20 20 HIS HA H 1 4.567 0.022 . 1 . 132 . . 20 HIS HA . 25955 1 142 . 1 1 20 20 HIS HB2 H 1 3.093 0.008 . 2 . 133 . . 20 HIS HB2 . 25955 1 143 . 1 1 20 20 HIS HB3 H 1 3.178 0.002 . 2 . 134 . . 20 HIS HB3 . 25955 1 144 . 1 1 20 20 HIS HD1 H 1 6.996 0.001 . 1 . 135 . . 20 HIS HD1 . 25955 1 145 . 1 1 20 20 HIS HD2 H 1 6.997 . . 1 . 136 . . 20 HIS HD2 . 25955 1 146 . 1 1 20 20 HIS C C 13 179.340 . . 1 . 128 . . 20 HIS C . 25955 1 147 . 1 1 20 20 HIS CA C 13 58.845 0.014 . 1 . 129 . . 20 HIS CA . 25955 1 148 . 1 1 20 20 HIS CB C 13 30.675 0.086 . 1 . 130 . . 20 HIS CB . 25955 1 149 . 1 1 20 20 HIS N N 15 118.959 0.095 . 1 . 137 . . 20 HIS N . 25955 1 150 . 1 1 21 21 LEU H H 1 9.061 0.006 . 1 . 142 . . 21 LEU H . 25955 1 151 . 1 1 21 21 LEU HA H 1 4.115 0.005 . 1 . 143 . . 21 LEU HA . 25955 1 152 . 1 1 21 21 LEU HB2 H 1 1.526 0.008 . 2 . 144 . . 21 LEU HB2 . 25955 1 153 . 1 1 21 21 LEU HB3 H 1 1.762 0.015 . 2 . 145 . . 21 LEU HB3 . 25955 1 154 . 1 1 21 21 LEU HG H 1 1.467 0.02 . 1 . 148 . . 21 LEU HG . 25955 1 155 . 1 1 21 21 LEU HD11 H 1 0.502 0.007 . 2 . 146 . . 21 LEU HD11 . 25955 1 156 . 1 1 21 21 LEU HD12 H 1 0.502 0.007 . 2 . 146 . . 21 LEU HD12 . 25955 1 157 . 1 1 21 21 LEU HD13 H 1 0.502 0.007 . 2 . 146 . . 21 LEU HD13 . 25955 1 158 . 1 1 21 21 LEU HD21 H 1 0.811 0.005 . 2 . 147 . . 21 LEU HD21 . 25955 1 159 . 1 1 21 21 LEU HD22 H 1 0.811 0.005 . 2 . 147 . . 21 LEU HD22 . 25955 1 160 . 1 1 21 21 LEU HD23 H 1 0.811 0.005 . 2 . 147 . . 21 LEU HD23 . 25955 1 161 . 1 1 21 21 LEU C C 13 177.196 0.003 . 1 . 138 . . 21 LEU C . 25955 1 162 . 1 1 21 21 LEU CA C 13 57.841 0.098 . 1 . 139 . . 21 LEU CA . 25955 1 163 . 1 1 21 21 LEU CB C 13 41.240 0.04 . 1 . 140 . . 21 LEU CB . 25955 1 164 . 1 1 21 21 LEU CG C 13 31.845 0.021 . 1 . 141 . . 21 LEU CG . 25955 1 165 . 1 1 21 21 LEU N N 15 122.465 0.095 . 1 . 149 . . 21 LEU N . 25955 1 166 . 1 1 22 22 TYR H H 1 8.253 0.005 . 1 . 153 . . 22 TYR H . 25955 1 167 . 1 1 22 22 TYR HA H 1 3.674 0.003 . 1 . 154 . . 22 TYR HA . 25955 1 168 . 1 1 22 22 TYR HB2 H 1 3.055 0.003 . 2 . 155 . . 22 TYR HB2 . 25955 1 169 . 1 1 22 22 TYR HB3 H 1 3.223 0.004 . 2 . 156 . . 22 TYR HB3 . 25955 1 170 . 1 1 22 22 TYR HD1 H 1 6.968 0.002 . 1 . 157 . . 22 TYR HD1 . 25955 1 171 . 1 1 22 22 TYR HD2 H 1 6.968 0.002 . 1 . 158 . . 22 TYR HD2 . 25955 1 172 . 1 1 22 22 TYR HE1 H 1 6.773 0.007 . 1 . 159 . . 22 TYR HE1 . 25955 1 173 . 1 1 22 22 TYR HE2 H 1 6.773 0.007 . 1 . 160 . . 22 TYR HE2 . 25955 1 174 . 1 1 22 22 TYR C C 13 177.124 . . 1 . 150 . . 22 TYR C . 25955 1 175 . 1 1 22 22 TYR CA C 13 63.286 0.069 . 1 . 151 . . 22 TYR CA . 25955 1 176 . 1 1 22 22 TYR CB C 13 38.476 0.081 . 1 . 152 . . 22 TYR CB . 25955 1 177 . 1 1 22 22 TYR N N 15 119.831 0.079 . 1 . 161 . . 22 TYR N . 25955 1 178 . 1 1 23 23 GLU H H 1 7.857 0.017 . 1 . 165 . . 23 GLU H . 25955 1 179 . 1 1 23 23 GLU HA H 1 4.080 0.011 . 1 . 166 . . 23 GLU HA . 25955 1 180 . 1 1 23 23 GLU HB2 H 1 2.156 0.011 . 2 . 167 . . 23 GLU HB2 . 25955 1 181 . 1 1 23 23 GLU HB3 H 1 2.197 0.012 . 2 . 168 . . 23 GLU HB3 . 25955 1 182 . 1 1 23 23 GLU HG2 H 1 2.430 0.011 . 2 . 169 . . 23 GLU HG2 . 25955 1 183 . 1 1 23 23 GLU HG3 H 1 2.438 0.011 . 2 . 170 . . 23 GLU HG3 . 25955 1 184 . 1 1 23 23 GLU C C 13 177.594 0.001 . 1 . 162 . . 23 GLU C . 25955 1 185 . 1 1 23 23 GLU CA C 13 59.460 0.158 . 1 . 163 . . 23 GLU CA . 25955 1 186 . 1 1 23 23 GLU CB C 13 29.855 . . 1 . 164 . . 23 GLU CB . 25955 1 187 . 1 1 23 23 GLU N N 15 117.283 0.053 . 1 . 171 . . 23 GLU N . 25955 1 188 . 1 1 24 24 PHE H H 1 8.076 0.009 . 1 . 175 . . 24 PHE H . 25955 1 189 . 1 1 24 24 PHE HA H 1 4.374 0.006 . 1 . 176 . . 24 PHE HA . 25955 1 190 . 1 1 24 24 PHE HB2 H 1 3.362 0.013 . 2 . 177 . . 24 PHE HB2 . 25955 1 191 . 1 1 24 24 PHE HB3 H 1 3.512 . . 2 . 178 . . 24 PHE HB3 . 25955 1 192 . 1 1 24 24 PHE HD1 H 1 7.151 0.003 . 1 . 179 . . 24 PHE HD1 . 25955 1 193 . 1 1 24 24 PHE HD2 H 1 7.151 0.003 . 1 . 180 . . 24 PHE HD2 . 25955 1 194 . 1 1 24 24 PHE HE1 H 1 7.221 0.013 . 1 . 181 . . 24 PHE HE1 . 25955 1 195 . 1 1 24 24 PHE HE2 H 1 7.221 0.013 . 1 . 182 . . 24 PHE HE2 . 25955 1 196 . 1 1 24 24 PHE HZ H 1 7.244 0.025 . 1 . 183 . . 24 PHE HZ . 25955 1 197 . 1 1 24 24 PHE C C 13 177.289 . . 1 . 172 . . 24 PHE C . 25955 1 198 . 1 1 24 24 PHE CA C 13 61.161 0.278 . 1 . 173 . . 24 PHE CA . 25955 1 199 . 1 1 24 24 PHE CB C 13 40.116 0.064 . 1 . 174 . . 24 PHE CB . 25955 1 200 . 1 1 24 24 PHE N N 15 119.069 0.053 . 1 . 184 . . 24 PHE N . 25955 1 201 . 1 1 25 25 LEU H H 1 8.053 0.007 . 1 . 188 . . 25 LEU H . 25955 1 202 . 1 1 25 25 LEU HA H 1 3.891 0.004 . 1 . 189 . . 25 LEU HA . 25955 1 203 . 1 1 25 25 LEU HB2 H 1 1.770 0.015 . 2 . 190 . . 25 LEU HB2 . 25955 1 204 . 1 1 25 25 LEU HB3 H 1 2.043 0.014 . 2 . 191 . . 25 LEU HB3 . 25955 1 205 . 1 1 25 25 LEU HG H 1 1.302 0.013 . 1 . 194 . . 25 LEU HG . 25955 1 206 . 1 1 25 25 LEU HD11 H 1 0.756 0.002 . 2 . 192 . . 25 LEU HD11 . 25955 1 207 . 1 1 25 25 LEU HD12 H 1 0.756 0.002 . 2 . 192 . . 25 LEU HD12 . 25955 1 208 . 1 1 25 25 LEU HD13 H 1 0.756 0.002 . 2 . 192 . . 25 LEU HD13 . 25955 1 209 . 1 1 25 25 LEU HD21 H 1 0.842 0.006 . 2 . 193 . . 25 LEU HD21 . 25955 1 210 . 1 1 25 25 LEU HD22 H 1 0.842 0.006 . 2 . 193 . . 25 LEU HD22 . 25955 1 211 . 1 1 25 25 LEU HD23 H 1 0.842 0.006 . 2 . 193 . . 25 LEU HD23 . 25955 1 212 . 1 1 25 25 LEU C C 13 180.133 0.002 . 1 . 185 . . 25 LEU C . 25955 1 213 . 1 1 25 25 LEU CA C 13 56.947 0.086 . 1 . 186 . . 25 LEU CA . 25955 1 214 . 1 1 25 25 LEU CB C 13 41.592 0.221 . 1 . 187 . . 25 LEU CB . 25955 1 215 . 1 1 25 25 LEU N N 15 116.993 0.066 . 1 . 195 . . 25 LEU N . 25955 1 216 . 1 1 26 26 ASP H H 1 9.007 0.021 . 1 . 199 . . 26 ASP H . 25955 1 217 . 1 1 26 26 ASP HA H 1 4.135 0.006 . 1 . 200 . . 26 ASP HA . 25955 1 218 . 1 1 26 26 ASP HB2 H 1 2.368 0.008 . 2 . 201 . . 26 ASP HB2 . 25955 1 219 . 1 1 26 26 ASP HB3 H 1 2.496 0.005 . 2 . 202 . . 26 ASP HB3 . 25955 1 220 . 1 1 26 26 ASP C C 13 177.287 . . 1 . 196 . . 26 ASP C . 25955 1 221 . 1 1 26 26 ASP CA C 13 57.391 0.092 . 1 . 197 . . 26 ASP CA . 25955 1 222 . 1 1 26 26 ASP CB C 13 42.652 0.018 . 1 . 198 . . 26 ASP CB . 25955 1 223 . 1 1 26 26 ASP N N 15 122.917 0.096 . 1 . 203 . . 26 ASP N . 25955 1 224 . 1 1 27 27 LYS H H 1 7.749 0.01 . 1 . 207 . . 27 LYS H . 25955 1 225 . 1 1 27 27 LYS HA H 1 4.227 0.004 . 1 . 208 . . 27 LYS HA . 25955 1 226 . 1 1 27 27 LYS HB2 H 1 1.711 0.003 . 2 . 209 . . 27 LYS HB2 . 25955 1 227 . 1 1 27 27 LYS HB3 H 1 1.984 0.013 . 2 . 210 . . 27 LYS HB3 . 25955 1 228 . 1 1 27 27 LYS HG2 H 1 1.605 0.004 . 2 . 212 . . 27 LYS HG2 . 25955 1 229 . 1 1 27 27 LYS HG3 H 1 1.603 0.004 . 2 . 213 . . 27 LYS HG3 . 25955 1 230 . 1 1 27 27 LYS HD2 H 1 1.466 0.002 . 1 . 211 . . 27 LYS HD2 . 25955 1 231 . 1 1 27 27 LYS C C 13 175.221 0.003 . 1 . 204 . . 27 LYS C . 25955 1 232 . 1 1 27 27 LYS CA C 13 55.429 0.102 . 1 . 205 . . 27 LYS CA . 25955 1 233 . 1 1 27 27 LYS CB C 13 31.765 0.012 . 1 . 206 . . 27 LYS CB . 25955 1 234 . 1 1 27 27 LYS N N 15 114.128 0.049 . 1 . 214 . . 27 LYS N . 25955 1 235 . 1 1 28 28 GLU H H 1 7.627 0.006 . 1 . 217 . . 28 GLU H . 25955 1 236 . 1 1 28 28 GLU HA H 1 3.646 0.009 . 1 . 218 . . 28 GLU HA . 25955 1 237 . 1 1 28 28 GLU HB2 H 1 2.006 0.012 . 2 . 219 . . 28 GLU HB2 . 25955 1 238 . 1 1 28 28 GLU HB3 H 1 2.008 0.013 . 2 . 220 . . 28 GLU HB3 . 25955 1 239 . 1 1 28 28 GLU C C 13 175.515 . . 1 . 215 . . 28 GLU C . 25955 1 240 . 1 1 28 28 GLU CA C 13 57.643 0.091 . 1 . 216 . . 28 GLU CA . 25955 1 241 . 1 1 28 28 GLU N N 15 115.083 0.106 . 1 . 221 . . 28 GLU N . 25955 1 242 . 1 1 29 29 MET H H 1 8.399 0.012 . 1 . 222 . . 29 MET H . 25955 1 243 . 1 1 29 29 MET N N 15 121.614 0.091 . 1 . 223 . . 29 MET N . 25955 1 244 . 1 1 30 30 PRO HA H 1 4.416 0.003 . 1 . 227 . . 30 PRO HA . 25955 1 245 . 1 1 30 30 PRO HB2 H 1 2.047 . . 2 . 228 . . 30 PRO HB2 . 25955 1 246 . 