data_36086 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36086 _Entry.Title ; Solution structure of the major fish allergen parvalbumin Sco j 1 derived from the Pacific mackerel ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-05-22 _Entry.Accession_date 2017-08-30 _Entry.Last_release_date 2017-08-30 _Entry.Original_release_date 2017-08-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1.1.99 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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 H. Kumeta H. . . . 36086 2 H. Nakayama H. . . . 36086 3 K. Ogura K. . . . 36086 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'STRUCTURE FROM CYANA 2.1' . 36086 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36086 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 458 36086 '15N chemical shifts' 113 36086 '1H chemical shifts' 746 36086 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-12-26 . original BMRB . 36086 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5XND 'BMRB Entry Tracking System' 36086 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36086 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29215073 _Citation.Full_citation . _Citation.Title ; Solution structure of the major fish allergen parvalbumin Sco j 1 derived from the Pacific mackerel ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 17160 _Citation.Page_last 17160 _Citation.Year 2017 _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 H. Kumeta H. . . . 36086 1 2 H. Nakayama H. . . . 36086 1 3 K. Ogura K. . . . 36086 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36086 _Assembly.ID 1 _Assembly.Name 'Parvalbumin beta' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 entity_1 1 $entity_1 A A yes . . . . . . 36086 1 2 entity_CA_1 2 $entity_CA B B no . . . . . . 36086 1 3 entity_CA_2 2 $entity_CA C C no . . . . . . 36086 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 'metal coordination' single . 1 entity_1 1 ASP 57 57 OD1 . 2 entity_CA_1 2 CA 1 1 CA . . . 52 ASP . . . . 201 CA . 36086 1 2 'metal coordination' single . 1 entity_1 1 ASP 59 59 OD1 . 2 entity_CA_1 2 CA 1 1 CA . . . 54 ASP . . . . 201 CA . 36086 1 3 'metal coordination' single . 1 entity_1 1 SER 61 61 OG . 2 entity_CA_1 2 CA 1 1 CA . . . 56 SER . . . . 201 CA . 36086 1 4 'metal coordination' single . 1 entity_1 1 PHE 63 63 O . 2 entity_CA_1 2 CA 1 1 CA . . . 58 PHE . . . . 201 CA . 36086 1 5 'metal coordination' single . 1 entity_1 1 GLU 68 68 OE1 . 2 entity_CA_1 2 CA 1 1 CA . . . 63 GLU . . . . 201 CA . 36086 1 6 'metal coordination' single . 1 entity_1 1 GLU 68 68 OE2 . 2 entity_CA_1 2 CA 1 1 CA . . . 63 GLU . . . . 201 CA . 36086 1 7 'metal coordination' single . 1 entity_1 1 ASP 96 96 OD1 . 3 entity_CA_2 2 CA 1 1 CA . . . 91 ASP . . . . 202 CA . 36086 1 8 'metal coordination' single . 1 entity_1 1 ASP 98 98 OD1 . 3 entity_CA_2 2 CA 1 1 CA . . . 93 ASP . . . . 202 CA . 36086 1 9 'metal coordination' single . 1 entity_1 1 ASP 100 100 OD1 . 3 entity_CA_2 2 CA 1 1 CA . . . 95 ASP . . . . 202 CA . 36086 1 10 'metal coordination' single . 1 entity_1 1 LYS 102 102 O . 3 entity_CA_2 2 CA 1 1 CA . . . 97 LYS . . . . 202 CA . 36086 1 11 'metal coordination' single . 1 entity_1 1 GLU 107 107 OE1 . 3 entity_CA_2 2 CA 1 1 CA . . . 102 GLU . . . . 202 CA . 36086 1 12 'metal coordination' single . 1 entity_1 1 GLU 107 107 OE2 . 3 entity_CA_2 2 CA 1 1 CA . . . 102 GLU . . . . 202 CA . 36086 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36086 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Parvalbumin beta' _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 ; GPLGSMAFASVLKDAEVTAA LDGCKAAGSFDHKKFFKACG LSGKSTDEVKKAFAIIDQDK SGFIEEEELKLFLQNFKAGA RALSDAETKAFLKAGDSDGD GKIGIDEFAAMIKG ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11973.583 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . 36086 1 2 . PRO . 36086 1 3 . LEU . 36086 1 4 . GLY . 36086 1 5 0 SER . 36086 1 6 1 MET . 36086 1 7 2 ALA . 36086 1 8 3 PHE . 36086 1 9 4 ALA . 36086 1 10 5 SER . 36086 1 11 6 VAL . 36086 1 12 7 LEU . 36086 1 13 8 LYS . 36086 1 14 9 ASP . 36086 1 15 10 ALA . 36086 1 16 11 GLU . 36086 1 17 12 VAL . 36086 1 18 13 THR . 36086 1 19 14 ALA . 36086 1 20 15 ALA . 36086 1 21 16 LEU . 36086 1 22 17 ASP . 36086 1 23 18 GLY . 36086 1 24 19 CYS . 36086 1 25 20 LYS . 36086 1 26 21 ALA . 36086 1 27 22 ALA . 36086 1 28 23 GLY . 36086 1 29 24 SER . 36086 1 30 25 PHE . 36086 1 31 26 ASP . 36086 1 32 27 HIS . 36086 1 33 28 LYS . 36086 1 34 29 LYS . 36086 1 35 30 PHE . 36086 1 36 31 PHE . 36086 1 37 32 LYS . 36086 1 38 33 ALA . 36086 1 39 34 CYS . 36086 1 40 35 GLY . 36086 1 41 36 LEU . 36086 1 42 37 SER . 36086 1 43 38 GLY . 36086 1 44 39 LYS . 36086 1 45 40 SER . 36086 1 46 41 THR . 36086 1 47 42 ASP . 36086 1 48 43 GLU . 36086 1 49 44 VAL . 36086 1 50 45 LYS . 36086 1 51 46 LYS . 36086 1 52 47 ALA . 36086 1 53 48 PHE . 36086 1 54 49 ALA . 36086 1 55 50 ILE . 36086 1 56 51 ILE . 36086 1 57 52 ASP . 36086 1 58 53 GLN . 36086 1 59 54 ASP . 36086 1 60 55 LYS . 36086 1 61 56 SER . 36086 1 62 57 GLY . 36086 1 63 58 PHE . 36086 1 64 59 ILE . 36086 1 65 60 GLU . 36086 1 66 61 GLU . 36086 1 67 62 GLU . 36086 1 68 63 GLU . 36086 1 69 64 LEU . 36086 1 70 65 LYS . 36086 1 71 66 LEU . 36086 1 72 67 PHE . 36086 1 73 68 LEU . 36086 1 74 69 GLN . 36086 1 75 70 ASN . 36086 1 76 71 PHE . 36086 1 77 72 LYS . 36086 1 78 73 ALA . 36086 1 79 74 GLY . 36086 1 80 75 ALA . 36086 1 81 76 ARG . 36086 1 82 77 ALA . 36086 1 83 78 LEU . 36086 1 84 79 SER . 36086 1 85 80 ASP . 36086 1 86 81 ALA . 36086 1 87 82 GLU . 36086 1 88 83 THR . 36086 1 89 84 LYS . 36086 1 90 85 ALA . 36086 1 91 86 PHE . 36086 1 92 87 LEU . 36086 1 93 88 LYS . 36086 1 94 89 ALA . 36086 1 95 90 GLY . 36086 1 96 91 ASP . 36086 1 97 92 SER . 36086 1 98 93 ASP . 36086 1 99 94 GLY . 36086 1 100 95 ASP . 36086 1 101 96 GLY . 36086 1 102 97 LYS . 36086 1 103 98 ILE . 36086 1 104 99 GLY . 36086 1 105 100 ILE . 36086 1 106 101 ASP . 36086 1 107 102 GLU . 36086 1 108 103 PHE . 36086 1 109 104 ALA . 36086 1 110 105 ALA . 36086 1 111 106 MET . 36086 1 112 107 ILE . 36086 1 113 108 LYS . 36086 1 114 109 GLY . 36086 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 36086 1 . PRO 2 2 36086 1 . LEU 3 3 36086 1 . GLY 4 4 36086 1 . SER 5 5 36086 1 . MET 6 6 36086 1 . ALA 7 7 36086 1 . PHE 8 8 36086 1 . ALA 9 9 36086 1 . SER 10 10 36086 1 . VAL 11 11 36086 1 . LEU 12 12 36086 1 . LYS 13 13 36086 1 . ASP 14 14 36086 1 . ALA 15 15 36086 1 . GLU 16 16 36086 1 . VAL 17 17 36086 1 . THR 18 18 36086 1 . ALA 19 19 36086 1 . ALA 20 20 36086 1 . LEU 21 21 36086 1 . ASP 22 22 36086 1 . GLY 23 23 36086 1 . CYS 24 24 36086 1 . LYS 25 25 36086 1 . ALA 26 26 36086 1 . ALA 27 27 36086 1 . GLY 28 28 36086 1 . SER 29 29 36086 1 . PHE 30 30 36086 1 . ASP 31 31 36086 1 . HIS 32 32 36086 1 . LYS 33 33 36086 1 . LYS 34 34 36086 1 . PHE 35 35 36086 1 . PHE 36 36 36086 1 . LYS 37 37 36086 1 . ALA 38 38 36086 1 . CYS 39 39 36086 1 . GLY 40 40 36086 1 . LEU 41 41 36086 1 . SER 42 42 36086 1 . GLY 43 43 36086 1 . LYS 44 44 36086 1 . SER 45 45 36086 1 . THR 46 46 36086 1 . ASP 47 47 36086 1 . GLU 48 48 36086 1 . VAL 49 49 36086 1 . LYS 50 50 36086 1 . LYS 51 51 36086 1 . ALA 52 52 36086 1 . PHE 53 53 36086 1 . ALA 54 54 36086 1 . ILE 55 55 36086 1 . ILE 56 56 36086 1 . ASP 57 57 36086 1 . GLN 58 58 36086 1 . ASP 59 59 36086 1 . LYS 60 60 36086 1 . SER 61 61 36086 1 . GLY 62 62 36086 1 . PHE 63 63 36086 1 . ILE 64 64 36086 1 . GLU 65 65 36086 1 . GLU 66 66 36086 1 . GLU 67 67 36086 1 . GLU 68 68 36086 1 . LEU 69 69 36086 1 . LYS 70 70 36086 1 . LEU 71 71 36086 1 . PHE 72 72 36086 1 . LEU 73 73 36086 1 . GLN 74 74 36086 1 . ASN 75 75 36086 1 . PHE 76 76 36086 1 . LYS 77 77 36086 1 . ALA 78 78 36086 1 . GLY 79 79 36086 1 . ALA 80 80 36086 1 . ARG 81 81 36086 1 . ALA 82 82 36086 1 . LEU 83 83 36086 1 . SER 84 84 36086 1 . ASP 85 85 36086 1 . ALA 86 86 36086 1 . GLU 87 87 36086 1 . THR 88 88 36086 1 . LYS 89 89 36086 1 . ALA 90 90 36086 1 . PHE 91 91 36086 1 . LEU 92 92 36086 1 . LYS 93 93 36086 1 . ALA 94 94 36086 1 . GLY 95 95 36086 1 . ASP 96 96 36086 1 . SER 97 97 36086 1 . ASP 98 98 36086 1 . GLY 99 99 36086 1 . ASP 100 100 36086 1 . GLY 101 101 36086 1 . LYS 102 102 36086 1 . ILE 103 103 36086 1 . GLY 104 104 36086 1 . ILE 105 105 36086 1 . ASP 106 106 36086 1 . GLU 107 107 36086 1 . PHE 108 108 36086 1 . ALA 109 109 36086 1 . ALA 110 110 36086 1 . MET 111 111 36086 1 . ILE 112 112 36086 1 . LYS 113 113 36086 1 . GLY 114 114 36086 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 36086 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _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 CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _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 'CALCIUM ION' BMRB 36086 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 36086 2 CA 'Three letter code' 36086 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 CA $chem_comp_CA 36086 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 36086 _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 $entity_1 . 