1 1 30 30 PRO HB3 H 1 2.298 0.004 . 2 . 229 . . 30 PRO HB3 . 25955 1 247 . 1 1 30 30 PRO HD2 H 1 3.829 . . 2 . 230 . . 30 PRO HD2 . 25955 1 248 . 1 1 30 30 PRO HD3 H 1 3.839 . . 2 . 231 . . 30 PRO HD3 . 25955 1 249 . 1 1 30 30 PRO C C 13 178.117 . . 1 . 224 . . 30 PRO C . 25955 1 250 . 1 1 30 30 PRO CA C 13 63.076 . . 1 . 225 . . 30 PRO CA . 25955 1 251 . 1 1 30 30 PRO CB C 13 32.015 . . 1 . 226 . . 30 PRO CB . 25955 1 252 . 1 1 31 31 ASP H H 1 8.648 0.003 . 1 . 235 . . 31 ASP H . 25955 1 253 . 1 1 31 31 ASP HA H 1 4.451 0.02 . 1 . 236 . . 31 ASP HA . 25955 1 254 . 1 1 31 31 ASP HB2 H 1 2.740 0.009 . 2 . 237 . . 31 ASP HB2 . 25955 1 255 . 1 1 31 31 ASP HB3 H 1 2.741 0.009 . 2 . 238 . . 31 ASP HB3 . 25955 1 256 . 1 1 31 31 ASP C C 13 178.730 0.003 . 1 . 232 . . 31 ASP C . 25955 1 257 . 1 1 31 31 ASP CA C 13 57.438 0.167 . 1 . 233 . . 31 ASP CA . 25955 1 258 . 1 1 31 31 ASP CB C 13 40.712 0.041 . 1 . 234 . . 31 ASP CB . 25955 1 259 . 1 1 31 31 ASP N N 15 122.579 0.071 . 1 . 239 . . 31 ASP N . 25955 1 260 . 1 1 32 32 SER H H 1 8.434 0.004 . 1 . 242 . . 32 SER H . 25955 1 261 . 1 1 32 32 SER HA H 1 4.223 0.011 . 1 . 243 . . 32 SER HA . 25955 1 262 . 1 1 32 32 SER HB2 H 1 3.909 0.005 . 2 . 244 . . 32 SER HB2 . 25955 1 263 . 1 1 32 32 SER HB3 H 1 4.001 0.004 . 2 . 245 . . 32 SER HB3 . 25955 1 264 . 1 1 32 32 SER CA C 13 60.281 0.232 . 1 . 240 . . 32 SER CA . 25955 1 265 . 1 1 32 32 SER CB C 13 62.476 . . 1 . 241 . . 32 SER CB . 25955 1 266 . 1 1 32 32 SER N N 15 113.260 0.046 . 1 . 246 . . 32 SER N . 25955 1 267 . 1 1 33 33 ASP H H 1 7.950 0.006 . 1 . 250 . . 33 ASP H . 25955 1 268 . 1 1 33 33 ASP HA H 1 4.799 0.01 . 1 . 251 . . 33 ASP HA . 25955 1 269 . 1 1 33 33 ASP HB2 H 1 2.905 0.01 . 2 . 252 . . 33 ASP HB2 . 25955 1 270 . 1 1 33 33 ASP HB3 H 1 2.913 0.012 . 2 . 253 . . 33 ASP HB3 . 25955 1 271 . 1 1 33 33 ASP C C 13 176.717 . . 1 . 247 . . 33 ASP C . 25955 1 272 . 1 1 33 33 ASP CA C 13 55.321 0.035 . 1 . 248 . . 33 ASP CA . 25955 1 273 . 1 1 33 33 ASP CB C 13 42.065 0.09 . 1 . 249 . . 33 ASP CB . 25955 1 274 . 1 1 33 33 ASP N N 15 120.885 0.043 . 1 . 254 . . 33 ASP N . 25955 1 275 . 1 1 34 34 ALA H H 1 7.936 0.003 . 1 . 258 . . 34 ALA H . 25955 1 276 . 1 1 34 34 ALA HA H 1 3.821 0.012 . 1 . 259 . . 34 ALA HA . 25955 1 277 . 1 1 34 34 ALA HB1 H 1 1.586 0.007 . 1 . 260 . . 34 ALA HB1 . 25955 1 278 . 1 1 34 34 ALA HB2 H 1 1.586 0.007 . 1 . 260 . . 34 ALA HB2 . 25955 1 279 . 1 1 34 34 ALA HB3 H 1 1.586 0.007 . 1 . 260 . . 34 ALA HB3 . 25955 1 280 . 1 1 34 34 ALA C C 13 178.800 0.006 . 1 . 255 . . 34 ALA C . 25955 1 281 . 1 1 34 34 ALA CA C 13 54.382 0.089 . 1 . 256 . . 34 ALA CA . 25955 1 282 . 1 1 34 34 ALA CB C 13 18.814 0.028 . 1 . 257 . . 34 ALA CB . 25955 1 283 . 1 1 34 34 ALA N N 15 122.428 0.057 . 1 . 261 . . 34 ALA N . 25955 1 284 . 1 1 35 35 VAL H H 1 7.389 0.009 . 1 . 265 . . 35 VAL H . 25955 1 285 . 1 1 35 35 VAL HA H 1 3.899 0.002 . 1 . 266 . . 35 VAL HA . 25955 1 286 . 1 1 35 35 VAL HB H 1 2.131 0.007 . 1 . 267 . . 35 VAL HB . 25955 1 287 . 1 1 35 35 VAL HG11 H 1 0.925 0.006 . 2 . 268 . . 35 VAL HG11 . 25955 1 288 . 1 1 35 35 VAL HG12 H 1 0.925 0.006 . 2 . 268 . . 35 VAL HG12 . 25955 1 289 . 1 1 35 35 VAL HG13 H 1 0.925 0.006 . 2 . 268 . . 35 VAL HG13 . 25955 1 290 . 1 1 35 35 VAL HG21 H 1 0.986 0.011 . 2 . 269 . . 35 VAL HG21 . 25955 1 291 . 1 1 35 35 VAL HG22 H 1 0.986 0.011 . 2 . 269 . . 35 VAL HG22 . 25955 1 292 . 1 1 35 35 VAL HG23 H 1 0.986 0.011 . 2 . 269 . . 35 VAL HG23 . 25955 1 293 . 1 1 35 35 VAL C C 13 177.324 0.003 . 1 . 262 . . 35 VAL C . 25955 1 294 . 1 1 35 35 VAL CA C 13 64.416 0.121 . 1 . 263 . . 35 VAL CA . 25955 1 295 . 1 1 35 35 VAL CB C 13 31.380 . . 1 . 264 . . 35 VAL CB . 25955 1 296 . 1 1 35 35 VAL N N 15 115.387 0.061 . 1 . 270 . . 35 VAL N . 25955 1 297 . 1 1 36 36 LYS H H 1 7.424 0.005 . 1 . 274 . . 36 LYS H . 25955 1 298 . 1 1 36 36 LYS HA H 1 4.023 0.01 . 1 . 275 . . 36 LYS HA . 25955 1 299 . 1 1 36 36 LYS HB2 H 1 1.388 0.014 . 2 . 276 . . 36 LYS HB2 . 25955 1 300 . 1 1 36 36 LYS HB3 H 1 1.394 0.01 . 2 . 277 . . 36 LYS HB3 . 25955 1 301 . 1 1 36 36 LYS C C 13 177.010 0.002 . 1 . 271 . . 36 LYS C . 25955 1 302 . 1 1 36 36 LYS CA C 13 58.135 0.127 . 1 . 272 . . 36 LYS CA . 25955 1 303 . 1 1 36 36 LYS CB C 13 31.468 0.037 . 1 . 273 . . 36 LYS CB . 25955 1 304 . 1 1 36 36 LYS N N 15 119.112 0.056 . 1 . 278 . . 36 LYS N . 25955 1 305 . 1 1 37 37 PHE H H 1 7.324 0.006 . 1 . 282 . . 37 PHE H . 25955 1 306 . 1 1 37 37 PHE HA H 1 4.201 0.008 . 1 . 283 . . 37 PHE HA . 25955 1 307 . 1 1 37 37 PHE HB2 H 1 2.590 0.004 . 2 . 284 . . 37 PHE HB2 . 25955 1 308 . 1 1 37 37 PHE HB3 H 1 2.785 0.011 . 2 . 285 . . 37 PHE HB3 . 25955 1 309 . 1 1 37 37 PHE HD1 H 1 6.834 0.003 . 1 . 286 . . 37 PHE HD1 . 25955 1 310 . 1 1 37 37 PHE HD2 H 1 6.834 0.003 . 1 . 287 . . 37 PHE HD2 . 25955 1 311 . 1 1 37 37 PHE HE1 H 1 6.594 0.001 . 1 . 288 . . 37 PHE HE1 . 25955 1 312 . 1 1 37 37 PHE HE2 H 1 6.594 0.001 . 1 . 289 . . 37 PHE HE2 . 25955 1 313 . 1 1 37 37 PHE HZ H 1 6.822 0.003 . 1 . 290 . . 37 PHE HZ . 25955 1 314 . 1 1 37 37 PHE C C 13 176.570 0.005 . 1 . 279 . . 37 PHE C . 25955 1 315 . 1 1 37 37 PHE CA C 13 59.532 0.023 . 1 . 280 . . 37 PHE CA . 25955 1 316 . 1 1 37 37 PHE CB C 13 39.510 0.034 . 1 . 281 . . 37 PHE CB . 25955 1 317 . 1 1 37 37 PHE N N 15 114.535 0.049 . 1 . 291 . . 37 PHE N . 25955 1 318 . 1 1 38 38 GLU H H 1 7.547 0.003 . 1 . 295 . . 38 GLU H . 25955 1 319 . 1 1 38 38 GLU HA H 1 3.708 0.005 . 1 . 296 . . 38 GLU HA . 25955 1 320 . 1 1 38 38 GLU HB2 H 1 2.084 0.001 . 2 . 297 . . 38 GLU HB2 . 25955 1 321 . 1 1 38 38 GLU HB3 H 1 2.100 0.011 . 2 . 298 . . 38 GLU HB3 . 25955 1 322 . 1 1 38 38 GLU HG2 H 1 2.259 0.003 . 2 . 299 . . 38 GLU HG2 . 25955 1 323 . 1 1 38 38 GLU HG3 H 1 2.362 0.006 . 2 . 300 . . 38 GLU HG3 . 25955 1 324 . 1 1 38 38 GLU C C 13 178.890 . . 1 . 292 . . 38 GLU C . 25955 1 325 . 1 1 38 38 GLU CA C 13 60.119 0.066 . 1 . 293 . . 38 GLU CA . 25955 1 326 . 1 1 38 38 GLU CB C 13 29.493 . . 1 . 294 . . 38 GLU CB . 25955 1 327 . 1 1 38 38 GLU N N 15 118.053 0.042 . 1 . 301 . . 38 GLU N . 25955 1 328 . 1 1 39 39 HIS H H 1 7.959 0.006 . 1 . 304 . . 39 HIS H . 25955 1 329 . 1 1 39 39 HIS HB2 H 1 3.052 . . 2 . 305 . . 39 HIS HB2 . 25955 1 330 . 1 1 39 39 HIS HB3 H 1 3.106 . . 2 . 306 . . 39 HIS HB3 . 25955 1 331 . 1 1 39 39 HIS CA C 13 58.526 . . 1 . 302 . . 39 HIS CA . 25955 1 332 . 1 1 39 39 HIS CB C 13 28.351 . . 1 . 303 . . 39 HIS CB . 25955 1 333 . 1 1 40 40 HIS H H 1 7.160 0.015 . 1 . 310 . . 40 HIS H . 25955 1 334 . 1 1 40 40 HIS HA H 1 4.301 . . 1 . 311 . . 40 HIS HA . 25955 1 335 . 1 1 40 40 HIS HB2 H 1 2.829 0.001 . 2 . 312 . . 40 HIS HB2 . 25955 1 336 . 1 1 40 40 HIS HB3 H 1 3.040 . . 2 . 313 . . 40 HIS HB3 . 25955 1 337 . 1 1 40 40 HIS HD1 H 1 7.371 . . 1 . 314 . . 40 HIS HD1 . 25955 1 338 . 1 1 40 40 HIS HD2 H 1 6.655 0.001 . 1 . 315 . . 40 HIS HD2 . 25955 1 339 . 1 1 40 40 HIS HE1 H 1 7.956 . . 1 . 316 . . 40 HIS HE1 . 25955 1 340 . 1 1 40 40 HIS C C 13 177.091 0.004 . 1 . 307 . . 40 HIS C . 25955 1 341 . 1 1 40 40 HIS CA C 13 57.395 0.003 . 1 . 308 . . 40 HIS CA . 25955 1 342 . 1 1 40 40 HIS CB C 13 29.042 0.005 . 1 . 309 . . 40 HIS CB . 25955 1 343 . 1 1 40 40 HIS N N 15 117.894 0.11 . 1 . 317 . . 40 HIS N . 25955 1 344 . 1 1 41 41 PHE H H 1 7.411 0.003 . 1 . 321 . . 41 PHE H . 25955 1 345 . 1 1 41 41 PHE HA H 1 4.814 0.019 . 1 . 322 . . 41 PHE HA . 25955 1 346 . 1 1 41 41 PHE HB2 H 1 3.226 0.004 . 2 . 323 . . 41 PHE HB2 . 25955 1 347 . 1 1 41 41 PHE HB3 H 1 3.451 0.005 . 2 . 324 . . 41 PHE HB3 . 25955 1 348 . 1 1 41 41 PHE HD1 H 1 7.366 0.005 . 1 . 325 . . 41 PHE HD1 . 25955 1 349 . 1 1 41 41 PHE HD2 H 1 7.366 0.005 . 1 . 326 . . 41 PHE HD2 . 25955 1 350 . 1 1 41 41 PHE HE1 H 1 7.125 0.002 . 1 . 327 . . 41 PHE HE1 . 25955 1 351 . 1 1 41 41 PHE HE2 H 1 7.125 0.002 . 1 . 328 . . 41 PHE HE2 . 25955 1 352 . 