13676 . . 'Scomber japonicus' 'Chub mackerel' . . Eukaryota Metazoa Scomber japonicus . . . . . . . . . . . . . 36086 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 36086 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 36086 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 36086 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _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 CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/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 Ca _Chem_comp.Formula_weight 40.078 _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 BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 36086 CA InChI=1S/Ca/q+2 InChI InChI 1.03 36086 CA [Ca++] SMILES CACTVS 3.341 36086 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 36086 CA [Ca+2] SMILES ACDLabs 10.04 36086 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 36086 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 36086 CA 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 calcium 'SYSTEMATIC NAME' ACDLabs 10.04 36086 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 36086 CA 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 CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 36086 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36086 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-13C; U-15N] Sco j 1, 7 % [U-2H] D2O, 20 mM MES, 150 mM sodium chloride, 10 mM CaCl2, 93% H2O/7% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _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 'Sco j 1' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.5 . . mM . . . . 36086 1 2 CaCl2 'natural abundance' . . . . . salt 10 . . mM . . . . 36086 1 3 'sodium chloride' 'natural abundance' . . . . . salt 150 . . mM . . . . 36086 1 4 MES 'natural abundance' . . . . . buffer 20 . . mM . . . . 36086 1 5 H2O 'natural abundance' . . . . . solvent 93 . . % . . . . 36086 1 6 D2O [U-2H] . . . . . solvent 7 . . % . . . . 36086 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 36086 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 180 . mM 36086 1 pH 6.8 . pH 36086 1 pressure 1 . atm 36086 1 temperature 298 . K 36086 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36086 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36086 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 36086 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36086 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 8.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36086 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 36086 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36086 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version 3.113 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 36086 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 36086 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36086 _Software.ID 4 _Software.Type . _Software.Name TALOS+ _Software.Version 3.80F1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Delaglio, Cornilescu, Bax' . . 36086 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 36086 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36086 _Software.ID 5 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36086 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 36086 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 36086 _Software.ID 6 _Software.Type . _Software.Name VNMR _Software.Version 6.1C _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 36086 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 36086 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36086 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details migi _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AvanceIII HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36086 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details libra _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 36086 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details scorpio _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 36086 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AvanceIII HD' . 800 . . . 36086 1 2 NMR_spectrometer_2 Varian UNITY . 600 . . . 36086 1 3 NMR_spectrometer_3 Varian UNITY . 500 . . . 36086 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 36086 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36086 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36086 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 36086 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36086 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36086 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36086 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36086 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36086 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36086 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36086 1 11 '3D HN(CA)HA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36086 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36086 1 13 '3D 3D HCCH-TOCSY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36086 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36086 1 15 '2D HbCbCgCdHd' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36086 1 16 '2D HbCbCgCdCeHe' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36086 1 17 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 36086 1 18 '3D HCCH-TOCSY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 36086 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 36086 _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 0.000 internal indirect 0.251449530 . . . . . 36086 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36086 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36086 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36086 _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 $chem_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 . _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 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36086 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 36086 1 3 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 36086 1 4 '3D HNCO' 1 $sample_1 isotropic 36086 1 5 '3D HN(CO)CA' 1 $sample_1 isotropic 36086 1 6 '3D HNCA' 1 $sample_1 isotropic 36086 1 7 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36086 1 8 '3D HNCACB' 1 $sample_1 isotropic 36086 1 9 '3D C(CO)NH' 1 $sample_1 isotropic 36086 1 10 '3D HBHA(CO)NH' 1 $sample_1 isotropic 36086 1 11 '3D HN(CA)HA' 1 $sample_1 isotropic 36086 1 12 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36086 1 13 '3D 3D HCCH-TOCSY aliphatic' 1 $sample_1 isotropic 36086 1 14 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 36086 1 15 '2D HbCbCgCdHd' 1 $sample_1 isotropic 36086 1 16 '2D HbCbCgCdCeHe' 1 $sample_1 isotropic 36086 1 17 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 36086 1 18 '3D HCCH-TOCSY aromatic' 1 $sample_1 isotropic 36086 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.Ambiguity_set_ID _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 5 5 SER H H 1 8.256 . . . . . . . A 0 SER H . 36086 1 2 . 1 1 5 5 SER HA H 1 4.466 . . . . . . . A 0 SER HA . 36086 1 3 . 1 1 5 5 SER HB2 H 1 3.877 . . . . . . . A 0 SER HB2 . 36086 1 4 . 1 1 5 5 SER HB3 H 1 3.877 . . . . . . . A 0 SER HB3 . 36086 1 5 . 1 1 5 5 SER C C 13 174.885 . . . . . . . A 0 SER C . 36086 1 6 . 1 1 5 5 SER CA C 13 58.789 . . . . . . . A 0 SER CA . 36086 1 7 . 1 1 5 5 SER CB C 13 63.869 . . . . . . . A 0 SER CB . 36086 1 8 . 1 1 5 5 SER N N 15 115.628 . . . . . . . A 0 SER N . 36086 1 9 . 1 1 6 6 MET H H 1 8.345 . . . . . . . A 1 MET H . 36086 1 10 . 1 1 6 6 MET HA H 1 4.584 . . . . . . . A 1 MET HA . 36086 1 11 . 1 1 6 6 MET HB2 H 1 2.054 . . . . . . . A 1 MET HB2 . 36086 1 12 . 1 1 6 6 MET HB3 H 1 2.220 . . . . . . . A 1 MET HB3 . 36086 1 13 . 1 1 6 6 MET HG2 H 1 2.549 . . . . . . . A 1 MET HG2 . 36086 1 14 . 1 1 6 6 MET HG3 H 1 2.648 . . . . . . . A 1 MET HG3 . 36086 1 15 . 1 1 6 6 MET HE1 H 1 2.063 . . . . . . . A 1 MET HE1 . 36086 1 16 . 1 1 6 6 MET HE2 H 1 2.063 . . . . . . . A 1 MET HE2 . 36086 1 17 . 1 1 6 6 MET HE3 H 1 2.063 . . . . . . . A 1 MET HE3 . 36086 1 18 . 1 1 6 6 MET C C 13 177.382 . . . . . . . A 1 MET C . 36086 1 19 . 1 1 6 6 MET CA C 13 55.463 . . . . . . . A 1 MET CA . 36086 1 20 . 1 1 6 6 MET CB C 13 32.276 . . . . . . . A 1 MET CB . 36086 1 21 . 1 1 6 6 MET CG C 13 32.287 . . . . . . . A 1 MET CG . 36086 1 22 . 1 1 6 6 MET CE C 13 17.085 . . . . . . . A 1 MET CE . 36086 1 23 . 1 1 6 6 MET N N 15 121.640 . . . . . . . A 1 MET N . 36086 1 24 . 1 1 7 7 ALA H H 1 8.411 . . . . . . . A 2 ALA H . 36086 1 25 . 1 1 7 7 ALA HA H 1 4.102 . . . . . . . A 2 ALA HA . 36086 1 26 . 1 1 7 7 ALA HB1 H 1 1.272 . . . . . . . A 2 ALA HB1 . 36086 1 27 . 1 1 7 7 ALA HB2 H 1 1.272 . . . . . . . A 2 ALA HB2 . 36086 1 28 . 1 1 7 7 ALA HB3 H 1 1.272 . . . . . . . A 2 ALA HB3 . 36086 1 29 . 1 1 7 7 ALA C C 13 178.993 . . . . . . . A 2 ALA C . 36086 1 30 . 1 1 7 7 ALA CA C 13 54.459 . . . . . . . A 2 ALA CA . 36086 1 31 . 1 1 7 7 ALA CB C 13 19.153 . . . . . . . A 2 ALA CB . 36086 1 32 . 1 1 7 7 ALA N N 15 125.025 . . . . . . . A 2 ALA N . 36086 1 33 . 1 1 8 8 PHE H H 1 8.601 . . . . . . . A 3 PHE H . 36086 1 34 . 1 1 8 8 PHE HA H 1 4.359 . . . . . . . A 3 PHE HA . 36086 1 35 . 1 1 8 8 PHE HB2 H 1 2.999 . . . . . . . A 3 PHE HB2 . 36086 1 36 . 1 1 8 8 PHE HB3 H 1 3.269 . . . . . . . A 3 PHE HB3 . 36086 1 37 . 1 1 8 8 PHE HD1 H 1 6.951 . . . . . . . A 3 PHE HD1 . 36086 1 38 . 1 1 8 8 PHE HD2 H 1 6.951 . . . . . . . A 3 PHE HD2 . 36086 1 39 . 1 1 8 8 PHE HE1 H 1 6.735 . . . . . . . A 3 PHE HE1 . 36086 1 40 . 1 1 8 8 PHE HE2 H 1 6.735 . . . . . . . A 3 PHE HE2 . 36086 1 41 . 1 1 8 8 PHE HZ H 1 6.956 . . . . . . . A 3 PHE HZ . 36086 1 42 . 1 1 8 8 PHE C C 13 176.988 . . . . . . . A 3 PHE C . 36086 1 43 . 1 1 8 8 PHE CA C 13 60.086 . . . . . . . A 3 PHE CA . 36086 1 44 . 1 1 8 8 PHE CB C 13 38.765 . . . . . . . A 3 PHE CB . 36086 1 45 . 1 1 8 8 PHE CD1 C 13 131.440 . . . . . . . A 3 PHE CD1 . 36086 1 46 . 1 1 8 8 PHE CE1 C 13 130.347 . . . . . . . A 3 PHE CE1 . 36086 1 47 . 1 1 8 8 PHE CZ C 13 128.250 . . . . . . . A 3 PHE CZ . 36086 1 48 . 1 1 8 8 PHE N N 15 115.656 . . . . . . . A 3 PHE N . 36086 1 49 . 1 1 9 9 ALA H H 1 7.839 . . . . . . . A 4 ALA H . 36086 1 50 . 1 1 9 9 ALA HA H 1 4.481 . . . . . . . A 4 ALA HA . 36086 1 51 . 1 1 9 9 ALA HB1 H 1 1.593 . . . . . . . A 4 ALA HB1 . 36086 1 52 . 1 1 9 9 ALA HB2 H 1 1.593 . . . . . . . A 4 ALA HB2 . 36086 1 53 . 1 1 9 9 ALA HB3 H 1 1.593 . . . . . . . A 4 ALA HB3 . 36086 1 54 . 1 1 9 9 ALA C C 13 178.270 . . . . . . . A 4 ALA C . 36086 1 55 . 1 1 9 9 ALA CA C 13 54.798 . . . . . . . A 4 ALA CA . 36086 1 56 . 1 1 9 9 ALA CB C 13 18.800 . . . . . . . A 4 ALA CB . 36086 1 57 . 1 1 9 9 ALA N N 15 123.211 . . . . . . . A 4 ALA N . 36086 1 58 . 1 1 10 10 SER H H 1 8.171 . . . . . . . A 5 SER H . 36086 1 59 . 1 1 10 10 SER HA H 1 4.513 . . . . . . . A 5 SER HA . 36086 1 60 . 1 1 10 10 SER HB2 H 1 3.988 . . . . . . . A 5 SER HB2 . 36086 1 61 . 1 1 10 10 SER HB3 H 1 4.043 . . . . . . . A 5 SER HB3 . 36086 1 62 . 1 1 10 10 SER C C 13 174.327 . . . . . . . A 5 SER C . 36086 1 63 . 1 1 10 10 SER CA C 13 59.564 . . . . . . . A 5 SER CA . 36086 1 64 . 1 1 10 10 SER CB C 13 63.530 . . . . . . . A 5 SER CB . 36086 1 65 . 1 1 10 10 SER N N 15 110.314 . . . . . . . A 5 SER N . 36086 1 66 . 1 1 11 11 VAL H H 1 7.882 . . . . . . . A 6 VAL H . 36086 1 67 . 1 1 11 11 VAL HA H 1 4.288 . . . . . . . A 6 VAL HA . 36086 1 68 . 1 1 11 11 VAL HB H 1 2.199 . . . . . . . A 6 VAL HB . 36086 1 69 . 1 1 11 11 VAL HG11 H 1 0.987 . . . . . . . A 6 VAL HG11 . 36086 1 70 . 1 1 11 11 VAL HG12 H 1 0.987 . . . . . . . A 6 VAL HG12 . 36086 1 71 . 1 1 11 11 VAL HG13 H 1 0.987 . . . . . . . A 6 VAL HG13 . 36086 1 72 . 1 1 11 11 VAL HG21 H 1 1.090 . . . . . . . A 6 VAL HG21 . 36086 1 73 . 1 1 11 11 VAL HG22 H 1 1.090 . . . . . . . A 6 VAL HG22 . 36086 1 74 . 1 1 11 11 VAL HG23 H 1 1.090 . . . . . . . A 6 VAL HG23 . 36086 1 75 . 1 1 11 11 VAL C C 13 174.605 . . . . . . . A 6 VAL C . 36086 1 76 . 1 1 11 11 VAL CA C 13 63.560 . . . . . . . A 6 VAL CA . 36086 1 77 . 1 1 11 11 VAL CB C 13 34.974 . . . . . . . A 6 VAL CB . 36086 1 78 . 1 1 11 11 VAL CG1 C 13 21.211 . . . . . . . A 6 VAL CG1 . 36086 1 79 . 1 1 11 11 VAL CG2 C 13 21.242 . . . . . . . A 6 VAL CG2 . 36086 1 80 . 1 1 11 11 VAL N N 15 119.433 . . . . . . . A 6 VAL N . 36086 1 81 . 1 1 12 12 LEU H H 1 8.053 . . . . . . . A 7 LEU H . 36086 1 82 . 1 1 12 12 LEU HA H 1 4.910 . . . . . . . A 7 LEU HA . 36086 1 83 . 1 1 12 12 LEU HB2 H 1 1.642 . . . . . . . A 7 LEU HB2 . 36086 1 84 . 1 1 12 12 LEU HB3 H 1 1.642 . . . . . . . A 7 LEU HB3 . 36086 1 85 . 1 1 12 12 LEU HG H 1 1.846 . . . . . . . A 7 LEU HG . 36086 1 86 . 1 1 12 12 LEU HD11 H 1 0.875 . . . . . . . A 7 LEU HD11 . 36086 1 87 . 1 1 12 12 LEU HD12 H 1 0.875 . . . . . . . A 7 LEU HD12 . 36086 1 88 . 1 1 12 12 LEU HD13 H 1 0.875 . . . . . . . A 7 LEU HD13 . 36086 1 89 . 1 1 12 12 LEU HD21 H 1 0.966 . . . . . . . A 7 LEU HD21 . 36086 1 90 . 1 1 12 12 LEU HD22 H 1 0.966 . . . . . . . A 7 LEU HD22 . 36086 1 91 . 1 1 12 12 LEU HD23 H 1 0.966 . . . . . . . A 7 LEU HD23 . 36086 1 92 . 1 1 12 12 LEU C C 13 176.321 . . . . . . . A 7 LEU C . 36086 1 93 . 1 1 12 12 LEU CA C 13 52.631 . . . . . . . A 7 LEU CA . 36086 1 94 . 1 1 12 12 LEU CB C 13 44.465 . . . . . . . A 7 LEU CB . 36086 1 95 . 1 1 12 12 LEU CG C 13 27.202 . . . . . . . A 7 LEU CG . 36086 1 96 . 1 1 12 12 LEU CD1 C 13 26.667 . . . . . . . A 7 LEU CD1 . 36086 1 97 . 1 1 12 12 LEU CD2 C 13 21.783 . . . . . . . A 7 LEU CD2 . 36086 1 98 . 1 1 12 12 LEU N N 15 117.707 . . . . . . . A 7 LEU N . 36086 1 99 . 1 1 13 13 LYS H H 1 9.217 . . . . . . . A 8 LYS H . 36086 1 100 . 1 1 13 13 LYS HA H 1 4.497 . . . . . . . A 8 LYS HA . 36086 1 101 . 1 1 13 13 LYS HB2 H 1 1.801 . . . . . . . A 8 LYS HB2 . 36086 1 102 . 1 1 13 13 LYS HB3 H 1 2.011 . . . . . . . A 8 LYS HB3 . 36086 1 103 . 1 1 13 13 LYS HG2 H 1 1.518 . . . . . . . A 8 LYS HG2 . 36086 1 104 . 1 1 13 13 LYS HG3 H 1 1.634 . . . . . . . A 8 LYS HG3 . 36086 1 105 . 1 1 13 13 LYS HD2 H 1 1.727 . . . . . . . A 8 LYS HD2 . 36086 1 106 . 1 1 13 13 LYS HD3 H 1 1.727 . . . . . . . A 8 LYS HD3 . 36086 1 107 . 1 1 13 13 LYS HE2 H 1 3.054 . . . . . . . A 8 LYS HE2 . 36086 1 108 . 1 1 13 13 LYS HE3 H 1 3.054 . . . . . . . A 8 LYS HE3 . 36086 1 109 . 1 1 13 13 LYS C C 13 178.074 . . . . . . . A 8 LYS C . 36086 1 110 . 1 1 13 13 LYS CA C 13 55.687 . . . . . . . A 8 LYS CA . 36086 1 111 . 1 1 13 13 LYS CB C 13 33.177 . . . . . . . A 8 LYS CB . 36086 1 112 . 1 1 13 13 LYS CG C 13 25.353 . . . . . . . A 8 LYS CG . 36086 1 113 . 1 1 13 13 LYS CD C 13 29.151 . . . . . . . A 8 LYS CD . 36086 1 114 . 1 1 13 13 LYS CE C 13 42.352 . . . . . . . A 8 LYS CE . 36086 1 115 . 1 1 13 13 LYS N N 15 121.662 . . . . . . . A 8 LYS N . 36086 1 116 . 1 1 14 14 ASP H H 1 8.954 . . . . . . . A 9 ASP H . 36086 1 117 . 1 1 14 14 ASP HA H 1 4.360 . . . . . . . A 9 ASP HA . 36086 1 118 . 1 1 14 14 ASP HB2 H 1 2.719 . . . . . . . A 9 ASP HB2 . 36086 1 119 . 1 1 14 14 ASP HB3 H 1 2.792 . . . . . . . A 9 ASP HB3 . 36086 1 120 . 1 1 14 14 ASP C C 13 178.571 . . . . . . . A 9 ASP C . 36086 1 121 . 1 1 14 14 ASP CA C 13 58.218 . . . . . . . A 9 ASP CA . 36086 1 122 . 1 1 14 14 ASP CB C 13 41.237 . . . . . . . A 9 ASP CB . 36086 1 123 . 1 1 14 14 ASP N N 15 126.511 . . . . . . . A 9 ASP N . 36086 1 124 . 1 1 15 15 ALA H H 1 9.095 . . . . . . . A 10 ALA H . 36086 1 125 . 1 1 15 15 ALA HA H 1 4.134 . . . . . . . A 10 ALA HA . 36086 1 126 . 1 1 15 15 ALA HB1 H 1 1.472 . . . . . . . A 10 ALA HB1 . 36086 1 127 . 1 1 15 15 ALA HB2 H 1 1.472 . . . . . . . A 10 ALA HB2 . 36086 1 128 . 1 1 15 15 ALA HB3 H 1 1.472 . . . . . . . A 10 ALA HB3 . 36086 1 129 . 1 1 15 15 ALA C C 13 180.828 . . . . . . . A 10 ALA C . 36086 1 130 . 1 1 15 15 ALA CA C 13 55.408 . . . . . . . A 10 ALA CA . 36086 1 131 . 1 1 15 15 ALA CB C 13 18.691 . . . . . . . A 10 ALA CB . 36086 1 132 . 1 1 15 15 ALA N N 15 119.886 . . . . . . . A 10 ALA N . 36086 1 133 . 1 1 16 16 GLU H H 1 7.098 . . . . . . . A 11 GLU H . 36086 1 134 . 1 1 16 16 GLU HA H 1 4.115 . . . . . . . A 11 GLU HA . 36086 1 135 . 1 1 16 16 GLU HB2 H 1 2.152 . . . . . . . A 11 GLU HB2 . 36086 1 136 . 1 1 16 16 GLU HB3 H 1 2.391 . . . . . . . A 11 GLU HB3 . 36086 1 137 . 1 1 16 16 GLU HG2 H 1 2.322 . . . . . . . A 11 GLU HG2 . 36086 1 138 . 1 1 16 16 GLU HG3 H 1 2.322 . . . . . . . A 11 GLU HG3 . 36086 1 139 . 1 1 16 16 GLU C C 13 177.929 . . . . . . . A 11 GLU C . 36086 1 140 . 1 1 16 16 GLU CA C 13 59.060 . . . . . . . A 11 GLU CA . 36086 1 141 . 1 1 16 16 GLU CB C 13 28.297 . . . . . . . A 11 GLU CB . 36086 1 142 . 1 1 16 16 GLU CG C 13 37.772 . . . . . . . A 11 GLU CG . 36086 1 143 . 1 1 16 16 GLU N N 15 117.797 . . . . . . . A 11 GLU N . 36086 1 144 . 1 1 17 17 VAL H H 1 8.078 . . . . . . . A 12 VAL H . 36086 1 145 . 1 1 17 17 VAL HA H 1 3.226 . . . . . . . A 12 VAL HA . 36086 1 146 . 1 1 17 17 VAL HB H 1 2.303 . . . . . . . A 12 VAL HB . 36086 1 147 . 1 1 17 17 VAL HG11 H 1 1.153 . . . . . . . A 12 VAL HG11 . 36086 1 148 . 1 1 17 17 VAL HG12 H 1 1.153 . . . . . . . A 12 VAL HG12 . 36086 1 149 . 1 1 17 17 VAL HG13 H 1 1.153 . . . . . . . A 12 VAL HG13 . 36086 1 150 . 1 1 17 17 VAL HG21 H 1 1.101 . . . . . . . A 12 VAL HG21 . 36086 1 151 . 1 1 17 17 VAL HG22 H 1 1.101 . . . . . . . A 12 VAL HG22 . 