1 1 41 41 PHE HZ H 1 6.822 0.003 . 1 . 329 . . 41 PHE HZ . 25955 1 353 . 1 1 41 41 PHE C C 13 176.992 0.015 . 1 . 318 . . 41 PHE C . 25955 1 354 . 1 1 41 41 PHE CA C 13 57.118 0.046 . 1 . 319 . . 41 PHE CA . 25955 1 355 . 1 1 41 41 PHE CB C 13 37.995 0.084 . 1 . 320 . . 41 PHE CB . 25955 1 356 . 1 1 41 41 PHE N N 15 116.223 0.044 . 1 . 330 . . 41 PHE N . 25955 1 357 . 1 1 42 42 GLU H H 1 7.306 0.006 . 1 . 334 . . 42 GLU H . 25955 1 358 . 1 1 42 42 GLU HA H 1 4.434 0.006 . 1 . 335 . . 42 GLU HA . 25955 1 359 . 1 1 42 42 GLU HB2 H 1 1.874 0.005 . 2 . 336 . . 42 GLU HB2 . 25955 1 360 . 1 1 42 42 GLU HB3 H 1 2.250 0.006 . 2 . 337 . . 42 GLU HB3 . 25955 1 361 . 1 1 42 42 GLU HG2 H 1 2.369 0.001 . 2 . 338 . . 42 GLU HG2 . 25955 1 362 . 1 1 42 42 GLU HG3 H 1 2.376 0.011 . 2 . 339 . . 42 GLU HG3 . 25955 1 363 . 1 1 42 42 GLU C C 13 176.006 0.004 . 1 . 331 . . 42 GLU C . 25955 1 364 . 1 1 42 42 GLU CA C 13 55.602 0.07 . 1 . 332 . . 42 GLU CA . 25955 1 365 . 1 1 42 42 GLU CB C 13 30.215 0.088 . 1 . 333 . . 42 GLU CB . 25955 1 366 . 1 1 42 42 GLU N N 15 116.357 0.066 . 1 . 340 . . 42 GLU N . 25955 1 367 . 1 1 43 43 GLU H H 1 6.790 0.01 . 1 . 344 . . 43 GLU H . 25955 1 368 . 1 1 43 43 GLU HA H 1 4.154 0.007 . 1 . 345 . . 43 GLU HA . 25955 1 369 . 1 1 43 43 GLU HB2 H 1 1.964 0.005 . 2 . 346 . . 43 GLU HB2 . 25955 1 370 . 1 1 43 43 GLU HB3 H 1 1.965 0.006 . 2 . 347 . . 43 GLU HB3 . 25955 1 371 . 1 1 43 43 GLU HG2 H 1 2.299 . . 2 . 348 . . 43 GLU HG2 . 25955 1 372 . 1 1 43 43 GLU HG3 H 1 2.422 0.004 . 2 . 349 . . 43 GLU HG3 . 25955 1 373 . 1 1 43 43 GLU C C 13 175.839 0.003 . 1 . 341 . . 43 GLU C . 25955 1 374 . 1 1 43 43 GLU CA C 13 55.413 0.156 . 1 . 342 . . 43 GLU CA . 25955 1 375 . 1 1 43 43 GLU CB C 13 30.349 0.115 . 1 . 343 . . 43 GLU CB . 25955 1 376 . 1 1 43 43 GLU N N 15 119.229 0.041 . 1 . 350 . . 43 GLU N . 25955 1 377 . 1 1 44 44 SER H H 1 8.547 0.008 . 1 . 354 . . 44 SER H . 25955 1 378 . 1 1 44 44 SER HA H 1 4.148 0.005 . 1 . 355 . . 44 SER HA . 25955 1 379 . 1 1 44 44 SER HB2 H 1 3.875 0.001 . 2 . 356 . . 44 SER HB2 . 25955 1 380 . 1 1 44 44 SER HB3 H 1 3.878 0.004 . 2 . 357 . . 44 SER HB3 . 25955 1 381 . 1 1 44 44 SER C C 13 175.801 0.06 . 1 . 351 . . 44 SER C . 25955 1 382 . 1 1 44 44 SER CA C 13 61.353 0.109 . 1 . 352 . . 44 SER CA . 25955 1 383 . 1 1 44 44 SER CB C 13 62.454 0.004 . 1 . 353 . . 44 SER CB . 25955 1 384 . 1 1 44 44 SER N N 15 116.757 0.061 . 1 . 358 . . 44 SER N . 25955 1 385 . 1 1 45 45 SER H H 1 8.156 0.005 . 1 . 361 . . 45 SER H . 25955 1 386 . 1 1 45 45 SER HA H 1 3.849 0.005 . 1 . 362 . . 45 SER HA . 25955 1 387 . 1 1 45 45 SER HB2 H 1 3.653 0.004 . 1 . 363 . . 45 SER HB2 . 25955 1 388 . 1 1 45 45 SER HB3 H 1 3.653 0.004 . 1 . 364 . . 45 SER HB3 . 25955 1 389 . 1 1 45 45 SER C C 13 183.466 . . 1 . 359 . . 45 SER C . 25955 1 390 . 1 1 45 45 SER CA C 13 54.811 . . 1 . 360 . . 45 SER CA . 25955 1 391 . 1 1 45 45 SER N N 15 115.937 0.064 . 1 . 365 . . 45 SER N . 25955 1 392 . 1 1 46 46 PRO HA H 1 4.785 0.019 . 1 . 369 . . 46 PRO HA . 25955 1 393 . 1 1 46 46 PRO HB2 H 1 2.055 . . 1 . 370 . . 46 PRO HB2 . 25955 1 394 . 1 1 46 46 PRO C C 13 179.599 . . 1 . 366 . . 46 PRO C . 25955 1 395 . 1 1 46 46 PRO CA C 13 63.801 . . 1 . 367 . . 46 PRO CA . 25955 1 396 . 1 1 46 46 PRO CB C 13 32.356 . . 1 . 368 . . 46 PRO CB . 25955 1 397 . 1 1 47 47 CYS H H 1 9.291 0.004 . 1 . 374 . . 47 CYS H . 25955 1 398 . 1 1 47 47 CYS HA H 1 4.368 0.002 . 1 . 375 . . 47 CYS HA . 25955 1 399 . 1 1 47 47 CYS HB2 H 1 3.180 0.004 . 2 . 376 . . 47 CYS HB2 . 25955 1 400 . 1 1 47 47 CYS HB3 H 1 3.372 0.005 . 2 . 377 . . 47 CYS HB3 . 25955 1 401 . 1 1 47 47 CYS C C 13 177.989 . . 1 . 371 . . 47 CYS C . 25955 1 402 . 1 1 47 47 CYS CA C 13 60.379 0.019 . 1 . 372 . . 47 CYS CA . 25955 1 403 . 1 1 47 47 CYS CB C 13 29.232 0.071 . 1 . 373 . . 47 CYS CB . 25955 1 404 . 1 1 47 47 CYS N N 15 130.697 0.061 . 1 . 378 . . 47 CYS N . 25955 1 405 . 1 1 51 51 TYR H H 1 8.255 . . 1 . 382 . . 51 TYR H . 25955 1 406 . 1 1 51 51 TYR HA H 1 4.203 0.005 . 1 . 383 . . 51 TYR HA . 25955 1 407 . 1 1 51 51 TYR HB2 H 1 2.435 0.006 . 2 . 384 . . 51 TYR HB2 . 25955 1 408 . 1 1 51 51 TYR HB3 H 1 3.408 0.007 . 2 . 385 . . 51 TYR HB3 . 25955 1 409 . 1 1 51 51 TYR HD1 H 1 7.047 0.001 . 1 . 386 . . 51 TYR HD1 . 25955 1 410 . 1 1 51 51 TYR HD2 H 1 7.047 0.001 . 1 . 387 . . 51 TYR HD2 . 25955 1 411 . 1 1 51 51 TYR HE1 H 1 6.795 0.002 . 1 . 388 . . 51 TYR HE1 . 25955 1 412 . 1 1 51 51 TYR HE2 H 1 6.795 0.002 . 1 . 389 . . 51 TYR HE2 . 25955 1 413 . 1 1 51 51 TYR C C 13 176.096 . . 1 . 379 . . 51 TYR C . 25955 1 414 . 1 1 51 51 TYR CA C 13 56.453 . . 1 . 380 . . 51 TYR CA . 25955 1 415 . 1 1 51 51 TYR CB C 13 40.296 0.021 . 1 . 381 . . 51 TYR CB . 25955 1 416 . 1 1 52 52 GLY H H 1 8.042 0.006 . 1 . 392 . . 52 GLY H . 25955 1 417 . 1 1 52 52 GLY HA2 H 1 3.899 . . 2 . 393 . . 52 GLY HA2 . 25955 1 418 . 1 1 52 52 GLY HA3 H 1 3.987 0.004 . 2 . 394 . . 52 GLY HA3 . 25955 1 419 . 1 1 52 52 GLY C C 13 174.808 . . 1 . 390 . . 52 GLY C . 25955 1 420 . 1 1 52 52 GLY CA C 13 46.759 0.137 . 1 . 391 . . 52 GLY CA . 25955 1 421 . 1 1 52 52 GLY N N 15 108.177 0.045 . 1 . 395 . . 52 GLY N . 25955 1 422 . 1 1 53 53 LEU H H 1 8.234 0.011 . 1 . 399 . . 53 LEU H . 25955 1 423 . 1 1 53 53 LEU HB2 H 1 1.632 . . 1 . 400 . . 53 LEU HB2 . 25955 1 424 . 1 1 53 53 LEU HD11 H 1 0.666 0.002 . 1 . 401 . . 53 LEU HD11 . 25955 1 425 . 1 1 53 53 LEU HD12 H 1 0.666 0.002 . 1 . 401 . . 53 LEU HD12 . 25955 1 426 . 1 1 53 53 LEU HD13 H 1 0.666 0.002 . 1 . 401 . . 53 LEU HD13 . 25955 1 427 . 1 1 53 53 LEU HD21 H 1 0.666 0.002 . 1 . 402 . . 53 LEU HD21 . 25955 1 428 . 1 1 53 53 LEU HD22 H 1 0.666 0.002 . 1 . 402 . . 53 LEU HD22 . 25955 1 429 . 1 1 53 53 LEU HD23 H 1 0.666 0.002 . 1 . 402 . . 53 LEU HD23 . 25955 1 430 . 1 1 53 53 LEU C C 13 177.074 . . 1 . 396 . . 53 LEU C . 25955 1 431 . 1 1 53 53 LEU CA C 13 54.313 . . 1 . 397 . . 53 LEU CA . 25955 1 432 . 1 1 53 53 LEU CB C 13 40.499 0.019 . 1 . 398 . . 53 LEU CB . 25955 1 433 . 1 1 53 53 LEU N N 15 119.148 0.1 . 1 . 403 . . 53 LEU N . 25955 1 434 . 1 1 54 54 GLU HA H 1 3.661 0.005 . 1 . 407 . . 54 GLU HA . 25955 1 435 . 1 1 54 54 GLU HB2 H 1 1.819 . . 1 . 408 . . 54 GLU HB2 . 25955 1 436 . 1 1 54 54 GLU C C 13 176.910 . . 1 . 404 . . 54 GLU C . 25955 1 437 . 1 1 54 54 GLU CA C 13 61.384 . . 1 . 405 . . 54 GLU CA . 25955 1 438 . 1 1 54 54 GLU CB C 13 29.618 . . 1 . 406 . . 54 GLU CB . 25955 1 439 . 1 1 55 55 GLN H H 1 8.462 0.008 . 1 . 412 . . 55 GLN H . 25955 1 440 . 1 1 55 55 GLN HA H 1 3.894 0.006 . 1 . 413 . . 55 GLN HA . 25955 1 441 . 1 1 55 55 GLN HB2 H 1 2.005 0.007 . 2 . 414 . . 55 GLN HB2 . 25955 1 442 . 1 1 55 55 GLN HB3 H 1 2.089 0.002 . 2 . 415 . . 55 GLN HB3 . 25955 1 443 . 1 1 55 55 GLN HG2 H 1 2.370 0.002 . 2 . 418 . . 55 GLN HG2 . 25955 1 444 . 1 1 55 55 GLN HG3 H 1 2.435 0.004 . 2 . 419 . . 55 GLN HG3 . 25955 1 445 . 1 1 55 55 GLN HE21 H 1 6.919 0.002 . 1 . 416 . . 55 GLN HE21 . 25955 1 446 . 1 1 55 55 GLN HE22 H 1 7.664 0.002 . 1 . 417 . . 55 GLN HE22 . 25955 1 447 . 1 1 55 55 GLN C C 13 178.810 0.005 . 1 . 409 . . 55 GLN C . 25955 1 448 . 1 1 55 55 GLN CA C 13 58.756 0.257 . 1 . 410 . . 55 GLN CA . 25955 1 449 . 1 1 55 55 GLN CB C 13 27.950 0.257 . 1 . 411 . . 55 GLN CB . 25955 1 450 . 1 1 55 55 GLN N N 15 116.798 0.052 . 1 . 420 . . 55 GLN N . 25955 1 451 . 1 1 55 55 GLN NE2 N 15 113.307 0.01 . 1 . 421 . . 55 GLN NE2 . 25955 1 452 . 1 1 56 56 ALA H H 1 8.408 0.018 . 1 . 425 . . 56 ALA H . 25955 1 453 . 1 1 56 56 ALA HA H 1 3.968 0.004 . 1 . 426 . . 56 ALA HA . 25955 1 454 . 1 1 56 56 ALA HB1 H 1 1.306 0.011 . 1 . 427 . . 56 ALA HB1 . 25955 1 455 . 1 1 56 56 ALA HB2 H 1 1.306 0.011 . 1 . 427 . . 56 ALA HB2 . 25955 1 456 . 1 1 56 56 ALA HB3 H 1 1.306 0.011 . 1 . 427 . . 56 ALA HB3 . 25955 1 457 . 1 1 56 56 ALA C C 13 179.040 0.003 . 1 . 422 . . 56 ALA C . 25955 1 458 . 