36086 1 152 . 1 1 17 17 VAL HG23 H 1 1.101 . . . . . . . A 12 VAL HG23 . 36086 1 153 . 1 1 17 17 VAL C C 13 177.751 . . . . . . . A 12 VAL C . 36086 1 154 . 1 1 17 17 VAL CA C 13 67.819 . . . . . . . A 12 VAL CA . 36086 1 155 . 1 1 17 17 VAL CB C 13 31.925 . . . . . . . A 12 VAL CB . 36086 1 156 . 1 1 17 17 VAL CG1 C 13 24.903 . . . . . . . A 12 VAL CG1 . 36086 1 157 . 1 1 17 17 VAL CG2 C 13 22.770 . . . . . . . A 12 VAL CG2 . 36086 1 158 . 1 1 17 17 VAL N N 15 121.035 . . . . . . . A 12 VAL N . 36086 1 159 . 1 1 18 18 THR H H 1 8.600 . . . . . . . A 13 THR H . 36086 1 160 . 1 1 18 18 THR HA H 1 3.776 . . . . . . . A 13 THR HA . 36086 1 161 . 1 1 18 18 THR HB H 1 4.162 . . . . . . . A 13 THR HB . 36086 1 162 . 1 1 18 18 THR HG21 H 1 1.233 . . . . . . . A 13 THR HG21 . 36086 1 163 . 1 1 18 18 THR HG22 H 1 1.233 . . . . . . . A 13 THR HG22 . 36086 1 164 . 1 1 18 18 THR HG23 H 1 1.233 . . . . . . . A 13 THR HG23 . 36086 1 165 . 1 1 18 18 THR C C 13 175.866 . . . . . . . A 13 THR C . 36086 1 166 . 1 1 18 18 THR CA C 13 67.329 . . . . . . . A 13 THR CA . 36086 1 167 . 1 1 18 18 THR CB C 13 68.643 . . . . . . . A 13 THR CB . 36086 1 168 . 1 1 18 18 THR CG2 C 13 21.803 . . . . . . . A 13 THR CG2 . 36086 1 169 . 1 1 18 18 THR N N 15 115.377 . . . . . . . A 13 THR N . 36086 1 170 . 1 1 19 19 ALA H H 1 7.500 . . . . . . . A 14 ALA H . 36086 1 171 . 1 1 19 19 ALA HA H 1 4.161 . . . . . . . A 14 ALA HA . 36086 1 172 . 1 1 19 19 ALA HB1 H 1 1.480 . . . . . . . A 14 ALA HB1 . 36086 1 173 . 1 1 19 19 ALA HB2 H 1 1.480 . . . . . . . A 14 ALA HB2 . 36086 1 174 . 1 1 19 19 ALA HB3 H 1 1.480 . . . . . . . A 14 ALA HB3 . 36086 1 175 . 1 1 19 19 ALA C C 13 180.951 . . . . . . . A 14 ALA C . 36086 1 176 . 1 1 19 19 ALA CA C 13 55.243 . . . . . . . A 14 ALA CA . 36086 1 177 . 1 1 19 19 ALA CB C 13 17.877 . . . . . . . A 14 ALA CB . 36086 1 178 . 1 1 19 19 ALA N N 15 123.321 . . . . . . . A 14 ALA N . 36086 1 179 . 1 1 20 20 ALA H H 1 8.021 . . . . . . . A 15 ALA H . 36086 1 180 . 1 1 20 20 ALA HA H 1 3.714 . . . . . . . A 15 ALA HA . 36086 1 181 . 1 1 20 20 ALA HB1 H 1 0.675 . . . . . . . A 15 ALA HB1 . 36086 1 182 . 1 1 20 20 ALA HB2 H 1 0.675 . . . . . . . A 15 ALA HB2 . 36086 1 183 . 1 1 20 20 ALA HB3 H 1 0.675 . . . . . . . A 15 ALA HB3 . 36086 1 184 . 1 1 20 20 ALA C C 13 180.553 . . . . . . . A 15 ALA C . 36086 1 185 . 1 1 20 20 ALA CA C 13 54.567 . . . . . . . A 15 ALA CA . 36086 1 186 . 1 1 20 20 ALA CB C 13 18.558 . . . . . . . A 15 ALA CB . 36086 1 187 . 1 1 20 20 ALA N N 15 122.566 . . . . . . . A 15 ALA N . 36086 1 188 . 1 1 21 21 LEU H H 1 8.404 . . . . . . . A 16 LEU H . 36086 1 189 . 1 1 21 21 LEU HA H 1 4.192 . . . . . . . A 16 LEU HA . 36086 1 190 . 1 1 21 21 LEU HB2 H 1 1.549 . . . . . . . A 16 LEU HB2 . 36086 1 191 . 1 1 21 21 LEU HB3 H 1 2.052 . . . . . . . A 16 LEU HB3 . 36086 1 192 . 1 1 21 21 LEU HG H 1 1.845 . . . . . . . A 16 LEU HG . 36086 1 193 . 1 1 21 21 LEU HD11 H 1 0.951 . . . . . . . A 16 LEU HD11 . 36086 1 194 . 1 1 21 21 LEU HD12 H 1 0.951 . . . . . . . A 16 LEU HD12 . 36086 1 195 . 1 1 21 21 LEU HD13 H 1 0.951 . . . . . . . A 16 LEU HD13 . 36086 1 196 . 1 1 21 21 LEU HD21 H 1 1.033 . . . . . . . A 16 LEU HD21 . 36086 1 197 . 1 1 21 21 LEU HD22 H 1 1.033 . . . . . . . A 16 LEU HD22 . 36086 1 198 . 1 1 21 21 LEU HD23 H 1 1.033 . . . . . . . A 16 LEU HD23 . 36086 1 199 . 1 1 21 21 LEU C C 13 180.546 . . . . . . . A 16 LEU C . 36086 1 200 . 1 1 21 21 LEU CA C 13 57.677 . . . . . . . A 16 LEU CA . 36086 1 201 . 1 1 21 21 LEU CB C 13 41.726 . . . . . . . A 16 LEU CB . 36086 1 202 . 1 1 21 21 LEU CG C 13 27.634 . . . . . . . A 16 LEU CG . 36086 1 203 . 1 1 21 21 LEU CD1 C 13 27.997 . . . . . . . A 16 LEU CD1 . 36086 1 204 . 1 1 21 21 LEU CD2 C 13 24.563 . . . . . . . A 16 LEU CD2 . 36086 1 205 . 1 1 21 21 LEU N N 15 119.763 . . . . . . . A 16 LEU N . 36086 1 206 . 1 1 22 22 ASP H H 1 8.739 . . . . . . . A 17 ASP H . 36086 1 207 . 1 1 22 22 ASP HA H 1 4.449 . . . . . . . A 17 ASP HA . 36086 1 208 . 1 1 22 22 ASP HB2 H 1 2.647 . . . . . . . A 17 ASP HB2 . 36086 1 209 . 1 1 22 22 ASP HB3 H 1 2.780 . . . . . . . A 17 ASP HB3 . 36086 1 210 . 1 1 22 22 ASP C C 13 179.163 . . . . . . . A 17 ASP C . 36086 1 211 . 1 1 22 22 ASP CA C 13 57.499 . . . . . . . A 17 ASP CA . 36086 1 212 . 1 1 22 22 ASP CB C 13 40.419 . . . . . . . A 17 ASP CB . 36086 1 213 . 1 1 22 22 ASP N N 15 121.852 . . . . . . . A 17 ASP N . 36086 1 214 . 1 1 23 23 GLY H H 1 7.751 . . . . . . . A 18 GLY H . 36086 1 215 . 1 1 23 23 GLY HA2 H 1 4.167 . . . . . . . A 18 GLY HA2 . 36086 1 216 . 1 1 23 23 GLY HA3 H 1 3.886 . . . . . . . A 18 GLY HA3 . 36086 1 217 . 1 1 23 23 GLY C C 13 174.471 . . . . . . . A 18 GLY C . 36086 1 218 . 1 1 23 23 GLY CA C 13 46.092 . . . . . . . A 18 GLY CA . 36086 1 219 . 1 1 23 23 GLY N N 15 103.984 . . . . . . . A 18 GLY N . 36086 1 220 . 1 1 24 24 CYS H H 1 7.616 . . . . . . . A 19 CYS H . 36086 1 221 . 1 1 24 24 CYS HA H 1 5.709 . . . . . . . A 19 CYS HA . 36086 1 222 . 1 1 24 24 CYS HB2 H 1 2.966 . . . . . . . A 19 CYS HB2 . 36086 1 223 . 1 1 24 24 CYS HB3 H 1 3.235 . . . . . . . A 19 CYS HB3 . 36086 1 224 . 1 1 24 24 CYS C C 13 174.682 . . . . . . . A 19 CYS C . 36086 1 225 . 1 1 24 24 CYS CA C 13 55.433 . . . . . . . A 19 CYS CA . 36086 1 226 . 1 1 24 24 CYS CB C 13 28.087 . . . . . . . A 19 CYS CB . 36086 1 227 . 1 1 24 24 CYS N N 15 113.469 . . . . . . . A 19 CYS N . 36086 1 228 . 1 1 25 25 LYS H H 1 7.254 . . . . . . . A 20 LYS H . 36086 1 229 . 1 1 25 25 LYS HA H 1 4.163 . . . . . . . A 20 LYS HA . 36086 1 230 . 1 1 25 25 LYS HB2 H 1 1.908 . . . . . . . A 20 LYS HB2 . 36086 1 231 . 1 1 25 25 LYS HB3 H 1 2.005 . . . . . . . A 20 LYS HB3 . 36086 1 232 . 1 1 25 25 LYS HG2 H 1 1.590 . . . . . . . A 20 LYS HG2 . 36086 1 233 . 1 1 25 25 LYS HG3 H 1 1.590 . . . . . . . A 20 LYS HG3 . 36086 1 234 . 1 1 25 25 LYS HD2 H 1 1.795 . . . . . . . A 20 LYS HD2 . 36086 1 235 . 1 1 25 25 LYS HD3 H 1 1.795 . . . . . . . A 20 LYS HD3 . 36086 1 236 . 1 1 25 25 LYS HE2 H 1 3.053 . . . . . . . A 20 LYS HE2 . 36086 1 237 . 1 1 25 25 LYS HE3 H 1 3.053 . . . . . . . A 20 LYS HE3 . 36086 1 238 . 1 1 25 25 LYS C C 13 177.089 . . . . . . . A 20 LYS C . 36086 1 239 . 1 1 25 25 LYS CA C 13 59.764 . . . . . . . A 20 LYS CA . 36086 1 240 . 1 1 25 25 LYS CB C 13 33.020 . . . . . . . A 20 LYS CB . 36086 1 241 . 1 1 25 25 LYS CG C 13 24.574 . . . . . . . A 20 LYS CG . 36086 1 242 . 1 1 25 25 LYS CD C 13 29.567 . . . . . . . A 20 LYS CD . 36086 1 243 . 1 1 25 25 LYS CE C 13 42.088 . . . . . . . A 20 LYS CE . 36086 1 244 . 1 1 25 25 LYS N N 15 123.557 . . . . . . . A 20 LYS N . 36086 1 245 . 1 1 26 26 ALA H H 1 8.121 . . . . . . . A 21 ALA H . 36086 1 246 . 1 1 26 26 ALA HA H 1 4.388 . . . . . . . A 21 ALA HA . 36086 1 247 . 1 1 26 26 ALA HB1 H 1 1.371 . . . . . . . A 21 ALA HB1 . 36086 1 248 . 1 1 26 26 ALA HB2 H 1 1.371 . . . . . . . A 21 ALA HB2 . 36086 1 249 . 1 1 26 26 ALA HB3 H 1 1.371 . . . . . . . A 21 ALA HB3 . 36086 1 250 . 1 1 26 26 ALA C C 13 178.768 . . . . . . . A 21 ALA C . 36086 1 251 . 1 1 26 26 ALA CA C 13 51.523 . . . . . . . A 21 ALA CA . 36086 1 252 . 1 1 26 26 ALA CB C 13 19.102 . . . . . . . A 21 ALA CB . 36086 1 253 . 1 1 26 26 ALA N N 15 119.845 . . . . . . . A 21 ALA N . 36086 1 254 . 1 1 27 27 ALA H H 1 8.994 . . . . . . . A 22 ALA H . 36086 1 255 . 1 1 27 27 ALA HA H 1 4.042 . . . . . . . A 22 ALA HA . 36086 1 256 . 1 1 27 27 ALA HB1 H 1 1.468 . . . . . . . A 22 ALA HB1 . 36086 1 257 . 1 1 27 27 ALA HB2 H 1 1.468 . . . . . . . A 22 ALA HB2 . 36086 1 258 . 1 1 27 27 ALA HB3 H 1 1.468 . . . . . . . A 22 ALA HB3 . 36086 1 259 . 1 1 27 27 ALA C C 13 178.480 . . . . . . . A 22 ALA C . 36086 1 260 . 1 1 27 27 ALA CA C 13 54.269 . . . . . . . A 22 ALA CA . 36086 1 261 . 1 1 27 27 ALA CB C 13 17.860 . . . . . . . A 22 ALA CB . 36086 1 262 . 1 1 27 27 ALA N N 15 127.425 . . . . . . . A 22 ALA N . 36086 1 263 . 1 1 28 28 GLY H H 1 8.291 . . . . . . . A 23 GLY H . 36086 1 264 . 1 1 28 28 GLY HA2 H 1 4.335 . . . . . . . A 23 GLY HA2 . 36086 1 265 . 1 1 28 28 GLY HA3 H 1 3.670 . . . . . . . A 23 GLY HA3 . 36086 1 266 . 1 1 28 28 GLY C C 13 175.272 . . . . . . . A 23 GLY C . 36086 1 267 . 1 1 28 28 GLY CA C 13 46.191 . . . . . . . A 23 GLY CA . 36086 1 268 . 1 1 28 28 GLY N N 15 111.805 . . . . . . . A 23 GLY N . 36086 1 269 . 1 1 29 29 SER H H 1 7.774 . . . . . . . A 24 SER H . 36086 1 270 . 1 1 29 29 SER HA H 1 4.437 . . . . . . . A 24 SER HA . 36086 1 271 . 1 1 29 29 SER HB2 H 1 3.689 . . . . . . . A 24 SER HB2 . 36086 1 272 . 1 1 29 29 SER HB3 H 1 4.183 . . . . . . . A 24 SER HB3 . 36086 1 273 . 1 1 29 29 SER HG H 1 6.103 . . . . . . . A 24 SER HG . 36086 1 274 . 1 1 29 29 SER C C 13 175.476 . . . . . . . A 24 SER C . 36086 1 275 . 1 1 29 29 SER CA C 13 59.312 . . . . . . . A 24 SER CA . 36086 1 276 . 1 1 29 29 SER CB C 13 65.163 . . . . . . . A 24 SER CB . 36086 1 277 . 1 1 29 29 SER N N 15 113.187 . . . . . . . A 24 SER N . 36086 1 278 . 1 1 30 30 PHE H H 1 9.137 . . . . . . . A 25 PHE H . 36086 1 279 . 1 1 30 30 PHE HA H 1 4.079 . . . . . . . A 25 PHE HA . 36086 1 280 . 1 1 30 30 PHE HB2 H 1 2.818 . . . . . . . A 25 PHE HB2 . 36086 1 281 . 1 1 30 30 PHE HB3 H 1 2.896 . . . . . . . A 25 PHE HB3 . 36086 1 282 . 1 1 30 30 PHE HD1 H 1 7.245 . . . . . . . A 25 PHE HD1 . 36086 1 283 . 1 1 30 30 PHE HD2 H 1 7.245 . . . . . . . A 25 PHE HD2 . 36086 1 284 . 1 1 30 30 PHE HE1 H 1 6.155 . . . . . . . A 25 PHE HE1 . 36086 1 285 . 1 1 30 30 PHE HE2 H 1 6.155 . . . . . . . A 25 PHE HE2 . 36086 1 286 . 1 1 30 30 PHE HZ H 1 5.853 . . . . . . . A 25 PHE HZ . 36086 1 287 . 1 1 30 30 PHE C C 13 173.656 . . . . . . . A 25 PHE C . 36086 1 288 . 1 1 30 30 PHE CA C 13 61.008 . . . . . . . A 25 PHE CA . 36086 1 289 . 1 1 30 30 PHE CB C 13 39.980 . . . . . . . A 25 PHE CB . 36086 1 290 . 1 1 30 30 PHE CD1 C 13 131.848 . . . . . . . A 25 PHE CD1 . 36086 1 291 . 1 1 30 30 PHE CE1 C 13 130.657 . . . . . . . A 25 PHE CE1 . 36086 1 292 . 1 1 30 30 PHE CZ C 13 127.993 . . . . . . . A 25 PHE CZ . 36086 1 293 . 1 1 30 30 PHE N N 15 124.592 . . . . . . . A 25 PHE N . 36086 1 294 . 1 1 31 31 ASP H H 1 6.876 . . . . . . . A 26 ASP H . 36086 1 295 . 1 1 31 31 ASP HA H 1 4.379 . . . . . . . A 26 ASP HA . 36086 1 296 . 1 1 31 31 ASP HB2 H 1 2.404 . . . . . . . A 26 ASP HB2 . 36086 1 297 . 1 1 31 31 ASP HB3 H 1 2.404 . . . . . . . A 26 ASP HB3 . 36086 1 298 . 1 1 31 31 ASP C C 13 176.226 . . . . . . . A 26 ASP C . 36086 1 299 . 1 1 31 31 ASP CA C 13 52.438 . . . . . . . A 26 ASP CA . 36086 1 300 . 1 1 31 31 ASP CB C 13 43.358 . . . . . . . A 26 ASP CB . 36086 1 301 . 1 1 31 31 ASP N N 15 127.153 . . . . . . . A 26 ASP N . 36086 1 302 . 1 1 32 32 HIS H H 1 8.406 . . . . . . . A 27 HIS H . 36086 1 303 . 1 1 32 32 HIS HA H 1 3.021 . . . . . . . A 27 HIS HA . 36086 1 304 . 1 1 32 32 HIS HB2 H 1 1.906 . . . . . . . A 27 HIS HB2 . 36086 1 305 . 1 1 32 32 HIS HB3 H 1 2.207 . . . . . . . A 27 HIS HB3 . 36086 1 306 . 1 1 32 32 HIS HE1 H 1 7.640 . . . . . . . A 27 HIS HE1 . 36086 1 307 . 1 1 32 32 HIS C C 13 174.710 . . . . . . . A 27 HIS C . 36086 1 308 . 1 1 32 32 HIS CA C 13 59.897 . . . . . . . A 27 HIS CA . 36086 1 309 . 1 1 32 32 HIS CB C 13 28.904 . . . . . . . A 27 HIS CB . 36086 1 310 . 1 1 32 32 HIS CE1 C 13 138.790 . . . . . . . A 27 HIS CE1 . 36086 1 311 . 1 1 32 32 HIS N N 15 125.025 . . . . . . . A 27 HIS N . 36086 1 312 . 1 1 33 33 LYS H H 1 6.752 . . . . . . . A 28 LYS H . 36086 1 313 . 1 1 33 33 LYS HA H 1 3.840 . . . . . . . A 28 LYS HA . 36086 1 314 . 1 1 33 33 LYS HB2 H 1 1.573 . . . . . . . A 28 LYS HB2 . 36086 1 315 . 1 1 33 33 LYS HB3 H 1 1.573 . . . . . . . A 28 LYS HB3 . 36086 1 316 . 1 1 33 33 LYS HG2 H 1 0.967 . . . . . . . A 28 LYS HG2 . 36086 1 317 . 1 1 33 33 LYS HG3 H 1 1.130 . . . . . . . A 28 LYS HG3 . 36086 1 318 . 1 1 33 33 LYS HD2 H 1 1.615 . . . . . . . A 28 LYS HD2 . 36086 1 319 . 1 1 33 33 LYS HD3 H 1 1.658 . . . . . . . A 28 LYS HD3 . 36086 1 320 . 1 1 33 33 LYS HE2 H 1 3.010 . . . . . . . A 28 LYS HE2 . 36086 1 321 . 1 1 33 33 LYS HE3 H 1 3.010 . . . . . . . A 28 LYS HE3 . 36086 1 322 . 1 1 33 33 LYS C C 13 180.020 . . . . . . . A 28 LYS C . 36086 1 323 . 1 1 33 33 LYS CA C 13 59.282 . . . . . . . A 28 LYS CA . 36086 1 324 . 1 1 33 33 LYS CB C 13 31.324 . . . . . . . A 28 LYS CB . 36086 1 325 . 1 1 33 33 LYS CG C 13 24.783 . . . . . . . A 28 LYS CG . 36086 1 326 . 1 1 33 33 LYS CD C 13 28.912 . . . . . . . A 28 LYS CD . 36086 1 327 . 1 1 33 33 LYS CE C 13 41.797 . . . . . . . A 28 LYS CE . 36086 1 328 . 1 1 33 33 LYS N N 15 120.852 . . . . . . . A 28 LYS N . 36086 1 329 . 1 1 34 34 LYS H H 1 7.255 . . . . . . . A 29 LYS H . 36086 1 330 . 1 1 34 34 LYS HA H 1 3.875 . . . . . . . A 29 LYS HA . 36086 1 331 . 1 1 34 34 LYS HB2 H 1 1.653 . . . . . . . A 29 LYS HB2 . 36086 1 332 . 1 1 34 34 LYS HB3 H 1 1.732 . . . . . . . A 29 LYS HB3 . 36086 1 333 . 1 1 34 34 LYS HG2 H 1 1.249 . . . . . . . A 29 LYS HG2 . 36086 1 334 . 1 1 34 34 LYS HG3 H 1 1.394 . . . . . . . A 29 LYS HG3 . 36086 1 335 . 1 1 34 34 LYS HD2 H 1 1.603 . . . . . . . A 29 LYS HD2 . 36086 1 336 . 1 1 34 34 LYS HD3 H 1 1.657 . . . . . . . A 29 LYS HD3 . 36086 1 337 . 1 1 34 34 LYS HE2 H 1 2.929 . . . . . . . A 29 LYS HE2 . 36086 1 338 . 1 1 34 34 LYS HE3 H 1 2.929 . . . . . . . A 29 LYS HE3 . 36086 1 339 . 1 1 34 34 LYS C C 13 179.085 . . . . . . . A 29 LYS C . 36086 1 340 . 1 1 34 34 LYS CA C 13 59.092 . . . . . . . A 29 LYS CA . 36086 1 341 . 1 1 34 34 LYS CB C 13 32.773 . . . . . . . A 29 LYS CB . 36086 1 342 . 1 1 34 34 LYS CG C 13 25.438 . . . . . . . A 29 LYS CG . 36086 1 343 . 1 1 34 34 LYS CD C 13 29.506 . . . . . . . A 29 LYS CD . 36086 1 344 . 1 1 34 34 LYS CE C 13 42.012 . . . . . . . A 29 LYS CE . 36086 1 345 . 1 1 34 34 LYS N N 15 119.030 . . . . . . . A 29 LYS N . 36086 1 346 . 1 1 35 35 PHE H H 1 8.218 . . . . . . . A 30 PHE H . 36086 1 347 . 1 1 35 35 PHE HA H 1 3.955 . . . . . . . A 30 PHE HA . 36086 1 348 . 1 1 35 35 PHE HB2 H 1 2.499 . . . . . . . A 30 PHE HB2 . 36086 1 349 . 1 1 35 35 PHE HB3 H 1 2.684 . . . . . . . A 30 PHE HB3 . 36086 1 350 . 1 1 35 35 PHE HD1 H 1 6.905 . . . . . . . A 30 PHE HD1 . 36086 1 351 . 1 1 35 35 PHE HD2 H 1 6.905 . . . . . . . A 30 PHE HD2 . 36086 1 352 . 1 1 35 35 PHE HE1 H 1 6.557 . . . . . . . A 30 PHE HE1 . 36086 1 353 . 1 1 35 35 PHE HE2 H 1 6.557 . . . . . . . A 30 PHE HE2 . 36086 1 354 . 1 1 35 35 PHE HZ H 1 5.708 . . . . . . . A 30 PHE HZ . 36086 1 355 . 1 1 35 35 PHE C C 13 178.083 . . . . . . . A 30 PHE C . 36086 1 356 . 1 1 35 35 PHE CA C 13 62.199 . . . . . . . A 30 PHE CA . 36086 1 357 . 1 1 35 35 PHE CB C 13 40.255 . . . . . . . A 30 PHE CB . 36086 1 358 . 1 1 35 35 PHE CD1 C 13 131.560 . . . . . . . A 30 PHE CD1 . 36086 1 359 . 1 1 35 35 PHE CE1 C 13 131.928 . . . . . . . A 30 PHE CE1 . 36086 1 360 . 1 1 35 35 PHE CZ C 13 128.568 . . . . . . . A 30 PHE CZ . 36086 1 361 . 1 1 35 35 PHE N N 15 120.553 . . . . . . . A 30 PHE N . 36086 1 362 . 1 1 36 36 PHE H H 1 8.957 . . . . . . . A 31 PHE H . 36086 1 363 . 1 1 36 36 PHE HA H 1 4.560 . . . . . . . A 31 PHE HA . 36086 1 364 . 1 1 36 36 PHE HB2 H 1 3.212 . . . . . . . A 31 PHE HB2 . 36086 1 365 . 1 1 36 36 PHE HB3 H 1 3.305 . . . . . . . A 31 PHE HB3 . 36086 1 366 . 1 1 36 36 PHE HD1 H 1 7.446 . . . . . . . A 31 PHE HD1 . 36086 1 367 . 1 1 36 36 PHE HD2 H 1 7.446 . . . . . . . A 31 PHE HD2 . 36086 1 368 . 1 1 36 36 PHE HE1 H 1 7.448 . . . . . . . A 31 PHE HE1 . 36086 1 369 . 1 1 36 36 PHE HE2 H 1 7.448 . . . . . . . A 31 PHE HE2 . 36086 1 370 . 1 1 36 36 PHE C C 13 177.897 . . . . . . . A 31 PHE C . 36086 1 371 . 1 1 36 36 PHE CA C 13 60.033 . . . . . . . A 31 PHE CA . 36086 1 372 . 1 1 36 36 PHE CB C 13 37.526 . . . . . . . A 31 PHE CB . 36086 1 373 . 1 1 36 36 PHE CD1 C 13 131.967 . . . . . . . A 31 PHE CD1 . 36086 1 374 . 1 1 36 36 PHE N N 15 117.780 . . . . . . . A 31 PHE N . 36086 1 375 . 1 1 37 37 LYS H H 1 7.422 . . . . . . . A 32 LYS H . 36086 1 376 . 1 1 37 37 LYS HA H 1 4.317 . . . . . . . A 32 LYS HA . 36086 1 377 . 1 1 37 37 LYS HB2 H 1 1.889 . . . . . . . A 32 LYS HB2 . 36086 1 378 . 1 1 37 37 LYS HB3 H 1 1.889 . . . . . . . A 32 LYS HB3 . 36086 1 379 . 1 1 37 37 LYS HG2 H 1 1.428 . . . . . . . A 32 LYS HG2 . 36086 1 380 . 1 1 37 37 LYS HG3 H 1 1.489 . . . . . . . A 32 LYS HG3 . 36086 1 381 . 1 1 37 37 LYS HD2 H 1 1.673 . . . . . . . A 32 LYS HD2 . 36086 1 382 . 1 1 37 37 LYS HD3 H 1 1.673 . . . . . . . A 32 LYS HD3 . 36086 1 383 . 1 1 37 37 LYS HE2 H 1 2.974 . . . . . . . A 32 LYS HE2 . 36086 1 384 . 1 1 37 37 LYS HE3 H 1 2.974 . . . . . . . A 32 LYS HE3 . 36086 1 385 . 1 1 37 37 LYS C C 13 179.457 . . . . . . . A 32 LYS C . 36086 1 386 . 1 1 37 37 LYS CA C 13 58.607 . . . . . . . A 32 LYS CA . 36086 1 387 . 1 1 37 37 LYS CB C 13 32.675 . . . . . . . A 32 LYS CB . 36086 1 388 . 1 1 37 37 LYS CG C 13 24.887 . . . . . . . A 32 LYS CG . 36086 1 389 . 1 1 37 37 LYS CD C 13 29.072 . . . . . . . A 32 LYS CD . 36086 1 390 . 1 1 37 37 LYS CE C 13 42.189 . . . . . . . A 32 LYS CE . 36086 1 391 . 1 1 37 37 LYS N N 15 118.375 . . . . . . . A 32 LYS N . 36086 1 392 . 1 1 38 38 ALA H H 1 8.298 . . . . . . . A 33 ALA H . 36086 1 393 . 1 1 38 38 ALA HA H 1 4.038 . . . . . . . A 33 ALA HA . 36086 1 394 . 1 1 38 38 ALA HB1 H 1 1.235 . . . . . . . A 33 ALA HB1 . 36086 1 395 . 1 1 38 38 ALA HB2 H 1 1.235 . . . . . . . A 33 ALA HB2 . 36086 1 396 . 1 1 38 38 ALA HB3 H 1 1.235 . . . . . . . A 33 ALA HB3 . 36086 1 397 . 1 1 38 38 ALA C C 13 178.923 . . . . . . . A 33 ALA C . 36086 1 398 . 1 1 38 38 ALA CA C 13 54.905 . . . . . . . A 33 ALA CA . 36086 1 399 . 1 1 38 38 ALA CB C 13 18.296 . . . . . . . A 33 ALA CB . 36086 1 400 . 1 1 38 38 ALA N N 15 121.956 . . . . . . . A 33 ALA N . 36086 1 401 . 1 1 39 39 CYS H H 1 8.150 . . . . . . . A 34 CYS H . 36086 1 402 . 