1 1 56 56 ALA CA C 13 54.921 0.06 . 1 . 423 . . 56 ALA CA . 25955 1 459 . 1 1 56 56 ALA CB C 13 19.076 . . 1 . 424 . . 56 ALA CB . 25955 1 460 . 1 1 56 56 ALA N N 15 121.506 0.076 . 1 . 428 . . 56 ALA N . 25955 1 461 . 1 1 57 57 VAL H H 1 8.111 0.006 . 1 . 432 . . 57 VAL H . 25955 1 462 . 1 1 57 57 VAL HA H 1 3.491 0.005 . 1 . 433 . . 57 VAL HA . 25955 1 463 . 1 1 57 57 VAL HB H 1 2.136 0.001 . 1 . 434 . . 57 VAL HB . 25955 1 464 . 1 1 57 57 VAL HG11 H 1 0.817 0.004 . 2 . 435 . . 57 VAL HG11 . 25955 1 465 . 1 1 57 57 VAL HG12 H 1 0.817 0.004 . 2 . 435 . . 57 VAL HG12 . 25955 1 466 . 1 1 57 57 VAL HG13 H 1 0.817 0.004 . 2 . 435 . . 57 VAL HG13 . 25955 1 467 . 1 1 57 57 VAL HG21 H 1 1.042 0.005 . 2 . 436 . . 57 VAL HG21 . 25955 1 468 . 1 1 57 57 VAL HG22 H 1 1.042 0.005 . 2 . 436 . . 57 VAL HG22 . 25955 1 469 . 1 1 57 57 VAL HG23 H 1 1.042 0.005 . 2 . 436 . . 57 VAL HG23 . 25955 1 470 . 1 1 57 57 VAL C C 13 177.401 0.013 . 1 . 429 . . 57 VAL C . 25955 1 471 . 1 1 57 57 VAL CA C 13 67.007 0.148 . 1 . 430 . . 57 VAL CA . 25955 1 472 . 1 1 57 57 VAL CB C 13 31.221 . . 1 . 431 . . 57 VAL CB . 25955 1 473 . 1 1 57 57 VAL N N 15 114.988 0.044 . 1 . 437 . . 57 VAL N . 25955 1 474 . 1 1 58 58 LYS H H 1 7.962 0.003 . 1 . 441 . . 58 LYS H . 25955 1 475 . 1 1 58 58 LYS HA H 1 3.399 0.007 . 1 . 442 . . 58 LYS HA . 25955 1 476 . 1 1 58 58 LYS HB2 H 1 1.498 0.007 . 1 . 443 . . 58 LYS HB2 . 25955 1 477 . 1 1 58 58 LYS HB3 H 1 1.498 0.008 . 1 . 444 . . 58 LYS HB3 . 25955 1 478 . 1 1 58 58 LYS HG2 H 1 1.307 0.002 . 1 . 449 . . 58 LYS HG2 . 25955 1 479 . 1 1 58 58 LYS HG3 H 1 1.307 0.002 . 1 . 450 . . 58 LYS HG3 . 25955 1 480 . 1 1 58 58 LYS HD2 H 1 1.304 0.003 . 2 . 445 . . 58 LYS HD2 . 25955 1 481 . 1 1 58 58 LYS HD3 H 1 1.305 0.003 . 2 . 446 . . 58 LYS HD3 . 25955 1 482 . 1 1 58 58 LYS HE2 H 1 2.484 . . 1 . 447 . . 58 LYS HE2 . 25955 1 483 . 1 1 58 58 LYS HE3 H 1 2.484 . . 1 . 448 . . 58 LYS HE3 . 25955 1 484 . 1 1 58 58 LYS C C 13 178.403 0.004 . 1 . 438 . . 58 LYS C . 25955 1 485 . 1 1 58 58 LYS CA C 13 60.488 0.262 . 1 . 439 . . 58 LYS CA . 25955 1 486 . 1 1 58 58 LYS CB C 13 31.938 0.063 . 1 . 440 . . 58 LYS CB . 25955 1 487 . 1 1 58 58 LYS N N 15 120.148 0.042 . 1 . 451 . . 58 LYS N . 25955 1 488 . 1 1 59 59 LYS H H 1 7.367 0.006 . 1 . 455 . . 59 LYS H . 25955 1 489 . 1 1 59 59 LYS HA H 1 3.947 0.006 . 1 . 456 . . 59 LYS HA . 25955 1 490 . 1 1 59 59 LYS HB2 H 1 1.742 0.01 . 2 . 457 . . 59 LYS HB2 . 25955 1 491 . 1 1 59 59 LYS HB3 H 1 1.891 0.013 . 2 . 458 . . 59 LYS HB3 . 25955 1 492 . 1 1 59 59 LYS HG2 H 1 1.578 0.009 . 1 . 463 . . 59 LYS HG2 . 25955 1 493 . 1 1 59 59 LYS HG3 H 1 1.578 0.009 . 1 . 464 . . 59 LYS HG3 . 25955 1 494 . 1 1 59 59 LYS HD2 H 1 1.376 0.002 . 1 . 459 . . 59 LYS HD2 . 25955 1 495 . 1 1 59 59 LYS HD3 H 1 1.376 0.002 . 1 . 460 . . 59 LYS HD3 . 25955 1 496 . 1 1 59 59 LYS HE2 H 1 2.484 . . 1 . 461 . . 59 LYS HE2 . 25955 1 497 . 1 1 59 59 LYS HE3 H 1 2.484 . . 1 . 462 . . 59 LYS HE3 . 25955 1 498 . 1 1 59 59 LYS C C 13 178.358 0.004 . 1 . 452 . . 59 LYS C . 25955 1 499 . 1 1 59 59 LYS CA C 13 58.866 0.136 . 1 . 453 . . 59 LYS CA . 25955 1 500 . 1 1 59 59 LYS CB C 13 32.341 0.199 . 1 . 454 . . 59 LYS CB . 25955 1 501 . 1 1 59 59 LYS N N 15 116.082 0.073 . 1 . 465 . . 59 LYS N . 25955 1 502 . 1 1 60 60 LEU H H 1 7.640 0.003 . 1 . 469 . . 60 LEU H . 25955 1 503 . 1 1 60 60 LEU HA H 1 4.112 0.009 . 1 . 470 . . 60 LEU HA . 25955 1 504 . 1 1 60 60 LEU HB2 H 1 1.824 0.003 . 2 . 471 . . 60 LEU HB2 . 25955 1 505 . 1 1 60 60 LEU HB3 H 1 1.928 0.013 . 2 . 472 . . 60 LEU HB3 . 25955 1 506 . 1 1 60 60 LEU HG H 1 1.540 0.004 . 1 . 475 . . 60 LEU HG . 25955 1 507 . 1 1 60 60 LEU HD11 H 1 0.825 0.006 . 2 . 473 . . 60 LEU HD11 . 25955 1 508 . 1 1 60 60 LEU HD12 H 1 0.825 0.006 . 2 . 473 . . 60 LEU HD12 . 25955 1 509 . 1 1 60 60 LEU HD13 H 1 0.825 0.006 . 2 . 473 . . 60 LEU HD13 . 25955 1 510 . 1 1 60 60 LEU HD21 H 1 0.932 0.002 . 2 . 474 . . 60 LEU HD21 . 25955 1 511 . 1 1 60 60 LEU HD22 H 1 0.932 0.002 . 2 . 474 . . 60 LEU HD22 . 25955 1 512 . 1 1 60 60 LEU HD23 H 1 0.932 0.002 . 2 . 474 . . 60 LEU HD23 . 25955 1 513 . 1 1 60 60 LEU C C 13 178.590 0.002 . 1 . 466 . . 60 LEU C . 25955 1 514 . 1 1 60 60 LEU CA C 13 57.244 0.066 . 1 . 467 . . 60 LEU CA . 25955 1 515 . 1 1 60 60 LEU CB C 13 42.489 0.199 . 1 . 468 . . 60 LEU CB . 25955 1 516 . 1 1 60 60 LEU N N 15 117.621 0.045 . 1 . 476 . . 60 LEU N . 25955 1 517 . 1 1 61 61 VAL H H 1 8.167 0.006 . 1 . 480 . . 61 VAL H . 25955 1 518 . 1 1 61 61 VAL HA H 1 4.010 0.016 . 1 . 481 . . 61 VAL HA . 25955 1 519 . 1 1 61 61 VAL HB H 1 2.236 0.014 . 1 . 482 . . 61 VAL HB . 25955 1 520 . 1 1 61 61 VAL HG11 H 1 0.934 0.004 . 2 . 483 . . 61 VAL HG11 . 25955 1 521 . 1 1 61 61 VAL HG12 H 1 0.934 0.004 . 2 . 483 . . 61 VAL HG12 . 25955 1 522 . 1 1 61 61 VAL HG13 H 1 0.934 0.004 . 2 . 483 . . 61 VAL HG13 . 25955 1 523 . 1 1 61 61 VAL HG21 H 1 0.944 0.011 . 2 . 484 . . 61 VAL HG21 . 25955 1 524 . 1 1 61 61 VAL HG22 H 1 0.944 0.011 . 2 . 484 . . 61 VAL HG22 . 25955 1 525 . 1 1 61 61 VAL HG23 H 1 0.944 0.011 . 2 . 484 . . 61 VAL HG23 . 25955 1 526 . 1 1 61 61 VAL C C 13 176.502 0.002 . 1 . 477 . . 61 VAL C . 25955 1 527 . 1 1 61 61 VAL CA C 13 64.082 0.231 . 1 . 478 . . 61 VAL CA . 25955 1 528 . 1 1 61 61 VAL CB C 13 32.167 0.131 . 1 . 479 . . 61 VAL CB . 25955 1 529 . 1 1 61 61 VAL N N 15 114.653 0.066 . 1 . 485 . . 61 VAL N . 25955 1 530 . 1 1 62 62 LYS H H 1 7.876 0.013 . 1 . 489 . . 62 LYS H . 25955 1 531 . 1 1 62 62 LYS HA H 1 4.327 0.007 . 1 . 490 . . 62 LYS HA . 25955 1 532 . 1 1 62 62 LYS HB2 H 1 1.810 0.005 . 2 . 491 . . 62 LYS HB2 . 25955 1 533 . 1 1 62 62 LYS HB3 H 1 1.818 0.009 . 2 . 492 . . 62 LYS HB3 . 25955 1 534 . 1 1 62 62 LYS HG2 H 1 1.415 0.01 . 2 . 495 . . 62 LYS HG2 . 25955 1 535 . 1 1 62 62 LYS HG3 H 1 1.442 0.01 . 2 . 496 . . 62 LYS HG3 . 25955 1 536 . 1 1 62 62 LYS HD2 H 1 1.617 0.001 . 1 . 493 . . 62 LYS HD2 . 25955 1 537 . 1 1 62 62 LYS HD3 H 1 1.617 0.001 . 1 . 494 . . 62 LYS HD3 . 25955 1 538 . 1 1 62 62 LYS C C 13 176.498 . . 1 . 486 . . 62 LYS C . 25955 1 539 . 1 1 62 62 LYS CA C 13 56.424 0.152 . 1 . 487 . . 62 LYS CA . 25955 1 540 . 1 1 62 62 LYS CB C 13 31.426 0.006 . 1 . 488 . . 62 LYS CB . 25955 1 541 . 1 1 62 62 LYS N N 15 119.823 0.056 . 1 . 497 . . 62 LYS N . 25955 1 542 . 1 1 63 63 ARG H H 1 7.941 0.008 . 1 . 501 . . 63 ARG H . 25955 1 543 . 1 1 63 63 ARG HA H 1 4.241 0.004 . 1 . 502 . . 63 ARG HA . 25955 1 544 . 1 1 63 63 ARG HB2 H 1 1.849 0.016 . 2 . 503 . . 63 ARG HB2 . 25955 1 545 . 1 1 63 63 ARG HB3 H 1 1.894 0.026 . 2 . 504 . . 63 ARG HB3 . 25955 1 546 . 1 1 63 63 ARG HG2 H 1 1.650 0.006 . 2 . 507 . . 63 ARG HG2 . 25955 1 547 . 1 1 63 63 ARG HG3 H 1 1.652 0.003 . 2 . 508 . . 63 ARG HG3 . 25955 1 548 . 1 1 63 63 ARG HD2 H 1 2.906 0.008 . 1 . 505 . . 63 ARG HD2 . 25955 1 549 . 1 1 63 63 ARG HD3 H 1 2.906 0.008 . 1 . 506 . . 63 ARG HD3 . 25955 1 550 . 1 1 63 63 ARG C C 13 176.623 0.002 . 1 . 498 . . 63 ARG C . 25955 1 551 . 1 1 63 63 ARG CA C 13 56.603 0.184 . 1 . 499 . . 63 ARG CA . 25955 1 552 . 1 1 63 63 ARG CB C 13 29.811 0.048 . 1 . 500 . . 63 ARG CB . 25955 1 553 . 1 1 63 63 ARG N N 15 120.812 0.096 . 1 . 509 . . 63 ARG N . 25955 1 554 . 1 1 64 64 ALA H H 1 8.256 0.008 . 1 . 513 . . 64 ALA H . 25955 1 555 . 1 1 64 64 ALA HA H 1 4.310 0.007 . 1 . 514 . . 64 ALA HA . 25955 1 556 . 1 1 64 64 ALA HB1 H 1 1.392 0.008 . 1 . 515 . . 64 ALA HB1 . 25955 1 557 . 1 1 64 64 ALA HB2 H 1 1.392 0.008 . 1 . 515 . . 64 ALA HB2 . 25955 1 558 . 1 1 64 64 ALA HB3 H 1 1.392 0.008 . 1 . 515 . . 64 ALA HB3 . 25955 1 559 . 1 1 64 64 ALA C C 13 177.350 0.002 . 1 . 510 . . 64 ALA C . 25955 1 560 . 1 1 64 64 ALA CA C 13 52.405 0.168 . 1 . 511 . . 64 ALA CA . 25955 1 561 . 1 1 64 64 ALA CB C 13 19.363 0.069 . 1 . 512 . . 64 ALA CB . 25955 1 562 . 1 1 64 64 ALA N N 15 124.471 0.029 . 1 . 516 . . 64 ALA N . 