1 1 39 39 CYS HA H 1 4.221 . . . . . . . A 34 CYS HA . 36086 1 403 . 1 1 39 39 CYS HB2 H 1 1.998 . . . . . . . A 34 CYS HB2 . 36086 1 404 . 1 1 39 39 CYS HB3 H 1 2.689 . . . . . . . A 34 CYS HB3 . 36086 1 405 . 1 1 39 39 CYS C C 13 173.776 . . . . . . . A 34 CYS C . 36086 1 406 . 1 1 39 39 CYS CA C 13 58.444 . . . . . . . A 34 CYS CA . 36086 1 407 . 1 1 39 39 CYS CB C 13 27.211 . . . . . . . A 34 CYS CB . 36086 1 408 . 1 1 39 39 CYS N N 15 108.149 . . . . . . . A 34 CYS N . 36086 1 409 . 1 1 40 40 GLY H H 1 7.290 . . . . . . . A 35 GLY H . 36086 1 410 . 1 1 40 40 GLY HA2 H 1 4.395 . . . . . . . A 35 GLY HA2 . 36086 1 411 . 1 1 40 40 GLY HA3 H 1 3.984 . . . . . . . A 35 GLY HA3 . 36086 1 412 . 1 1 40 40 GLY C C 13 175.504 . . . . . . . A 35 GLY C . 36086 1 413 . 1 1 40 40 GLY CA C 13 45.653 . . . . . . . A 35 GLY CA . 36086 1 414 . 1 1 40 40 GLY N N 15 107.148 . . . . . . . A 35 GLY N . 36086 1 415 . 1 1 41 41 LEU H H 1 8.028 . . . . . . . A 36 LEU H . 36086 1 416 . 1 1 41 41 LEU HA H 1 4.123 . . . . . . . A 36 LEU HA . 36086 1 417 . 1 1 41 41 LEU HB2 H 1 1.538 . . . . . . . A 36 LEU HB2 . 36086 1 418 . 1 1 41 41 LEU HB3 H 1 1.802 . . . . . . . A 36 LEU HB3 . 36086 1 419 . 1 1 41 41 LEU HG H 1 1.857 . . . . . . . A 36 LEU HG . 36086 1 420 . 1 1 41 41 LEU HD11 H 1 1.130 . . . . . . . A 36 LEU HD11 . 36086 1 421 . 1 1 41 41 LEU HD12 H 1 1.130 . . . . . . . A 36 LEU HD12 . 36086 1 422 . 1 1 41 41 LEU HD13 H 1 1.130 . . . . . . . A 36 LEU HD13 . 36086 1 423 . 1 1 41 41 LEU HD21 H 1 0.972 . . . . . . . A 36 LEU HD21 . 36086 1 424 . 1 1 41 41 LEU HD22 H 1 0.972 . . . . . . . A 36 LEU HD22 . 36086 1 425 . 1 1 41 41 LEU HD23 H 1 0.972 . . . . . . . A 36 LEU HD23 . 36086 1 426 . 1 1 41 41 LEU C C 13 177.101 . . . . . . . A 36 LEU C . 36086 1 427 . 1 1 41 41 LEU CA C 13 57.492 . . . . . . . A 36 LEU CA . 36086 1 428 . 1 1 41 41 LEU CB C 13 43.242 . . . . . . . A 36 LEU CB . 36086 1 429 . 1 1 41 41 LEU CG C 13 27.862 . . . . . . . A 36 LEU CG . 36086 1 430 . 1 1 41 41 LEU CD1 C 13 24.554 . . . . . . . A 36 LEU CD1 . 36086 1 431 . 1 1 41 41 LEU CD2 C 13 24.381 . . . . . . . A 36 LEU CD2 . 36086 1 432 . 1 1 41 41 LEU N N 15 122.421 . . . . . . . A 36 LEU N . 36086 1 433 . 1 1 42 42 SER H H 1 7.711 . . . . . . . A 37 SER H . 36086 1 434 . 1 1 42 42 SER HA H 1 4.073 . . . . . . . A 37 SER HA . 36086 1 435 . 1 1 42 42 SER HB2 H 1 3.812 . . . . . . . A 37 SER HB2 . 36086 1 436 . 1 1 42 42 SER HB3 H 1 3.859 . . . . . . . A 37 SER HB3 . 36086 1 437 . 1 1 42 42 SER C C 13 174.880 . . . . . . . A 37 SER C . 36086 1 438 . 1 1 42 42 SER CA C 13 61.047 . . . . . . . A 37 SER CA . 36086 1 439 . 1 1 42 42 SER CB C 13 63.283 . . . . . . . A 37 SER CB . 36086 1 440 . 1 1 42 42 SER N N 15 110.822 . . . . . . . A 37 SER N . 36086 1 441 . 1 1 43 43 GLY H H 1 7.717 . . . . . . . A 38 GLY H . 36086 1 442 . 1 1 43 43 GLY HA2 H 1 4.253 . . . . . . . A 38 GLY HA2 . 36086 1 443 . 1 1 43 43 GLY HA3 H 1 3.871 . . . . . . . A 38 GLY HA3 . 36086 1 444 . 1 1 43 43 GLY C C 13 174.935 . . . . . . . A 38 GLY C . 36086 1 445 . 1 1 43 43 GLY CA C 13 44.944 . . . . . . . A 38 GLY CA . 36086 1 446 . 1 1 43 43 GLY N N 15 108.755 . . . . . . . A 38 GLY N . 36086 1 447 . 1 1 44 44 LYS H H 1 7.317 . . . . . . . A 39 LYS H . 36086 1 448 . 1 1 44 44 LYS HA H 1 4.520 . . . . . . . A 39 LYS HA . 36086 1 449 . 1 1 44 44 LYS HB2 H 1 2.050 . . . . . . . A 39 LYS HB2 . 36086 1 450 . 1 1 44 44 LYS HB3 H 1 2.106 . . . . . . . A 39 LYS HB3 . 36086 1 451 . 1 1 44 44 LYS HG2 H 1 1.358 . . . . . . . A 39 LYS HG2 . 36086 1 452 . 1 1 44 44 LYS HG3 H 1 1.888 . . . . . . . A 39 LYS HG3 . 36086 1 453 . 1 1 44 44 LYS HD2 H 1 1.734 . . . . . . . A 39 LYS HD2 . 36086 1 454 . 1 1 44 44 LYS HD3 H 1 1.780 . . . . . . . A 39 LYS HD3 . 36086 1 455 . 1 1 44 44 LYS HE2 H 1 2.999 . . . . . . . A 39 LYS HE2 . 36086 1 456 . 1 1 44 44 LYS HE3 H 1 3.086 . . . . . . . A 39 LYS HE3 . 36086 1 457 . 1 1 44 44 LYS C C 13 176.065 . . . . . . . A 39 LYS C . 36086 1 458 . 1 1 44 44 LYS CA C 13 54.357 . . . . . . . A 39 LYS CA . 36086 1 459 . 1 1 44 44 LYS CB C 13 32.580 . . . . . . . A 39 LYS CB . 36086 1 460 . 1 1 44 44 LYS CG C 13 25.295 . . . . . . . A 39 LYS CG . 36086 1 461 . 1 1 44 44 LYS CD C 13 27.812 . . . . . . . A 39 LYS CD . 36086 1 462 . 1 1 44 44 LYS CE C 13 42.766 . . . . . . . A 39 LYS CE . 36086 1 463 . 1 1 44 44 LYS N N 15 119.001 . . . . . . . A 39 LYS N . 36086 1 464 . 1 1 45 45 SER H H 1 8.780 . . . . . . . A 40 SER H . 36086 1 465 . 1 1 45 45 SER HA H 1 4.554 . . . . . . . A 40 SER HA . 36086 1 466 . 1 1 45 45 SER HB2 H 1 4.130 . . . . . . . A 40 SER HB2 . 36086 1 467 . 1 1 45 45 SER HB3 H 1 4.401 . . . . . . . A 40 SER HB3 . 36086 1 468 . 1 1 45 45 SER C C 13 175.067 . . . . . . . A 40 SER C . 36086 1 469 . 1 1 45 45 SER CA C 13 57.843 . . . . . . . A 40 SER CA . 36086 1 470 . 1 1 45 45 SER CB C 13 65.308 . . . . . . . A 40 SER CB . 36086 1 471 . 1 1 45 45 SER N N 15 116.167 . . . . . . . A 40 SER N . 36086 1 472 . 1 1 46 46 THR H H 1 8.762 . . . . . . . A 41 THR H . 36086 1 473 . 1 1 46 46 THR HA H 1 3.883 . . . . . . . A 41 THR HA . 36086 1 474 . 1 1 46 46 THR HB H 1 4.181 . . . . . . . A 41 THR HB . 36086 1 475 . 1 1 46 46 THR HG21 H 1 1.289 . . . . . . . A 41 THR HG21 . 36086 1 476 . 1 1 46 46 THR HG22 H 1 1.289 . . . . . . . A 41 THR HG22 . 36086 1 477 . 1 1 46 46 THR HG23 H 1 1.289 . . . . . . . A 41 THR HG23 . 36086 1 478 . 1 1 46 46 THR C C 13 176.432 . . . . . . . A 41 THR C . 36086 1 479 . 1 1 46 46 THR CA C 13 66.783 . . . . . . . A 41 THR CA . 36086 1 480 . 1 1 46 46 THR CB C 13 68.640 . . . . . . . A 41 THR CB . 36086 1 481 . 1 1 46 46 THR CG2 C 13 22.248 . . . . . . . A 41 THR CG2 . 36086 1 482 . 1 1 46 46 THR N N 15 116.462 . . . . . . . A 41 THR N . 36086 1 483 . 1 1 47 47 ASP H H 1 8.480 . . . . . . . A 42 ASP H . 36086 1 484 . 1 1 47 47 ASP HA H 1 4.399 . . . . . . . A 42 ASP HA . 36086 1 485 . 1 1 47 47 ASP HB2 H 1 2.639 . . . . . . . A 42 ASP HB2 . 36086 1 486 . 1 1 47 47 ASP HB3 H 1 2.639 . . . . . . . A 42 ASP HB3 . 36086 1 487 . 1 1 47 47 ASP C C 13 179.027 . . . . . . . A 42 ASP C . 36086 1 488 . 1 1 47 47 ASP CA C 13 57.923 . . . . . . . A 42 ASP CA . 36086 1 489 . 1 1 47 47 ASP CB C 13 40.688 . . . . . . . A 42 ASP CB . 36086 1 490 . 1 1 47 47 ASP N N 15 119.919 . . . . . . . A 42 ASP N . 36086 1 491 . 1 1 48 48 GLU H H 1 7.736 . . . . . . . A 43 GLU H . 36086 1 492 . 1 1 48 48 GLU HA H 1 4.101 . . . . . . . A 43 GLU HA . 36086 1 493 . 1 1 48 48 GLU HB2 H 1 2.007 . . . . . . . A 43 GLU HB2 . 36086 1 494 . 1 1 48 48 GLU HB3 H 1 2.453 . . . . . . . A 43 GLU HB3 . 36086 1 495 . 1 1 48 48 GLU HG2 H 1 2.348 . . . . . . . A 43 GLU HG2 . 36086 1 496 . 1 1 48 48 GLU HG3 H 1 2.455 . . . . . . . A 43 GLU HG3 . 36086 1 497 . 1 1 48 48 GLU C C 13 178.982 . . . . . . . A 43 GLU C . 36086 1 498 . 1 1 48 48 GLU CA C 13 59.529 . . . . . . . A 43 GLU CA . 36086 1 499 . 1 1 48 48 GLU CB C 13 30.184 . . . . . . . A 43 GLU CB . 36086 1 500 . 1 1 48 48 GLU CG C 13 37.739 . . . . . . . A 43 GLU CG . 36086 1 501 . 1 1 48 48 GLU N N 15 120.297 . . . . . . . A 43 GLU N . 36086 1 502 . 1 1 49 49 VAL H H 1 8.488 . . . . . . . A 44 VAL H . 36086 1 503 . 1 1 49 49 VAL HA H 1 3.626 . . . . . . . A 44 VAL HA . 36086 1 504 . 1 1 49 49 VAL HB H 1 2.348 . . . . . . . A 44 VAL HB . 36086 1 505 . 1 1 49 49 VAL HG11 H 1 1.029 . . . . . . . A 44 VAL HG11 . 36086 1 506 . 1 1 49 49 VAL HG12 H 1 1.029 . . . . . . . A 44 VAL HG12 . 36086 1 507 . 1 1 49 49 VAL HG13 H 1 1.029 . . . . . . . A 44 VAL HG13 . 36086 1 508 . 1 1 49 49 VAL HG21 H 1 1.002 . . . . . . . A 44 VAL HG21 . 36086 1 509 . 1 1 49 49 VAL HG22 H 1 1.002 . . . . . . . A 44 VAL HG22 . 36086 1 510 . 1 1 49 49 VAL HG23 H 1 1.002 . . . . . . . A 44 VAL HG23 . 36086 1 511 . 1 1 49 49 VAL C C 13 178.265 . . . . . . . A 44 VAL C . 36086 1 512 . 1 1 49 49 VAL CA C 13 67.781 . . . . . . . A 44 VAL CA . 36086 1 513 . 1 1 49 49 VAL CB C 13 31.579 . . . . . . . A 44 VAL CB . 36086 1 514 . 1 1 49 49 VAL CG1 C 13 21.956 . . . . . . . A 44 VAL CG1 . 36086 1 515 . 1 1 49 49 VAL CG2 C 13 23.834 . . . . . . . A 44 VAL CG2 . 36086 1 516 . 1 1 49 49 VAL N N 15 121.708 . . . . . . . A 44 VAL N . 36086 1 517 . 1 1 50 50 LYS H H 1 8.305 . . . . . . . A 45 LYS H . 36086 1 518 . 1 1 50 50 LYS HA H 1 4.019 . . . . . . . A 45 LYS HA . 36086 1 519 . 1 1 50 50 LYS HB2 H 1 1.923 . . . . . . . A 45 LYS HB2 . 36086 1 520 . 1 1 50 50 LYS HB3 H 1 2.004 . . . . . . . A 45 LYS HB3 . 36086 1 521 . 1 1 50 50 LYS HG2 H 1 1.283 . . . . . . . A 45 LYS HG2 . 36086 1 522 . 1 1 50 50 LYS HG3 H 1 1.759 . . . . . . . A 45 LYS HG3 . 36086 1 523 . 1 1 50 50 LYS HD2 H 1 1.677 . . . . . . . A 45 LYS HD2 . 36086 1 524 . 1 1 50 50 LYS HD3 H 1 1.677 . . . . . . . A 45 LYS HD3 . 36086 1 525 . 1 1 50 50 LYS HE2 H 1 2.844 . . . . . . . A 45 LYS HE2 . 36086 1 526 . 1 1 50 50 LYS HE3 H 1 2.870 . . . . . . . A 45 LYS HE3 . 36086 1 527 . 1 1 50 50 LYS C C 13 179.761 . . . . . . . A 45 LYS C . 36086 1 528 . 1 1 50 50 LYS CA C 13 60.761 . . . . . . . A 45 LYS CA . 36086 1 529 . 1 1 50 50 LYS CB C 13 32.266 . . . . . . . A 45 LYS CB . 36086 1 530 . 1 1 50 50 LYS CG C 13 26.544 . . . . . . . A 45 LYS CG . 36086 1 531 . 1 1 50 50 LYS CD C 13 29.673 . . . . . . . A 45 LYS CD . 36086 1 532 . 1 1 50 50 LYS CE C 13 42.100 . . . . . . . A 45 LYS CE . 36086 1 533 . 1 1 50 50 LYS N N 15 119.347 . . . . . . . A 45 LYS N . 36086 1 534 . 1 1 51 51 LYS H H 1 7.684 . . . . . . . A 46 LYS H . 36086 1 535 . 1 1 51 51 LYS HA H 1 4.074 . . . . . . . A 46 LYS HA . 36086 1 536 . 1 1 51 51 LYS HB2 H 1 1.884 . . . . . . . A 46 LYS HB2 . 36086 1 537 . 1 1 51 51 LYS HB3 H 1 2.020 . . . . . . . A 46 LYS HB3 . 36086 1 538 . 1 1 51 51 LYS HG2 H 1 1.387 . . . . . . . A 46 LYS HG2 . 36086 1 539 . 1 1 51 51 LYS HG3 H 1 1.647 . . . . . . . A 46 LYS HG3 . 36086 1 540 . 1 1 51 51 LYS HD2 H 1 1.670 . . . . . . . A 46 LYS HD2 . 36086 1 541 . 1 1 51 51 LYS HD3 H 1 1.670 . . . . . . . A 46 LYS HD3 . 36086 1 542 . 1 1 51 51 LYS HE2 H 1 2.906 . . . . . . . A 46 LYS HE2 . 36086 1 543 . 1 1 51 51 LYS HE3 H 1 2.906 . . . . . . . A 46 LYS HE3 . 36086 1 544 . 1 1 51 51 LYS C C 13 178.757 . . . . . . . A 46 LYS C . 36086 1 545 . 1 1 51 51 LYS CA C 13 59.608 . . . . . . . A 46 LYS CA . 36086 1 546 . 1 1 51 51 LYS CB C 13 32.419 . . . . . . . A 46 LYS CB . 36086 1 547 . 1 1 51 51 LYS CG C 13 25.539 . . . . . . . A 46 LYS CG . 36086 1 548 . 1 1 51 51 LYS CD C 13 29.496 . . . . . . . A 46 LYS CD . 36086 1 549 . 1 1 51 51 LYS CE C 13 42.022 . . . . . . . A 46 LYS CE . 36086 1 550 . 1 1 51 51 LYS N N 15 120.646 . . . . . . . A 46 LYS N . 36086 1 551 . 1 1 52 52 ALA H H 1 8.134 . . . . . . . A 47 ALA H . 36086 1 552 . 1 1 52 52 ALA HA H 1 4.074 . . . . . . . A 47 ALA HA . 36086 1 553 . 1 1 52 52 ALA HB1 H 1 1.837 . . . . . . . A 47 ALA HB1 . 36086 1 554 . 1 1 52 52 ALA HB2 H 1 1.837 . . . . . . . A 47 ALA HB2 . 36086 1 555 . 1 1 52 52 ALA HB3 H 1 1.837 . . . . . . . A 47 ALA HB3 . 36086 1 556 . 1 1 52 52 ALA C C 13 178.573 . . . . . . . A 47 ALA C . 36086 1 557 . 1 1 52 52 ALA CA C 13 54.866 . . . . . . . A 47 ALA CA . 36086 1 558 . 1 1 52 52 ALA CB C 13 18.481 . . . . . . . A 47 ALA CB . 36086 1 559 . 1 1 52 52 ALA N N 15 120.751 . . . . . . . A 47 ALA N . 36086 1 560 . 1 1 53 53 PHE H H 1 8.485 . . . . . . . A 48 PHE H . 36086 1 561 . 1 1 53 53 PHE HA H 1 3.081 . . . . . . . A 48 PHE HA . 36086 1 562 . 1 1 53 53 PHE HB2 H 1 2.861 . . . . . . . A 48 PHE HB2 . 36086 1 563 . 1 1 53 53 PHE HB3 H 1 3.181 . . . . . . . A 48 PHE HB3 . 36086 1 564 . 1 1 53 53 PHE HD1 H 1 6.625 . . . . . . . A 48 PHE HD1 . 36086 1 565 . 1 1 53 53 PHE HD2 H 1 6.625 . . . . . . . A 48 PHE HD2 . 36086 1 566 . 1 1 53 53 PHE HE1 H 1 6.866 . . . . . . . A 48 PHE HE1 . 36086 1 567 . 1 1 53 53 PHE HE2 H 1 6.866 . . . . . . . A 48 PHE HE2 . 36086 1 568 . 1 1 53 53 PHE HZ H 1 7.064 . . . . . . . A 48 PHE HZ . 36086 1 569 . 1 1 53 53 PHE C C 13 175.233 . . . . . . . A 48 PHE C . 36086 1 570 . 1 1 53 53 PHE CA C 13 61.930 . . . . . . . A 48 PHE CA . 36086 1 571 . 1 1 53 53 PHE CB C 13 39.347 . . . . . . . A 48 PHE CB . 36086 1 572 . 1 1 53 53 PHE CD1 C 13 131.583 . . . . . . . A 48 PHE CD1 . 36086 1 573 . 1 1 53 53 PHE CE1 C 13 130.760 . . . . . . . A 48 PHE CE1 . 36086 1 574 . 1 1 53 53 PHE N N 15 118.556 . . . . . . . A 48 PHE N . 36086 1 575 . 1 1 54 54 ALA H H 1 7.403 . . . . . . . A 49 ALA H . 36086 1 576 . 1 1 54 54 ALA HA H 1 4.011 . . . . . . . A 49 ALA HA . 36086 1 577 . 1 1 54 54 ALA HB1 H 1 1.504 . . . . . . . A 49 ALA HB1 . 36086 1 578 . 1 1 54 54 ALA HB2 H 1 1.504 . . . . . . . A 49 ALA HB2 . 36086 1 579 . 1 1 54 54 ALA HB3 H 1 1.504 . . . . . . . A 49 ALA HB3 . 36086 1 580 . 1 1 54 54 ALA C C 13 178.669 . . . . . . . A 49 ALA C . 36086 1 581 . 1 1 54 54 ALA CA C 13 54.215 . . . . . . . A 49 ALA CA . 36086 1 582 . 1 1 54 54 ALA CB C 13 18.340 . . . . . . . A 49 ALA CB . 36086 1 583 . 1 1 54 54 ALA N N 15 116.992 . . . . . . . A 49 ALA N . 36086 1 584 . 1 1 55 55 ILE H H 1 7.106 . . . . . . . A 50 ILE H . 36086 1 585 . 1 1 55 55 ILE HA H 1 3.423 . . . . . . . A 50 ILE HA . 36086 1 586 . 1 1 55 55 ILE HB H 1 1.555 . . . . . . . A 50 ILE HB . 36086 1 587 . 1 1 55 55 ILE HG12 H 1 0.695 . . . . . . . A 50 ILE HG12 . 36086 1 588 . 1 1 55 55 ILE HG13 H 1 1.479 . . . . . . . A 50 ILE HG13 . 36086 1 589 . 1 1 55 55 ILE HG21 H 1 0.459 . . . . . . . A 50 ILE HG21 . 36086 1 590 . 1 1 55 55 ILE HG22 H 1 0.459 . . . . . . . A 50 ILE HG22 . 36086 1 591 . 1 1 55 55 ILE HG23 H 1 0.459 . . . . . . . A 50 ILE HG23 . 36086 1 592 . 1 1 55 55 ILE HD11 H 1 0.032 . . . . . . . A 50 ILE HD11 . 36086 1 593 . 1 1 55 55 ILE HD12 H 1 0.032 . . . . . . . A 50 ILE HD12 . 36086 1 594 . 1 1 55 55 ILE HD13 H 1 0.032 . . . . . . . A 50 ILE HD13 . 36086 1 595 . 1 1 55 55 ILE C C 13 176.334 . . . . . . . A 50 ILE C . 36086 1 596 . 1 1 55 55 ILE CA C 13 63.895 . . . . . . . A 50 ILE CA . 36086 1 597 . 1 1 55 55 ILE CB C 13 37.952 . . . . . . . A 50 ILE CB . 36086 1 598 . 1 1 55 55 ILE CG1 C 13 28.335 . . . . . . . A 50 ILE CG1 . 36086 1 599 . 1 1 55 55 ILE CG2 C 13 17.873 . . . . . . . A 50 ILE CG2 . 36086 1 600 . 1 1 55 55 ILE CD1 C 13 12.620 . . . . . . . A 50 ILE CD1 . 36086 1 601 . 1 1 55 55 ILE N N 15 116.101 . . . . . . . A 50 ILE N . 36086 1 602 . 1 1 56 56 ILE H H 1 7.082 . . . . . . . A 51 ILE H . 36086 1 603 . 1 1 56 56 ILE HA H 1 3.540 . . . . . . . A 51 ILE HA . 36086 1 604 . 1 1 56 56 ILE HB H 1 1.369 . . . . . . . A 51 ILE HB . 36086 1 605 . 1 1 56 56 ILE HG12 H 1 1.212 . . . . . . . A 51 ILE HG12 . 36086 1 606 . 1 1 56 56 ILE HG13 H 1 1.754 . . . . . . . A 51 ILE HG13 . 36086 1 607 . 1 1 56 56 ILE HG21 H 1 0.985 . . . . . . . A 51 ILE HG21 . 36086 1 608 . 1 1 56 56 ILE HG22 H 1 0.985 . . . . . . . A 51 ILE HG22 . 36086 1 609 . 1 1 56 56 ILE HG23 H 1 0.985 . . . . . . . A 51 ILE HG23 . 36086 1 610 . 1 1 56 56 ILE HD11 H 1 1.003 . . . . . . . A 51 ILE HD11 . 36086 1 611 . 1 1 56 56 ILE HD12 H 1 1.003 . . . . . . . A 51 ILE HD12 . 36086 1 612 . 1 1 56 56 ILE HD13 H 1 1.003 . . . . . . . A 51 ILE HD13 . 36086 1 613 . 1 1 56 56 ILE C C 13 177.588 . . . . . . . A 51 ILE C . 36086 1 614 . 1 1 56 56 ILE CA C 13 62.970 . . . . . . . A 51 ILE CA . 36086 1 615 . 1 1 56 56 ILE CB C 13 37.856 . . . . . . . A 51 ILE CB . 36086 1 616 . 1 1 56 56 ILE CG1 C 13 28.847 . . . . . . . A 51 ILE CG1 . 36086 1 617 . 1 1 56 56 ILE CG2 C 13 18.448 . . . . . . . A 51 ILE CG2 . 36086 1 618 . 1 1 56 56 ILE CD1 C 13 14.328 . . . . . . . A 51 ILE CD1 . 36086 1 619 . 1 1 56 56 ILE N N 15 117.356 . . . . . . . A 51 ILE N . 36086 1 620 . 1 1 57 57 ASP H H 1 7.657 . . . . . . . A 52 ASP H . 36086 1 621 . 1 1 57 57 ASP HA H 1 4.483 . . . . . . . A 52 ASP HA . 36086 1 622 . 1 1 57 57 ASP HB2 H 1 1.330 . . . . . . . A 52 ASP HB2 . 36086 1 623 . 1 1 57 57 ASP HB3 H 1 2.405 . . . . . . . A 52 ASP HB3 . 36086 1 624 . 1 1 57 57 ASP C C 13 176.903 . . . . . . . A 52 ASP C . 36086 1 625 . 1 1 57 57 ASP CA C 13 52.058 . . . . . . . A 52 ASP CA . 36086 1 626 . 1 1 57 57 ASP CB C 13 38.159 . . . . . . . A 52 ASP CB . 36086 1 627 . 1 1 57 57 ASP N N 15 118.185 . . . . . . . A 52 ASP N . 36086 1 628 . 1 1 58 58 GLN H H 1 7.681 . . . . . . . A 53 GLN H . 36086 1 629 . 1 1 58 58 GLN HA H 1 3.832 . . . . . . . A 53 GLN HA . 36086 1 630 . 1 1 58 58 GLN HB2 H 1 1.944 . . . . . . . A 53 GLN HB2 . 36086 1 631 . 1 1 58 58 GLN HB3 H 1 2.204 . . . . . . . A 53 GLN HB3 . 36086 1 632 . 1 1 58 58 GLN HG2 H 1 2.463 . . . . . . . A 53 GLN HG2 . 36086 1 633 . 1 1 58 58 GLN HG3 H 1 2.655 . . . . . . . A 53 GLN HG3 . 36086 1 634 . 1 1 58 58 GLN HE21 H 1 6.551 . . . . . . . A 53 GLN HE21 . 36086 1 635 . 1 1 58 58 GLN HE22 H 1 7.779 . . . . . . . A 53 GLN HE22 . 36086 1 636 . 1 1 58 58 GLN C C 13 177.771 . . . . . . . A 53 GLN C . 36086 1 637 . 1 1 58 58 GLN CA C 13 59.548 . . . . . . . A 53 GLN CA . 36086 1 638 . 1 1 58 58 GLN CB C 13 29.302 . . . . . . . A 53 GLN CB . 36086 1 639 . 1 1 58 58 GLN CG C 13 34.251 . . . . . . . A 53 GLN CG . 36086 1 640 . 1 1 58 58 GLN CD C 13 179.625 . . . . . . . A 53 GLN CD . 36086 1 641 . 1 1 58 58 GLN N N 15 126.403 . . . . . . . A 53 GLN N . 36086 1 642 . 1 1 58 58 GLN NE2 N 15 111.814 . . . . . . . A 53 GLN NE2 . 36086 1 643 . 1 1 59 59 ASP H H 1 8.290 . . . . . . . A 54 ASP H . 36086 1 644 . 1 1 59 59 ASP HA H 1 4.584 . . . . . . . A 54 ASP HA . 36086 1 645 . 1 1 59 59 ASP HB2 H 1 2.716 . . . . . . . A 54 ASP HB2 . 36086 1 646 . 1 1 59 59 ASP HB3 H 1 3.082 . . . . . . . A 54 ASP HB3 . 36086 1 647 . 1 1 59 59 ASP C C 13 176.321 . . . . . . . A 54 ASP C . 36086 1 648 . 1 1 59 59 ASP CA C 13 52.802 . . . . . . . A 54 ASP CA . 36086 1 649 . 1 1 59 59 ASP CB C 13 39.635 . . . . . . . A 54 ASP CB . 36086 1 650 . 1 1 59 59 ASP N N 15 114.571 . . . . . . . A 54 ASP N . 36086 1 651 . 1 1 60 60 LYS H H 1 7.884 . . . . . . . A 55 LYS H . 36086 1 652 . 