25955 1 563 . 1 1 65 65 ALA H H 1 8.186 0.013 . 1 . 520 . . 65 ALA H . 25955 1 564 . 1 1 65 65 ALA HA H 1 4.299 0.005 . 1 . 521 . . 65 ALA HA . 25955 1 565 . 1 1 65 65 ALA HB1 H 1 1.397 0.004 . 1 . 522 . . 65 ALA HB1 . 25955 1 566 . 1 1 65 65 ALA HB2 H 1 1.397 0.004 . 1 . 522 . . 65 ALA HB2 . 25955 1 567 . 1 1 65 65 ALA HB3 H 1 1.397 0.004 . 1 . 522 . . 65 ALA HB3 . 25955 1 568 . 1 1 65 65 ALA C C 13 178.376 . . 1 . 517 . . 65 ALA C . 25955 1 569 . 1 1 65 65 ALA CA C 13 52.712 0.013 . 1 . 518 . . 65 ALA CA . 25955 1 570 . 1 1 65 65 ALA CB C 13 18.965 0.023 . 1 . 519 . . 65 ALA CB . 25955 1 571 . 1 1 65 65 ALA N N 15 122.609 0.069 . 1 . 523 . . 65 ALA N . 25955 1 572 . 1 1 66 66 GLY H H 1 8.408 0.005 . 1 . 526 . . 66 GLY H . 25955 1 573 . 1 1 66 66 GLY HA2 H 1 3.914 0.009 . 2 . 527 . . 66 GLY HA2 . 25955 1 574 . 1 1 66 66 GLY HA3 H 1 4.024 0.009 . 2 . 528 . . 66 GLY HA3 . 25955 1 575 . 1 1 66 66 GLY C C 13 174.408 0.003 . 1 . 524 . . 66 GLY C . 25955 1 576 . 1 1 66 66 GLY CA C 13 45.365 0.139 . 1 . 525 . . 66 GLY CA . 25955 1 577 . 1 1 66 66 GLY N N 15 108.721 0.029 . 1 . 529 . . 66 GLY N . 25955 1 578 . 1 1 67 67 GLN H H 1 8.126 0.006 . 1 . 533 . . 67 GLN H . 25955 1 579 . 1 1 67 67 GLN HA H 1 4.339 0.01 . 1 . 534 . . 67 GLN HA . 25955 1 580 . 1 1 67 67 GLN HB2 H 1 1.974 0.006 . 2 . 535 . . 67 GLN HB2 . 25955 1 581 . 1 1 67 67 GLN HB3 H 1 2.120 0.004 . 2 . 536 . . 67 GLN HB3 . 25955 1 582 . 1 1 67 67 GLN HG2 H 1 2.315 0.003 . 2 . 539 . . 67 GLN HG2 . 25955 1 583 . 1 1 67 67 GLN HG3 H 1 2.316 0.002 . 2 . 540 . . 67 GLN HG3 . 25955 1 584 . 1 1 67 67 GLN HE21 H 1 6.858 0.001 . 1 . 537 . . 67 GLN HE21 . 25955 1 585 . 1 1 67 67 GLN HE22 H 1 7.604 0.001 . 1 . 538 . . 67 GLN HE22 . 25955 1 586 . 1 1 67 67 GLN C C 13 175.648 . . 1 . 530 . . 67 GLN C . 25955 1 587 . 1 1 67 67 GLN CA C 13 55.880 0.207 . 1 . 531 . . 67 GLN CA . 25955 1 588 . 1 1 67 67 GLN CB C 13 29.454 0.135 . 1 . 532 . . 67 GLN CB . 25955 1 589 . 1 1 67 67 GLN N N 15 119.438 0.108 . 1 . 541 . . 67 GLN N . 25955 1 590 . 1 1 67 67 GLN NE2 N 15 112.645 0.001 . 1 . 542 . . 67 GLN NE2 . 25955 1 591 . 1 1 68 68 ASP H H 1 8.350 0.009 . 1 . 546 . . 68 ASP H . 25955 1 592 . 1 1 68 68 ASP HA H 1 4.589 0.008 . 1 . 547 . . 68 ASP HA . 25955 1 593 . 1 1 68 68 ASP HB2 H 1 2.571 0.006 . 2 . 548 . . 68 ASP HB2 . 25955 1 594 . 1 1 68 68 ASP HB3 H 1 2.674 0.011 . 2 . 549 . . 68 ASP HB3 . 25955 1 595 . 1 1 68 68 ASP C C 13 175.661 . . 1 . 543 . . 68 ASP C . 25955 1 596 . 1 1 68 68 ASP CA C 13 54.310 0.092 . 1 . 544 . . 68 ASP CA . 25955 1 597 . 1 1 68 68 ASP CB C 13 41.308 0.042 . 1 . 545 . . 68 ASP CB . 25955 1 598 . 1 1 68 68 ASP N N 15 120.629 0.049 . 1 . 550 . . 68 ASP N . 25955 1 599 . 1 1 69 69 ASP H H 1 8.256 0.011 . 1 . 554 . . 69 ASP H . 25955 1 600 . 1 1 69 69 ASP HA H 1 4.586 0.005 . 1 . 555 . . 69 ASP HA . 25955 1 601 . 1 1 69 69 ASP HB2 H 1 2.582 0.002 . 2 . 556 . . 69 ASP HB2 . 25955 1 602 . 1 1 69 69 ASP HB3 H 1 2.583 0.002 . 2 . 557 . . 69 ASP HB3 . 25955 1 603 . 1 1 69 69 ASP C C 13 175.832 0.005 . 1 . 551 . . 69 ASP C . 25955 1 604 . 1 1 69 69 ASP CA C 13 54.135 0.047 . 1 . 552 . . 69 ASP CA . 25955 1 605 . 1 1 69 69 ASP CB C 13 41.342 0.109 . 1 . 553 . . 69 ASP CB . 25955 1 606 . 1 1 69 69 ASP N N 15 120.172 0.052 . 1 . 558 . . 69 ASP N . 25955 1 607 . 1 1 70 70 VAL H H 1 8.244 0.005 . 1 . 562 . . 70 VAL H . 25955 1 608 . 1 1 70 70 VAL HA H 1 4.328 0.003 . 1 . 563 . . 70 VAL HA . 25955 1 609 . 1 1 70 70 VAL HB H 1 2.069 0.008 . 1 . 564 . . 70 VAL HB . 25955 1 610 . 1 1 70 70 VAL HG11 H 1 0.931 0.003 . 2 . 565 . . 70 VAL HG11 . 25955 1 611 . 1 1 70 70 VAL HG12 H 1 0.931 0.003 . 2 . 565 . . 70 VAL HG12 . 25955 1 612 . 1 1 70 70 VAL HG13 H 1 0.931 0.003 . 2 . 565 . . 70 VAL HG13 . 25955 1 613 . 1 1 70 70 VAL HG21 H 1 0.933 0.002 . 2 . 566 . . 70 VAL HG21 . 25955 1 614 . 1 1 70 70 VAL HG22 H 1 0.933 0.002 . 2 . 566 . . 70 VAL HG22 . 25955 1 615 . 1 1 70 70 VAL HG23 H 1 0.933 0.002 . 2 . 566 . . 70 VAL HG23 . 25955 1 616 . 1 1 70 70 VAL C C 13 174.503 . . 1 . 559 . . 70 VAL C . 25955 1 617 . 1 1 70 70 VAL CA C 13 60.191 0.115 . 1 . 560 . . 70 VAL CA . 25955 1 618 . 1 1 70 70 VAL CB C 13 32.530 0.055 . 1 . 561 . . 70 VAL CB . 25955 1 619 . 1 1 70 70 VAL N N 15 121.653 0.094 . 1 . 567 . . 70 VAL N . 25955 1 620 . 1 1 71 71 PRO HA H 1 4.416 0.003 . 1 . 570 . . 71 PRO HA . 25955 1 621 . 1 1 71 71 PRO HD2 H 1 3.592 0.012 . 2 . 571 . . 71 PRO HD2 . 25955 1 622 . 1 1 71 71 PRO HD3 H 1 3.949 0.001 . 2 . 572 . . 71 PRO HD3 . 25955 1 623 . 1 1 71 71 PRO C C 13 178.338 . . 1 . 568 . . 71 PRO C . 25955 1 624 . 1 1 71 71 PRO CA C 13 63.635 . . 1 . 569 . . 71 PRO CA . 25955 1 625 . 1 1 72 72 GLY H H 1 8.759 0.007 . 1 . 575 . . 72 GLY H . 25955 1 626 . 1 1 72 72 GLY HA2 H 1 3.867 0.009 . 2 . 576 . . 72 GLY HA2 . 25955 1 627 . 1 1 72 72 GLY HA3 H 1 3.965 0.008 . 2 . 577 . . 72 GLY HA3 . 25955 1 628 . 1 1 72 72 GLY C C 13 174.808 . . 1 . 573 . . 72 GLY C . 25955 1 629 . 1 1 72 72 GLY CA C 13 46.563 0.216 . 1 . 574 . . 72 GLY CA . 25955 1 630 . 1 1 72 72 GLY N N 15 110.046 0.078 . 1 . 578 . . 72 GLY N . 25955 1 631 . 1 1 73 73 ASP HA H 1 4.650 0.005 . 1 . 582 . . 73 ASP HA . 25955 1 632 . 1 1 73 73 ASP HB2 H 1 2.649 0.007 . 2 . 583 . . 73 ASP HB2 . 25955 1 633 . 1 1 73 73 ASP HB3 H 1 2.830 0.012 . 2 . 584 . . 73 ASP HB3 . 25955 1 634 . 1 1 73 73 ASP C C 13 177.072 . . 1 . 579 . . 73 ASP C . 25955 1 635 . 1 1 73 73 ASP CA C 13 54.285 . . 1 . 580 . . 73 ASP CA . 25955 1 636 . 1 1 73 73 ASP CB C 13 40.464 0.004 . 1 . 581 . . 73 ASP CB . 25955 1 637 . 1 1 74 74 LEU H H 1 7.633 0.015 . 1 . 588 . . 74 LEU H . 25955 1 638 . 1 1 74 74 LEU HA H 1 4.013 0.007 . 1 . 589 . . 74 LEU HA . 25955 1 639 . 1 1 74 74 LEU HB2 H 1 1.598 0.015 . 2 . 590 . . 74 LEU HB2 . 25955 1 640 . 1 1 74 74 LEU HB3 H 1 1.731 0.004 . 2 . 591 . . 74 LEU HB3 . 25955 1 641 . 1 1 74 74 LEU HG H 1 1.540 0.007 . 1 . 594 . . 74 LEU HG . 25955 1 642 . 1 1 74 74 LEU HD11 H 1 0.917 0.009 . 2 . 592 . . 74 LEU HD11 . 25955 1 643 . 1 1 74 74 LEU HD12 H 1 0.917 0.009 . 2 . 592 . . 74 LEU HD12 . 25955 1 644 . 1 1 74 74 LEU HD13 H 1 0.917 0.009 . 2 . 592 . . 74 LEU HD13 . 25955 1 645 . 1 1 74 74 LEU HD21 H 1 0.930 0.001 . 2 . 593 . . 74 LEU HD21 . 25955 1 646 . 1 1 74 74 LEU HD22 H 1 0.930 0.001 . 2 . 593 . . 74 LEU HD22 . 25955 1 647 . 1 1 74 74 LEU HD23 H 1 0.930 0.001 . 2 . 593 . . 74 LEU HD23 . 25955 1 648 . 1 1 74 74 LEU C C 13 178.200 0.001 . 1 . 585 . . 74 LEU C . 25955 1 649 . 1 1 74 74 LEU CA C 13 58.369 0.175 . 1 . 586 . . 74 LEU CA . 25955 1 650 . 1 1 74 74 LEU CB C 13 42.088 0.155 . 1 . 587 . . 74 LEU CB . 25955 1 651 . 1 1 74 74 LEU N N 15 121.804 0.092 . 1 . 595 . . 74 LEU N . 25955 1 652 . 1 1 75 75 ARG H H 1 8.624 0.014 . 1 . 599 . . 75 ARG H . 25955 1 653 . 1 1 75 75 ARG HA H 1 3.678 0.006 . 1 . 600 . . 75 ARG HA . 25955 1 654 . 1 1 75 75 ARG HB2 H 1 1.847 0.003 . 1 . 601 . . 75 ARG HB2 . 25955 1 655 . 1 1 75 75 ARG HB3 H 1 1.847 0.003 . 1 . 602 . . 75 ARG HB3 . 25955 1 656 . 1 1 75 75 ARG HG2 H 1 1.752 0.005 . 1 . 605 . . 75 ARG HG2 . 25955 1 657 . 1 1 75 75 ARG HG3 H 1 1.752 0.005 . 1 . 606 . . 75 ARG HG3 . 25955 1 658 . 1 1 75 75 ARG HD2 H 1 3.057 0.002 . 2 . 603 . . 75 ARG HD2 . 25955 1 659 . 1 1 75 75 ARG HD3 H 1 3.223 . . 2 . 604 . . 75 ARG HD3 . 25955 1 660 . 1 1 75 75 ARG C C 13 177.468 0.003 . 1 . 596 . . 75 ARG C . 25955 1 661 . 1 1 75 75 ARG CA C 13 60.786 0.175 . 1 . 597 . . 75 ARG CA . 25955 1 662 . 1 1 75 75 ARG CB C 13 29.550 0.035 . 1 . 598 . . 75 ARG CB . 25955 1 663 . 1 1 75 75 ARG N N 15 118.980 0.056 . 1 . 607 . . 75 ARG N . 25955 1 664 . 1 1 76 76 ALA H H 1 7.986 0.009 . 1 . 611 . . 76 ALA H . 25955 1 665 . 1 1 76 76 ALA HA H 1 4.067 0.005 . 1 . 612 . . 76 ALA HA . 25955 1 666 . 1 1 76 76 ALA HB1 H 1 1.445 0.008 . 1 . 613 . . 76 ALA HB1 . 25955 1 667 . 1 1 76 76 ALA HB2 H 1 1.445 0.008 . 1 . 613 . . 76 ALA HB2 . 25955 1 668 . 1 1 76 76 ALA HB3 H 1 1.445 0.008 . 1 . 613 . . 76 ALA HB3 . 25955 1 669 . 1 1 76 76 ALA C C 13 181.517 0.002 . 1 . 608 . . 76 ALA C . 25955 1 670 . 1 1 76 76 ALA CA C 13 55.050 0.077 . 1 . 609 . . 76 ALA CA . 25955 1 671 . 1 1 76 76 ALA CB C 13 18.181 0.062 . 1 . 610 . . 76 ALA CB . 25955 1 672 . 1 1 76 76 ALA N N 15 120.288 0.037 . 1 . 614 . . 76 ALA N . 25955 1 673 . 1 1 77 77 LYS H H 1 8.146 0.004 . 1 . 618 . . 77 LYS H . 25955 1 674 . 1 1 77 77 LYS HA H 1 4.070 0.008 . 1 . 619 . . 77 LYS HA . 25955 1 675 . 1 1 77 77 LYS HB2 H 1 1.836 0.013 . 2 . 620 . . 77 LYS HB2 . 25955 1 676 . 1 1 77 77 LYS HB3 H 1 1.975 0.006 . 2 . 621 . . 77 LYS HB3 . 25955 1 677 . 1 1 77 77 LYS HD2 H 1 1.639 0.006 . 2 . 622 . . 77 LYS HD2 . 25955 1 678 . 1 1 77 77 LYS HD3 H 1 1.641 0.006 . 2 . 623 . . 77 LYS HD3 . 25955 1 679 . 1 1 77 77 LYS C C 13 180.376 0.002 . 1 . 615 . . 77 LYS C . 25955 1 680 . 1 1 77 77 LYS CA C 13 59.441 0.141 . 1 . 616 . . 77 LYS CA . 25955 1 681 . 1 1 77 77 LYS CB C 13 32.101 0.117 . 1 . 617 . . 77 LYS CB . 25955 1 682 . 1 1 77 77 LYS N N 15 119.940 0.084 . 1 . 624 . . 77 LYS N . 25955 1 683 . 1 1 78 78 VAL H H 1 8.570 0.014 . 1 . 628 . . 78 VAL H . 25955 1 684 . 1 1 78 78 VAL HA H 1 3.475 0.006 . 1 . 629 . . 78 VAL HA . 25955 1 685 . 1 1 78 78 VAL HB H 1 2.033 0.008 . 1 . 630 . . 78 VAL HB . 25955 1 686 . 1 1 78 78 VAL HG11 H 1 0.753 0.006 . 2 . 631 . . 78 VAL HG11 . 25955 1 687 . 1 1 78 78 VAL HG12 H 1 0.753 0.006 . 2 . 631 . . 78 VAL HG12 . 25955 1 688 . 1 1 78 78 VAL HG13 H 1 0.753 0.006 . 2 . 631 . . 78 VAL HG13 . 25955 1 689 . 1 1 78 78 VAL HG21 H 1 0.920 0.012 . 2 . 632 . . 78 VAL HG21 . 25955 1 690 . 1 1 78 78 VAL HG22 H 1 0.920 0.012 . 2 . 632 . . 78 VAL HG22 . 25955 1 691 . 1 1 78 78 VAL HG23 H 1 0.920 0.012 . 2 . 632 . . 78 VAL HG23 . 25955 1 692 . 1 1 78 78 VAL C C 13 177.721 . . 1 . 625 . . 78 VAL C . 25955 1 693 . 1 1 78 78 VAL CA C 13 67.198 0.099 . 1 . 626 . . 78 VAL CA . 25955 1 694 . 1 1 78 78 VAL CB C 13 31.043 0.25 . 1 . 627 . . 78 VAL CB . 25955 1 695 . 1 1 78 78 VAL N N 15 120.988 0.049 . 1 . 633 . . 78 VAL N . 25955 1 696 . 1 1 79 79 MET H H 1 8.615 0.015 . 1 . 637 . . 79 MET H . 25955 1 697 . 1 1 79 79 MET HA H 1 3.912 0.009 . 1 . 638 . . 79 MET HA . 25955 1 698 . 1 1 79 79 MET HB2 H 1 2.024 0.018 . 2 . 639 . . 79 MET HB2 . 25955 1 699 . 1 1 79 79 MET HB3 H 1 2.205 0.017 . 2 . 640 . . 79 MET HB3 . 25955 1 700 . 1 1 79 79 MET HG2 H 1 2.602 0.003 . 1 . 642 . . 79 MET HG2 . 25955 1 701 . 1 1 79 79 MET HG3 H 1 2.602 0.003 . 1 . 643 . . 79 MET HG3 . 25955 1 702 . 1 1 79 79 MET HE1 H 1 1.679 0.001 . 1 . 641 . . 79 MET HE1 . 25955 1 703 . 1 1 79 79 MET HE2 H 1 1.679 0.001 . 1 . 641 . . 79 MET HE2 . 25955 1 704 . 1 1 79 79 MET HE3 H 1 1.679 0.001 . 1 . 641 . . 79 MET HE3 . 25955 1 705 . 1 1 79 79 MET C C 13 177.993 0.001 . 1 . 634 . . 79 MET C . 25955 1 706 . 1 1 79 79 MET CA C 13 60.049 0.174 . 1 . 635 . . 79 MET CA . 25955 1 707 . 1 1 79 79 MET CB C 13 32.357 0.188 . 1 . 636 . . 79 MET CB . 25955 1 708 . 1 1 79 79 MET N N 15 119.093 0.036 . 1 . 644 . . 79 MET N . 25955 1 709 . 1 1 80 80 GLY H H 1 8.246 0.01 . 1 . 647 . . 80 GLY H . 25955 1 710 . 1 1 80 80 GLY HA2 H 1 3.896 0.004 . 2 . 648 . . 80 GLY HA2 . 25955 1 711 . 1 1 80 80 GLY HA3 H 1 3.982 0.003 . 2 . 649 . . 80 GLY HA3 . 25955 1 712 . 1 1 80 80 GLY C C 13 176.647 0.003 . 1 . 645 . . 80 GLY C . 25955 1 713 . 1 1 80 80 GLY CA C 13 46.976 0.13 . 1 . 646 . . 80 GLY CA . 25955 1 714 . 1 1 80 80 GLY N N 15 105.099 0.078 . 1 . 650 . . 80 GLY N . 25955 1 715 . 1 1 81 81 ARG H H 1 7.702 0.014 . 1 . 654 . . 81 ARG H . 25955 1 716 . 1 1 81 81 ARG HA H 1 4.240 0.007 . 1 . 655 . . 81 ARG HA . 25955 1 717 . 1 1 81 81 ARG HB2 H 1 2.012 0.001 . 1 . 656 . . 81 ARG HB2 . 25955 1 718 . 1 1 81 81 ARG HB3 H 1 2.012 0.001 . 1 . 657 . . 81 ARG HB3 . 25955 1 719 . 1 1 81 81 ARG HG2 H 1 1.908 0.004 . 2 . 659 . . 81 ARG HG2 . 25955 1 720 . 1 1 81 81 ARG HG3 H 1 1.910 0.004 . 2 . 660 . . 81 ARG HG3 . 25955 1 721 . 1 1 81 81 ARG HD2 H 1 3.288 0.001 . 1 . 658 . . 81 ARG HD2 . 25955 1 722 . 1 1 81 81 ARG C C 13 178.428 0.004 . 1 . 651 . . 81 ARG C . 25955 1 723 . 1 1 81 81 ARG CA C 13 58.413 . . 1 . 652 . . 81 ARG CA . 25955 1 724 . 1 1 81 81 ARG CB C 13 29.106 . . 1 . 653 . . 81 ARG CB . 25955 1 725 . 1 1 81 81 ARG N N 15 122.451 0.091 . 1 . 661 . . 81 ARG N . 25955 1 726 . 1 1 82 82 LEU H H 1 8.588 0.015 . 1 . 664 . . 82 LEU H . 25955 1 727 . 1 1 82 82 LEU HA H 1 3.974 0.009 . 1 . 665 . . 82 LEU HA . 25955 1 728 . 1 1 82 82 LEU HB2 H 1 2.244 0.003 . 2 . 666 . . 82 LEU HB2 . 25955 1 729 . 1 1 82 82 LEU HB3 H 1 2.247 0.005 . 2 . 667 . . 82 LEU HB3 . 25955 1 730 . 1 1 82 82 LEU HG H 1 1.517 0.003 . 1 . 670 . . 82 LEU HG . 25955 1 731 . 1 1 82 82 LEU HD11 H 1 0.815 0.004 . 2 . 668 . . 82 LEU HD11 . 25955 1 732 . 1 1 82 82 LEU HD12 H 1 0.815 0.004 . 2 . 668 . . 82 LEU HD12 . 25955 1 733 . 1 1 82 82 LEU HD13 H 1 0.815 0.004 . 2 . 668 . . 82 LEU HD13 . 25955 1 734 . 1 1 82 82 LEU HD21 H 1 0.864 0.006 . 2 . 669 . . 82 LEU HD21 . 25955 1 735 . 1 1 82 82 LEU HD22 H 1 0.864 0.006 . 2 . 669 . . 82 LEU HD22 . 25955 1 736 . 1 1 82 82 LEU HD23 H 1 0.864 0.006 . 2 . 669 . . 82 LEU HD23 . 25955 1 737 . 1 1 82 82 LEU CA C 13 58.150 0.065 . 1 . 662 . . 82 LEU CA . 25955 1 738 . 1 1 82 82 LEU CB C 13 41.613 0.13 . 1 . 663 . . 82 LEU CB . 25955 1 739 . 1 1 82 82 LEU N N 15 119.477 0.188 . 1 . 671 . . 82 LEU N . 25955 1 740 . 1 1 83 83 ASP H H 1 8.572 0.006 . 1 . 675 . . 83 ASP H . 25955 1 741 . 1 1 83 83 ASP HA H 1 4.414 0.008 . 1 . 676 . . 83 ASP HA . 25955 1 742 . 1 1 83 83 ASP HB2 H 1 2.665 0.004 . 2 . 677 . . 83 ASP HB2 . 25955 1 743 . 1 1 83 83 ASP HB3 H 1 2.885 0.009 . 2 . 678 . . 83 ASP HB3 . 25955 1 744 . 1 1 83 83 ASP C C 13 179.127 . . 1 . 672 . . 83 ASP C . 25955 1 745 . 1 1 83 83 ASP CA C 13 57.505 0.197 . 1 . 673 . . 83 ASP CA . 25955 1 746 . 1 1 83 83 ASP CB C 13 40.707 0.174 . 1 . 674 . . 83 ASP CB . 25955 1 747 . 1 1 83 83 ASP N N 15 119.788 0.069 . 1 . 679 . . 83 ASP N . 25955 1 748 . 1 1 84 84 LEU H H 1 7.522 0.007 . 1 . 683 . . 84 LEU H . 25955 1 749 . 1 1 84 84 LEU HA H 1 4.049 0.01 . 1 . 684 . . 84 LEU HA . 25955 1 750 . 1 1 84 84 LEU HB2 H 1 1.790 0.013 . 2 . 685 . . 84 LEU HB2 . 25955 1 751 . 1 1 84 84 LEU HB3 H 1 1.978 0.001 . 2 . 686 . . 84 LEU HB3 . 25955 1 752 . 1 1 84 84 LEU HG H 1 1.581 0.001 . 1 . 689 . . 84 LEU HG . 25955 1 753 . 1 1 84 84 LEU HD11 H 1 0.848 0.006 . 2 . 687 . . 84 LEU HD11 . 25955 1 754 . 1 1 84 84 LEU HD12 H 1 0.848 0.006 . 2 . 687 . . 84 LEU HD12 . 25955 1 755 . 1 1 84 84 LEU HD13 H 1 0.848 0.006 . 2 . 687 . . 84 LEU HD13 . 25955 1 756 . 1 1 84 84 LEU HD21 H 1 0.938 0.006 . 2 . 688 . . 84 LEU HD21 . 25955 1 757 . 1 1 84 84 LEU HD22 H 1 0.938 0.006 . 2 . 688 . . 84 LEU HD22 . 25955 1 758 . 1 1 84 84 LEU HD23 H 1 0.938 0.006 . 2 . 688 . . 84 LEU HD23 . 25955 1 759 . 1 1 84 84 LEU C C 13 179.581 0.001 . 1 . 680 . . 84 LEU C . 25955 1 760 . 1 1 84 84 LEU CA C 13 58.061 0.125 . 1 . 681 . . 84 LEU CA . 25955 1 761 . 1 1 84 84 LEU CB C 13 41.881 0.077 . 1 . 682 . . 84 LEU CB . 25955 1 762 . 1 1 84 84 LEU N N 15 120.795 0.077 . 1 . 690 . . 84 LEU N . 25955 1 763 . 1 1 85 85 ILE H H 1 8.145 0.011 . 1 . 694 . . 85 ILE H . 25955 1 764 . 1 1 85 85 ILE HA H 1 3.750 0.008 . 1 . 695 . . 85 ILE HA . 25955 1 765 . 1 1 85 85 ILE HB H 1 1.715 0.018 . 1 . 696 . . 85 ILE HB . 25955 1 766 . 1 1 85 85 ILE HG12 H 1 1.716 0.002 . 2 . 698 . . 85 ILE HG12 . 25955 1 767 . 1 1 85 85 ILE HG13 H 1 1.730 0.023 . 2 . 699 . . 85 ILE HG13 . 25955 1 768 . 1 1 85 85 ILE HG21 H 1 1.064 0.016 . 1 . 700 . . 85 ILE HG21 . 25955 1 769 . 1 1 85 85 ILE HG22 H 1 1.064 0.016 . 1 . 700 . . 85 ILE HG22 . 25955 1 770 . 1 1 85 85 ILE HG23 H 1 1.064 0.016 . 1 . 700 . . 85 ILE HG23 . 25955 1 771 . 1 1 85 85 ILE HD11 H 1 0.724 0.006 . 1 . 697 . . 85 ILE HD11 . 25955 1 772 . 1 1 85 85 ILE HD12 H 1 0.724 0.006 . 1 . 697 . . 85 ILE HD12 . 25955 1 773 . 1 1 85 85 ILE HD13 H 1 0.724 0.006 . 1 . 697 . . 85 ILE HD13 . 25955 1 774 . 1 1 85 85 ILE C C 13 180.159 0.003 . 1 . 691 . . 85 ILE C . 25955 1 775 . 1 1 85 85 ILE CA C 13 64.959 0.206 . 1 . 692 . . 85 ILE CA . 25955 1 776 . 1 1 85 85 ILE CB C 13 38.967 0.121 . 1 . 693 . . 85 ILE CB . 25955 1 777 . 1 1 85 85 ILE N N 15 120.224 0.091 . 1 . 701 . . 85 ILE N . 25955 1 778 . 1 1 86 86 ARG H H 1 8.566 0.009 . 1 . 705 . . 86 ARG H . 25955 1 779 . 1 1 86 86 ARG HA H 1 4.018 0.004 . 1 . 706 . . 86 ARG HA . 25955 1 780 . 1 1 86 86 ARG HB2 H 1 1.834 0.002 . 2 . 707 . . 86 ARG HB2 . 25955 1 781 . 1 1 86 86 ARG HB3 H 1 1.840 0.004 . 2 . 708 . . 86 ARG HB3 . 25955 1 782 . 1 1 86 86 ARG HG2 H 1 1.626 0.008 . 2 . 710 . . 86 ARG HG2 . 25955 1 783 . 1 1 86 86 ARG HG3 H 1 1.646 0.004 . 2 . 711 . . 86 ARG HG3 . 25955 1 784 . 1 1 86 86 ARG HE H 1 8.308 0.005 . 1 . 709 . . 86 ARG HE . 25955 1 785 . 1 1 86 86 ARG C C 13 177.624 0.001 . 1 . 702 . . 86 ARG C . 25955 1 786 . 1 1 86 86 ARG CA C 13 58.892 0.093 . 1 . 703 . . 86 ARG CA . 25955 1 787 . 1 1 86 86 ARG CB C 13 30.173 0.054 . 1 . 704 . . 86 ARG CB . 25955 1 788 . 1 1 86 86 ARG N N 15 119.705 0.052 . 1 . 712 . . 86 ARG N . 25955 1 789 . 1 1 87 87 SER H H 1 7.758 0.011 . 1 . 716 . . 87 SER H . 25955 1 790 . 1 1 87 87 SER HA H 1 4.443 0.011 . 1 . 717 . . 87 SER HA . 25955 1 791 . 1 1 87 87 SER HB2 H 1 3.999 0.009 . 2 . 718 . . 87 SER HB2 . 25955 1 792 . 1 1 87 87 SER HB3 H 1 4.071 0.005 . 2 . 719 . . 87 SER HB3 . 25955 1 793 . 1 1 87 87 SER C C 13 175.226 . . 1 . 713 . . 87 SER C . 25955 1 794 . 1 1 87 87 SER CA C 13 59.231 0.008 . 1 . 714 . . 87 SER CA . 25955 1 795 . 1 1 87 87 SER CB C 13 64.034 0.15 . 1 . 715 . . 87 SER CB . 25955 1 796 . 1 1 87 87 SER N N 15 112.746 0.072 . 1 . 720 . . 87 SER N . 25955 1 797 . 1 1 88 88 GLY H H 1 7.876 0.007 . 1 . 723 . . 88 GLY H . 25955 1 798 . 1 1 88 88 GLY HA2 H 1 3.921 0.01 . 2 . 724 . . 88 GLY HA2 . 25955 1 799 . 1 1 88 88 GLY HA3 H 1 4.087 0.01 . 2 . 725 . . 88 GLY HA3 . 25955 1 800 . 1 1 88 88 GLY C C 13 174.530 . . 1 . 721 . . 88 GLY C . 25955 1 801 . 1 1 88 88 GLY CA C 13 45.943 0.215 . 1 . 722 . . 88 GLY CA . 25955 1 802 . 1 1 88 88 GLY N N 15 110.002 0.063 . 1 . 726 . . 88 GLY N . 25955 1 803 . 1 1 89 89 GLN H H 1 7.857 0.009 . 1 . 730 . . 89 GLN H . 25955 1 804 . 1 1 89 89 GLN HA H 1 4.384 0.01 . 1 . 731 . . 89 GLN HA . 25955 1 805 . 1 1 89 89 GLN HB2 H 1 1.842 0.012 . 2 . 732 . . 89 GLN HB2 . 25955 1 806 . 1 1 89 89 GLN HB3 H 1 2.148 0.005 . 2 . 733 . . 89 GLN HB3 . 25955 1 807 . 1 1 89 89 GLN HG2 H 1 2.283 0.007 . 2 . 736 . . 89 GLN HG2 . 25955 1 808 . 1 1 89 89 GLN HG3 H 1 2.365 0.007 . 2 . 737 . . 89 GLN HG3 . 25955 1 809 . 1 1 89 89 GLN HE21 H 1 6.834 0.001 . 1 . 734 . . 89 GLN HE21 . 25955 1 810 . 1 1 89 89 GLN HE22 H 1 7.521 0.001 . 1 . 735 . . 89 GLN HE22 . 25955 1 811 . 1 1 89 89 GLN C C 13 175.336 0.001 . 1 . 727 . . 89 GLN C . 25955 1 812 . 1 1 89 89 GLN CA C 13 55.345 0.219 . 1 . 728 . . 89 GLN CA . 25955 1 813 . 1 1 89 89 GLN CB C 13 30.201 . . 1 . 729 . . 89 GLN CB . 25955 1 814 . 1 1 89 89 GLN N N 15 118.996 0.035 . 1 . 738 . . 89 GLN N . 25955 1 815 . 1 1 89 89 GLN NE2 N 15 112.655 0.016 . 1 . 739 . . 89 GLN NE2 . 25955 1 816 . 1 1 90 90 SER H H 1 8.247 0.008 . 1 . 743 . . 90 SER H . 25955 1 817 . 1 1 90 90 SER HA H 1 4.403 . . 1 . 744 . . 90 SER HA . 25955 1 818 . 1 1 90 90 SER HB2 H 1 3.793 0.01 . 1 . 745 . . 90 SER HB2 . 25955 1 819 . 1 1 90 90 SER HB3 H 1 3.793 0.01 . 1 . 746 . . 90 SER HB3 . 25955 1 820 . 1 1 90 90 SER C C 13 173.951 0.003 . 1 . 740 . . 90 SER C . 25955 1 821 . 1 1 90 90 SER CA C 13 58.390 0.046 . 1 . 741 . . 90 SER CA . 25955 1 822 . 1 1 90 90 SER CB C 13 63.605 . . 1 . 742 . . 90 SER CB . 25955 1 823 . 1 1 90 90 SER N N 15 115.979 0.079 . 1 . 747 . . 90 SER N . 25955 1 824 . 1 1 91 91 VAL H H 1 8.293 0.011 . 1 . 753 . . 91 VAL H . 25955 1 825 . 1 1 91 91 VAL HA H 1 4.406 0.006 . 1 . 754 . . 91 VAL HA . 25955 1 826 . 1 1 91 91 VAL HB H 1 2.061 0.008 . 1 . 755 . . 91 VAL HB . 25955 1 827 . 1 1 91 91 VAL HG11 H 1 0.945 0.01 . 2 . 756 . . 91 VAL HG11 . 25955 1 828 . 1 1 91 91 VAL HG12 H 1 0.945 0.01 . 2 . 756 . . 91 VAL HG12 . 25955 1 829 . 1 1 91 91 VAL HG13 H 1 0.945 0.01 . 2 . 756 . . 91 VAL HG13 . 25955 1 830 . 1 1 91 91 VAL HG21 H 1 0.950 0.014 . 2 . 757 . . 91 VAL HG21 . 25955 1 831 . 1 1 91 91 VAL HG22 H 1 0.950 0.014 . 2 . 757 . . 91 VAL HG22 . 25955 1 832 . 1 1 91 91 VAL HG23 H 1 0.950 0.014 . 2 . 757 . . 91 VAL HG23 . 25955 1 833 . 1 1 91 91 VAL C C 13 174.452 . . 1 . 748 . . 91 VAL C . 25955 1 834 . 1 1 91 91 VAL CA C 13 59.541 0.245 . 1 . 749 . . 91 VAL CA . 25955 1 835 . 1 1 91 91 VAL CB C 13 32.544 0.097 . 1 . 750 . . 91 VAL CB . 25955 1 836 . 1 1 91 91 VAL CG1 C 13 21.058 . . 1 . 751 . . 91 VAL CG1 . 25955 1 837 . 1 1 91 91 VAL CG2 C 13 21.058 . . 1 . 752 . . 91 VAL CG2 . 25955 1 838 . 1 1 91 91 VAL N N 15 122.595 0.081 . 1 . 758 . . 91 VAL N . 25955 1 839 . 1 1 92 92 PRO HA H 1 4.443 0.002 . 1 . 762 . . 92 PRO HA . 25955 1 840 . 1 1 92 92 PRO HD2 H 1 3.508 . . 2 . 763 . . 92 PRO HD2 . 25955 1 841 . 1 1 92 92 PRO HD3 H 1 3.883 0.019 . 2 . 764 . . 92 PRO HD3 . 25955 1 842 . 1 1 92 92 PRO C C 13 176.451 . . 1 . 759 . . 92 PRO C . 25955 1 843 . 1 1 92 92 PRO CA C 13 63.041 . . 1 . 760 . . 92 PRO CA . 25955 1 844 . 1 1 92 92 PRO CB C 13 32.169 . . 1 . 761 . . 92 PRO CB . 25955 1 845 . 1 1 93 93 GLU H H 1 8.524 0.004 . 1 . 768 . . 93 GLU H . 25955 1 846 . 1 1 93 93 GLU HA H 1 4.141 0.005 . 1 . 769 . . 93 GLU HA . 25955 1 847 . 1 1 93 93 GLU HB2 H 1 1.876 0.003 . 2 . 770 . . 93 GLU HB2 . 25955 1 848 . 1 1 93 93 GLU HB3 H 1 1.967 0.011 . 2 . 771 . . 93 GLU HB3 . 25955 1 849 . 1 1 93 93 GLU HG2 H 1 2.184 0.006 . 2 . 772 . . 93 GLU HG2 . 25955 1 850 . 1 1 93 93 GLU HG3 H 1 2.255 0.009 . 2 . 773 . . 93 GLU HG3 . 25955 1 851 . 1 1 93 93 GLU C C 13 178.074 . . 1 . 765 . . 93 GLU C . 25955 1 852 . 1 1 93 93 GLU CA C 13 57.030 0.228 . 1 . 766 . . 93 GLU CA . 25955 1 853 . 1 1 93 93 GLU CB C 13 29.946 . . 1 . 767 . . 93 GLU CB . 25955 1 854 . 1 1 93 93 GLU N N 15 120.287 0.109 . 1 . 774 . . 93 GLU N . 25955 1 855 . 1 1 94 94 HIS H H 1 7.895 0.017 . 1 . 778 . . 94 HIS H . 25955 1 856 . 1 1 94 94 HIS HA H 1 4.613 0.003 . 1 . 779 . . 94 HIS HA . 25955 1 857 . 1 1 94 94 HIS HB2 H 1 3.053 0.002 . 2 . 780 . . 94 HIS HB2 . 25955 1 858 . 1 1 94 94 HIS HB3 H 1 3.114 0.005 . 2 . 781 . . 94 HIS HB3 . 25955 1 859 . 1 1 94 94 HIS HD2 H 1 6.994 0.001 . 1 . 782 . . 94 HIS HD2 . 25955 1 860 . 1 1 94 94 HIS HE1 H 1 6.408 . . 1 . 783 . . 94 HIS HE1 . 25955 1 861 . 1 1 94 94 HIS C C 13 174.718 . . 1 . 775 . . 94 HIS C . 25955 1 862 . 1 1 94 94 HIS CA C 13 55.543 0.012 . 1 . 776 . . 94 HIS CA . 25955 1 863 . 1 1 94 94 HIS CB C 13 30.765 0.031 . 1 . 777 . . 94 HIS CB . 25955 1 864 . 1 1 94 94 HIS N N 15 117.970 0.12 . 1 . 784 . . 94 HIS N . 25955 1 865 . 1 1 95 95 ASP H H 1 8.492 0.012 . 1 . 788 . . 95 ASP H . 25955 1 866 . 1 1 95 95 ASP HA H 1 4.580 0.009 . 1 . 789 . . 95 ASP HA . 25955 1 867 . 1 1 95 95 ASP HB2 H 1 2.581 0.004 . 2 . 790 . . 95 ASP HB2 . 25955 1 868 . 1 1 95 95 ASP HB3 H 1 2.654 0.011 . 2 . 791 . . 95 ASP HB3 . 25955 1 869 . 1 1 95 95 ASP C C 13 176.868 0.001 . 1 . 785 . . 95 ASP C . 25955 1 870 . 1 1 95 95 ASP CA C 13 54.435 0.206 . 1 . 786 . . 95 ASP CA . 25955 1 871 . 1 1 95 95 ASP CB C 13 41.546 0.165 . 1 . 787 . . 95 ASP CB . 25955 1 872 . 1 1 95 95 ASP N N 15 122.558 0.051 . 1 . 792 . . 95 ASP N . 25955 1 873 . 1 1 96 96 VAL H H 1 8.233 0.011 . 1 . 796 . . 96 VAL H . 25955 1 874 . 1 1 96 96 VAL HA H 1 3.975 0.008 . 1 . 797 . . 96 VAL HA . 25955 1 875 . 1 1 96 96 VAL HB H 1 2.058 0.012 . 1 . 798 . . 96 VAL HB . 25955 1 876 . 1 1 96 96 VAL HG11 H 1 0.918 0.012 . 2 . 799 . . 96 VAL HG11 . 25955 1 877 . 1 1 96 96 VAL HG12 H 1 0.918 0.012 . 2 . 799 . . 96 VAL HG12 . 25955 1 878 . 1 1 96 96 VAL HG13 H 1 0.918 0.012 . 2 . 799 . . 96 VAL HG13 . 25955 1 879 . 1 1 96 96 VAL HG21 H 1 0.923 0.011 . 2 . 800 . . 96 VAL HG21 . 25955 1 880 . 1 1 96 96 VAL HG22 H 1 0.923 0.011 . 2 . 800 . . 96 VAL HG22 . 25955 1 881 . 1 1 96 96 VAL HG23 H 1 0.923 0.011 . 2 . 800 . . 96 VAL HG23 . 25955 1 882 . 1 1 96 96 VAL C C 13 175.532 0.002 . 1 . 793 . . 96 VAL C . 25955 1 883 . 1 1 96 96 VAL CA C 13 63.047 0.048 . 1 . 794 . . 96 VAL CA . 25955 1 884 . 1 1 96 96 VAL CB C 13 32.470 0.129 . 1 . 795 . . 96 VAL CB . 25955 1 885 . 1 1 96 96 VAL N N 15 122.029 0.073 . 1 . 801 . . 96 VAL N . 25955 1 886 . 1 1 97 97 ALA H H 1 8.436 0.004 . 1 . 805 . . 97 ALA H . 25955 1 887 . 1 1 97 97 ALA HA H 1 4.258 0.002 . 1 . 806 . . 97 ALA HA . 25955 1 888 . 1 1 97 97 ALA HB1 H 1 1.332 0.007 . 1 . 807 . . 97 ALA HB1 . 25955 1 889 . 1 1 97 97 ALA HB2 H 1 1.332 0.007 . 1 . 807 . . 97 ALA HB2 . 25955 1 890 . 1 1 97 97 ALA HB3 H 1 1.332 0.007 . 1 . 807 . . 97 ALA HB3 . 25955 1 891 . 1 1 97 97 ALA C C 13 177.029 0.003 . 1 . 802 . . 97 ALA C . 25955 1 892 . 1 1 97 97 ALA CA C 13 52.150 0.117 . 1 . 803 . . 97 ALA CA . 25955 1 893 . 1 1 97 97 ALA CB C 13 19.107 0.242 . 1 . 804 . . 97 ALA CB . 25955 1 894 . 1 1 97 97 ALA N N 15 125.822 0.121 . 1 . 808 . . 97 ALA N . 25955 1 895 . 1 1 98 98 ALA H H 1 7.971 0.011 . 1 . 810 . . 98 ALA H . 25955 1 896 . 1 1 98 98 ALA HA H 1 4.256 0.002 . 1 . 811 . . 98 ALA HA . 25955 1 897 . 1 1 98 98 ALA HB1 H 1 1.338 . . 1 . 812 . . 98 ALA HB1 . 25955 1 898 . 1 1 98 98 ALA HB2 H 1 1.338 . . 1 . 812 . . 98 ALA HB2 . 25955 1 899 . 1 1 98 98 ALA HB3 H 1 1.338 . . 1 . 812 . . 98 ALA HB3 . 25955 1 900 . 1 1 98 98 ALA C C 13 176.879 0.001 . 1 . 809 . . 98 ALA C . 25955 1 901 . 1 1 98 98 ALA N N 15 123.010 0.097 . 1 . 813 . . 98 ALA N . 25955 1 902 . 1 1 99 99 ALA H H 1 8.215 0.003 . 1 . 816 . . 99 ALA H . 25955 1 903 . 1 1 99 99 ALA HA H 1 4.535 . . 1 . 817 . . 99 ALA HA . 25955 1 904 . 1 1 99 99 ALA HB1 H 1 1.332 0.002 . 1 . 818 . . 99 ALA HB1 . 25955 1 905 . 1 1 99 99 ALA HB2 H 1 1.332 0.002 . 1 . 818 . . 99 ALA HB2 . 25955 1 906 . 1 1 99 99 ALA HB3 H 1 1.332 0.002 . 1 . 818 . . 99 ALA HB3 . 25955 1 907 . 1 1 99 99 ALA C C 13 175.525 . . 1 . 814 . . 99 ALA C . 25955 1 908 . 1 1 99 99 ALA CA C 13 52.147 0.158 . 1 . 815 . . 99 ALA CA . 25955 1 909 . 1 1 99 99 ALA N N 15 124.797 0.068 . 1 . 819 . . 99 ALA N . 25955 1 910 . 1 1 100 100 PRO HA H 1 4.389 0.011 . 1 . 823 . . 100 PRO HA . 25955 1 911 . 1 1 100 100 PRO HD2 H 1 3.613 0.004 . 2 . 824 . . 100 PRO HD2 . 25955 1 912 . 1 1 100 100 PRO HD3 H 1 3.741 0.003 . 2 . 825 . . 100 PRO HD3 . 25955 1 913 . 1 1 100 100 PRO C C 13 177.069 . . 1 . 820 . . 100 PRO C . 25955 1 914 . 1 1 100 100 PRO CA C 13 63.062 . . 1 . 821 . . 100 PRO CA . 25955 1 915 . 1 1 100 100 PRO CB C 13 32.025 . . 1 . 822 . . 100 PRO CB . 25955 1 916 . 1 1 101 101 SER H H 1 8.450 0.005 . 1 . 829 . . 101 SER H . 25955 1 917 . 1 1 101 101 SER HA H 1 4.420 0.013 . 1 . 830 . . 101 SER HA . 25955 1 918 . 1 1 101 101 SER HB2 H 1 3.828 . . 2 . 831 . . 101 SER HB2 . 25955 1 919 . 1 1 101 101 SER HB3 H 1 3.888 . . 2 . 832 . . 101 SER HB3 . 25955 1 920 . 1 1 101 101 SER C C 13 174.822 0.07 . 1 . 826 . . 101 SER C . 25955 1 921 . 1 1 101 101 SER CA C 13 58.299 0.029 . 1 . 827 . . 101 SER CA . 25955 1 922 . 1 1 101 101 SER CB C 13 63.793 0.047 . 1 . 828 . . 101 SER CB . 25955 1 923 . 1 1 101 101 SER N N 15 116.269 0.075 . 1 . 833 . . 101 SER N . 25955 1 924 . 1 1 102 102 SER H H 1 8.379 0.006 . 1 . 836 . . 102 SER H . 25955 1 925 . 1 1 102 102 SER HA H 1 4.502 0.005 . 1 . 837 . . 102 SER HA . 25955 1 926 . 1 1 102 102 SER HB2 H 1 3.887 . . 2 . 838 . . 102 SER HB2 . 25955 1 927 . 1 1 102 102 SER HB3 H 1 3.893 0.006 . 2 . 839 . . 102 SER HB3 . 25955 1 928 . 1 1 102 102 SER CA C 13 58.300 . . 1 . 834 . . 102 SER CA . 25955 1 929 . 1 1 102 102 SER CB C 13 63.839 0.002 . 1 . 835 . . 102 SER CB . 25955 1 930 . 1 1 102 102 SER N N 15 117.801 0.082 . 1 . 840 . . 102 SER N . 25955 1 931 . 1 1 103 103 SER H H 1 8.305 0.003 . 1 . 844 . . 103 SER H . 25955 1 932 . 1 1 103 103 SER HA H 1 4.446 0.017 . 1 . 845 . . 103 SER HA . 25955 1 933 . 1 1 103 103 SER HB2 H 1 3.836 0.006 . 1 . 846 . . 103 SER HB2 . 25955 1 934 . 1 1 103 103 SER HB3 H 1 3.836 0.006 . 1 . 847 . . 103 SER HB3 . 25955 1 935 . 1 1 103 103 SER C C 13 173.633 . . 1 . 841 . . 103 SER C . 25955 1 936 . 1 1 103 103 SER CA C 13 58.164 0.022 . 1 . 842 . . 103 SER CA . 25955 1 937 . 1 1 103 103 SER CB C 13 63.934 0.013 . 1 . 843 . . 103 SER CB . 25955 1 938 . 1 1 103 103 SER N N 15 117.799 0.113 . 1 . 848 . . 103 SER N . 25955 1 939 . 1 1 104 104 ALA H H 1 8.229 0.007 . 1 . 852 . . 104 ALA H . 25955 1 940 . 1 1 104 104 ALA HA H 1 4.585 0.004 . 1 . 853 . . 104 ALA HA . 25955 1 941 . 1 1 104 104 ALA HB1 H 1 1.331 0.004 . 1 . 854 . . 104 ALA HB1 . 25955 1 942 . 1 1 104 104 ALA HB2 H 1 1.331 0.004 . 1 . 854 . . 104 ALA HB2 . 25955 1 943 . 1 1 104 104 ALA HB3 H 1 1.331 0.004 . 1 . 854 . . 104 ALA HB3 . 25955 1 944 . 1 1 104 104 ALA C C 13 175.374 . . 1 . 849 . . 104 ALA C . 25955 1 945 . 1 1 104 104 ALA CA C 13 50.575 0.01 . 1 . 850 . . 104 ALA CA . 25955 1 946 . 1 1 104 104 ALA CB C 13 18.200 0.089 . 1 . 851 . . 104 ALA CB . 25955 1 947 . 1 1 104 104 ALA N N 15 127.188 0.056 . 1 . 855 . . 104 ALA N . 25955 1 948 . 1 1 105 105 PRO HA H 1 4.377 0.004 . 1 . 859 . . 105 PRO HA . 25955 1 949 . 1 1 105 105 PRO HD2 H 1 3.616 0.002 . 2 . 860 . . 105 PRO HD2 . 25955 1 950 . 1 1 105 105 PRO HD3 H 1 3.771 0.001 . 2 . 861 . . 105 PRO HD3 . 25955 1 951 . 1 1 105 105 PRO C C 13 176.871 . . 1 . 856 . . 105 PRO C . 25955 1 952 . 1 1 105 105 PRO CA C 13 63.120 0.019 . 1 . 857 . . 105 PRO CA . 25955 1 953 . 1 1 105 105 PRO CB C 13 31.997 . . 1 . 858 . . 105 PRO CB . 25955 1 954 . 1 1 106 106 GLN H H 1 8.508 0.004 . 1 . 865 . . 106 GLN H . 25955 1 955 . 1 1 106 106 GLN HA H 1 4.308 0.003 . 1 . 866 . . 106 GLN HA . 25955 1 956 . 1 1 106 106 GLN HB2 H 1 1.968 0.006 . 2 . 867 . . 106 GLN HB2 . 25955 1 957 . 1 1 106 106 GLN HB3 H 1 2.090 0.007 . 2 . 868 . . 106 GLN HB3 . 25955 1 958 . 1 1 106 106 GLN HG2 H 1 2.372 0.005 . 2 . 869 . . 106 GLN HG2 . 25955 1 959 . 1 1 106 106 GLN HG3 H 1 2.380 . . 2 . 870 . . 106 GLN HG3 . 25955 1 960 . 1 1 106 106 GLN C C 13 175.926 0.001 . 1 . 862 . . 106 GLN C . 25955 1 961 . 1 1 106 106 GLN CA C 13 55.725 0.031 . 1 . 863 . . 106 GLN CA . 25955 1 962 . 1 1 106 106 GLN CB C 13 29.650 0.057 . 1 . 864 . . 106 GLN CB . 25955 1 963 . 1 1 106 106 GLN N N 15 120.873 0.068 . 1 . 871 . . 106 GLN N . 25955 1 964 . 1 1 107 107 GLU H H 1 8.471 0.003 . 1 . 875 . . 107 GLU H . 25955 1 965 . 1 1 107 107 GLU HA H 1 4.328 0.007 . 1 . 876 . . 107 GLU HA . 25955 1 966 . 1 1 107 107 GLU HB2 H 1 1.913 0.006 . 2 . 877 . . 107 GLU HB2 . 25955 1 967 . 1 1 107 107 GLU HB3 H 1 2.082 0.006 . 2 . 878 . . 107 GLU HB3 . 25955 1 968 . 1 1 107 107 GLU HG2 H 1 2.242 0.006 . 2 . 879 . . 107 GLU HG2 . 25955 1 969 . 1 1 107 107 GLU HG3 H 1 2.250 0.002 . 2 . 880 . . 107 GLU HG3 . 25955 1 970 . 1 1 107 107 GLU C C 13 175.580 0.003 . 1 . 872 . . 107 GLU C . 25955 1 971 . 1 1 107 107 GLU CA C 13 56.593 0.018 . 1 . 873 . . 107 GLU CA . 25955 1 972 . 1 1 107 107 GLU CB C 13 30.508 0.18 . 1 . 874 . . 107 GLU CB . 25955 1 973 . 1 1 107 107 GLU N N 15 123.034 0.044 . 1 . 881 . . 107 GLU N . 25955 1 974 . 1 1 108 108 SER H H 1 7.998 0.004 . 1 . 884 . . 108 SER H . 25955 1 975 . 1 1 108 108 SER HA H 1 4.237 0.005 . 1 . 885 . . 108 SER HA . 25955 1 976 . 1 1 108 108 SER HB2 H 1 3.822 0.008 . 1 . 886 . . 108 SER HB2 . 25955 1 977 . 1 1 108 108 SER HB3 H 1 3.822 0.008 . 1 . 887 . . 108 SER HB3 . 25955 1 978 . 1 1 108 108 SER CA C 13 60.115 0.155 . 1 . 882 . . 108 SER CA . 25955 1 979 . 1 1 108 108 SER CB C 13 64.846 . . 1 . 883 . . 108 SER CB . 25955 1 980 . 1 1 108 108 SER N N 15 122.436 0.043 . 1 . 888 . . 108 SER N . 25955 1 stop_ save_