1 1 60 60 LYS HA H 1 3.911 . . . . . . . A 55 LYS HA . 36086 1 653 . 1 1 60 60 LYS HB2 H 1 1.909 . . . . . . . A 55 LYS HB2 . 36086 1 654 . 1 1 60 60 LYS HB3 H 1 2.039 . . . . . . . A 55 LYS HB3 . 36086 1 655 . 1 1 60 60 LYS HG2 H 1 1.391 . . . . . . . A 55 LYS HG2 . 36086 1 656 . 1 1 60 60 LYS HG3 H 1 1.391 . . . . . . . A 55 LYS HG3 . 36086 1 657 . 1 1 60 60 LYS HD2 H 1 1.639 . . . . . . . A 55 LYS HD2 . 36086 1 658 . 1 1 60 60 LYS HD3 H 1 1.744 . . . . . . . A 55 LYS HD3 . 36086 1 659 . 1 1 60 60 LYS HE2 H 1 2.971 . . . . . . . A 55 LYS HE2 . 36086 1 660 . 1 1 60 60 LYS HE3 H 1 3.023 . . . . . . . A 55 LYS HE3 . 36086 1 661 . 1 1 60 60 LYS C C 13 176.681 . . . . . . . A 55 LYS C . 36086 1 662 . 1 1 60 60 LYS CA C 13 56.891 . . . . . . . A 55 LYS CA . 36086 1 663 . 1 1 60 60 LYS CB C 13 28.660 . . . . . . . A 55 LYS CB . 36086 1 664 . 1 1 60 60 LYS CG C 13 24.633 . . . . . . . A 55 LYS CG . 36086 1 665 . 1 1 60 60 LYS CD C 13 28.426 . . . . . . . A 55 LYS CD . 36086 1 666 . 1 1 60 60 LYS CE C 13 42.726 . . . . . . . A 55 LYS CE . 36086 1 667 . 1 1 60 60 LYS N N 15 115.923 . . . . . . . A 55 LYS N . 36086 1 668 . 1 1 61 61 SER H H 1 8.867 . . . . . . . A 56 SER H . 36086 1 669 . 1 1 61 61 SER HA H 1 4.342 . . . . . . . A 56 SER HA . 36086 1 670 . 1 1 61 61 SER HB2 H 1 4.258 . . . . . . . A 56 SER HB2 . 36086 1 671 . 1 1 61 61 SER HB3 H 1 4.258 . . . . . . . A 56 SER HB3 . 36086 1 672 . 1 1 61 61 SER C C 13 176.322 . . . . . . . A 56 SER C . 36086 1 673 . 1 1 61 61 SER CA C 13 59.396 . . . . . . . A 56 SER CA . 36086 1 674 . 1 1 61 61 SER CB C 13 64.469 . . . . . . . A 56 SER CB . 36086 1 675 . 1 1 61 61 SER N N 15 116.376 . . . . . . . A 56 SER N . 36086 1 676 . 1 1 62 62 GLY H H 1 10.452 . . . . . . . A 57 GLY H . 36086 1 677 . 1 1 62 62 GLY HA2 H 1 4.126 . . . . . . . A 57 GLY HA2 . 36086 1 678 . 1 1 62 62 GLY HA3 H 1 3.385 . . . . . . . A 57 GLY HA3 . 36086 1 679 . 1 1 62 62 GLY C C 13 171.249 . . . . . . . A 57 GLY C . 36086 1 680 . 1 1 62 62 GLY CA C 13 44.751 . . . . . . . A 57 GLY CA . 36086 1 681 . 1 1 62 62 GLY N N 15 114.883 . . . . . . . A 57 GLY N . 36086 1 682 . 1 1 63 63 PHE H H 1 7.993 . . . . . . . A 58 PHE H . 36086 1 683 . 1 1 63 63 PHE HA H 1 5.106 . . . . . . . A 58 PHE HA . 36086 1 684 . 1 1 63 63 PHE HB2 H 1 2.494 . . . . . . . A 58 PHE HB2 . 36086 1 685 . 1 1 63 63 PHE HB3 H 1 2.861 . . . . . . . A 58 PHE HB3 . 36086 1 686 . 1 1 63 63 PHE HD1 H 1 7.017 . . . . . . . A 58 PHE HD1 . 36086 1 687 . 1 1 63 63 PHE HD2 H 1 7.017 . . . . . . . A 58 PHE HD2 . 36086 1 688 . 1 1 63 63 PHE HE1 H 1 7.409 . . . . . . . A 58 PHE HE1 . 36086 1 689 . 1 1 63 63 PHE HE2 H 1 7.409 . . . . . . . A 58 PHE HE2 . 36086 1 690 . 1 1 63 63 PHE C C 13 173.824 . . . . . . . A 58 PHE C . 36086 1 691 . 1 1 63 63 PHE CA C 13 56.280 . . . . . . . A 58 PHE CA . 36086 1 692 . 1 1 63 63 PHE CB C 13 44.329 . . . . . . . A 58 PHE CB . 36086 1 693 . 1 1 63 63 PHE CD1 C 13 132.561 . . . . . . . A 58 PHE CD1 . 36086 1 694 . 1 1 63 63 PHE N N 15 114.026 . . . . . . . A 58 PHE N . 36086 1 695 . 1 1 64 64 ILE H H 1 9.987 . . . . . . . A 59 ILE H . 36086 1 696 . 1 1 64 64 ILE HA H 1 4.806 . . . . . . . A 59 ILE HA . 36086 1 697 . 1 1 64 64 ILE HB H 1 1.701 . . . . . . . A 59 ILE HB . 36086 1 698 . 1 1 64 64 ILE HG12 H 1 0.190 . . . . . . . A 59 ILE HG12 . 36086 1 699 . 1 1 64 64 ILE HG13 H 1 0.990 . . . . . . . A 59 ILE HG13 . 36086 1 700 . 1 1 64 64 ILE HG21 H 1 0.737 . . . . . . . A 59 ILE HG21 . 36086 1 701 . 1 1 64 64 ILE HG22 H 1 0.737 . . . . . . . A 59 ILE HG22 . 36086 1 702 . 1 1 64 64 ILE HG23 H 1 0.737 . . . . . . . A 59 ILE HG23 . 36086 1 703 . 1 1 64 64 ILE HD11 H 1 0.193 . . . . . . . A 59 ILE HD11 . 36086 1 704 . 1 1 64 64 ILE HD12 H 1 0.193 . . . . . . . A 59 ILE HD12 . 36086 1 705 . 1 1 64 64 ILE HD13 H 1 0.193 . . . . . . . A 59 ILE HD13 . 36086 1 706 . 1 1 64 64 ILE C C 13 176.471 . . . . . . . A 59 ILE C . 36086 1 707 . 1 1 64 64 ILE CA C 13 60.061 . . . . . . . A 59 ILE CA . 36086 1 708 . 1 1 64 64 ILE CB C 13 38.006 . . . . . . . A 59 ILE CB . 36086 1 709 . 1 1 64 64 ILE CG1 C 13 26.647 . . . . . . . A 59 ILE CG1 . 36086 1 710 . 1 1 64 64 ILE CG2 C 13 18.452 . . . . . . . A 59 ILE CG2 . 36086 1 711 . 1 1 64 64 ILE CD1 C 13 14.320 . . . . . . . A 59 ILE CD1 . 36086 1 712 . 1 1 64 64 ILE N N 15 126.394 . . . . . . . A 59 ILE N . 36086 1 713 . 1 1 65 65 GLU H H 1 7.700 . . . . . . . A 60 GLU H . 36086 1 714 . 1 1 65 65 GLU HA H 1 4.565 . . . . . . . A 60 GLU HA . 36086 1 715 . 1 1 65 65 GLU HB2 H 1 2.071 . . . . . . . A 60 GLU HB2 . 36086 1 716 . 1 1 65 65 GLU HB3 H 1 2.325 . . . . . . . A 60 GLU HB3 . 36086 1 717 . 1 1 65 65 GLU HG2 H 1 1.874 . . . . . . . A 60 GLU HG2 . 36086 1 718 . 1 1 65 65 GLU HG3 H 1 2.657 . . . . . . . A 60 GLU HG3 . 36086 1 719 . 1 1 65 65 GLU C C 13 177.644 . . . . . . . A 60 GLU C . 36086 1 720 . 1 1 65 65 GLU CA C 13 57.239 . . . . . . . A 60 GLU CA . 36086 1 721 . 1 1 65 65 GLU CB C 13 29.489 . . . . . . . A 60 GLU CB . 36086 1 722 . 1 1 65 65 GLU CG C 13 37.528 . . . . . . . A 60 GLU CG . 36086 1 723 . 1 1 65 65 GLU N N 15 125.943 . . . . . . . A 60 GLU N . 36086 1 724 . 1 1 66 66 GLU H H 1 9.440 . . . . . . . A 61 GLU H . 36086 1 725 . 1 1 66 66 GLU HA H 1 3.601 . . . . . . . A 61 GLU HA . 36086 1 726 . 1 1 66 66 GLU HB2 H 1 2.035 . . . . . . . A 61 GLU HB2 . 36086 1 727 . 1 1 66 66 GLU HB3 H 1 2.092 . . . . . . . A 61 GLU HB3 . 36086 1 728 . 1 1 66 66 GLU HG2 H 1 2.129 . . . . . . . A 61 GLU HG2 . 36086 1 729 . 1 1 66 66 GLU HG3 H 1 2.178 . . . . . . . A 61 GLU HG3 . 36086 1 730 . 1 1 66 66 GLU C C 13 177.954 . . . . . . . A 61 GLU C . 36086 1 731 . 1 1 66 66 GLU CA C 13 61.682 . . . . . . . A 61 GLU CA . 36086 1 732 . 1 1 66 66 GLU CB C 13 29.960 . . . . . . . A 61 GLU CB . 36086 1 733 . 1 1 66 66 GLU CG C 13 36.892 . . . . . . . A 61 GLU CG . 36086 1 734 . 1 1 66 66 GLU N N 15 123.126 . . . . . . . A 61 GLU N . 36086 1 735 . 1 1 67 67 GLU H H 1 9.106 . . . . . . . A 62 GLU H . 36086 1 736 . 1 1 67 67 GLU HA H 1 4.039 . . . . . . . A 62 GLU HA . 36086 1 737 . 1 1 67 67 GLU HB2 H 1 2.040 . . . . . . . A 62 GLU HB2 . 36086 1 738 . 1 1 67 67 GLU HB3 H 1 2.040 . . . . . . . A 62 GLU HB3 . 36086 1 739 . 1 1 67 67 GLU HG2 H 1 2.360 . . . . . . . A 62 GLU HG2 . 36086 1 740 . 1 1 67 67 GLU HG3 H 1 2.396 . . . . . . . A 62 GLU HG3 . 36086 1 741 . 1 1 67 67 GLU C C 13 178.803 . . . . . . . A 62 GLU C . 36086 1 742 . 1 1 67 67 GLU CA C 13 59.899 . . . . . . . A 62 GLU CA . 36086 1 743 . 1 1 67 67 GLU CB C 13 29.260 . . . . . . . A 62 GLU CB . 36086 1 744 . 1 1 67 67 GLU CG C 13 36.427 . . . . . . . A 62 GLU CG . 36086 1 745 . 1 1 67 67 GLU N N 15 116.214 . . . . . . . A 62 GLU N . 36086 1 746 . 1 1 68 68 GLU H H 1 7.076 . . . . . . . A 63 GLU H . 36086 1 747 . 1 1 68 68 GLU HA H 1 4.074 . . . . . . . A 63 GLU HA . 36086 1 748 . 1 1 68 68 GLU HB2 H 1 2.024 . . . . . . . A 63 GLU HB2 . 36086 1 749 . 1 1 68 68 GLU HB3 H 1 2.635 . . . . . . . A 63 GLU HB3 . 36086 1 750 . 1 1 68 68 GLU HG2 H 1 2.394 . . . . . . . A 63 GLU HG2 . 36086 1 751 . 1 1 68 68 GLU HG3 H 1 2.602 . . . . . . . A 63 GLU HG3 . 36086 1 752 . 1 1 68 68 GLU C C 13 179.834 . . . . . . . A 63 GLU C . 36086 1 753 . 1 1 68 68 GLU CA C 13 57.636 . . . . . . . A 63 GLU CA . 36086 1 754 . 1 1 68 68 GLU CB C 13 30.186 . . . . . . . A 63 GLU CB . 36086 1 755 . 1 1 68 68 GLU CG C 13 36.774 . . . . . . . A 63 GLU CG . 36086 1 756 . 1 1 68 68 GLU N N 15 115.965 . . . . . . . A 63 GLU N . 36086 1 757 . 1 1 69 69 LEU H H 1 7.832 . . . . . . . A 64 LEU H . 36086 1 758 . 1 1 69 69 LEU HA H 1 3.963 . . . . . . . A 64 LEU HA . 36086 1 759 . 1 1 69 69 LEU HB2 H 1 1.278 . . . . . . . A 64 LEU HB2 . 36086 1 760 . 1 1 69 69 LEU HB3 H 1 1.830 . . . . . . . A 64 LEU HB3 . 36086 1 761 . 1 1 69 69 LEU HG H 1 1.378 . . . . . . . A 64 LEU HG . 36086 1 762 . 1 1 69 69 LEU HD11 H 1 0.317 . . . . . . . A 64 LEU HD11 . 36086 1 763 . 1 1 69 69 LEU HD12 H 1 0.317 . . . . . . . A 64 LEU HD12 . 36086 1 764 . 1 1 69 69 LEU HD13 H 1 0.317 . . . . . . . A 64 LEU HD13 . 36086 1 765 . 1 1 69 69 LEU HD21 H 1 -0.074 . . . . . . . A 64 LEU HD21 . 36086 1 766 . 1 1 69 69 LEU HD22 H 1 -0.074 . . . . . . . A 64 LEU HD22 . 36086 1 767 . 1 1 69 69 LEU HD23 H 1 -0.074 . . . . . . . A 64 LEU HD23 . 36086 1 768 . 1 1 69 69 LEU C C 13 178.617 . . . . . . . A 64 LEU C . 36086 1 769 . 1 1 69 69 LEU CA C 13 56.843 . . . . . . . A 64 LEU CA . 36086 1 770 . 1 1 69 69 LEU CB C 13 41.410 . . . . . . . A 64 LEU CB . 36086 1 771 . 1 1 69 69 LEU CG C 13 25.503 . . . . . . . A 64 LEU CG . 36086 1 772 . 1 1 69 69 LEU CD1 C 13 25.124 . . . . . . . A 64 LEU CD1 . 36086 1 773 . 1 1 69 69 LEU CD2 C 13 22.544 . . . . . . . A 64 LEU CD2 . 36086 1 774 . 1 1 69 69 LEU N N 15 121.034 . . . . . . . A 64 LEU N . 36086 1 775 . 1 1 70 70 LYS H H 1 7.993 . . . . . . . A 65 LYS H . 36086 1 776 . 1 1 70 70 LYS HA H 1 4.134 . . . . . . . A 65 LYS HA . 36086 1 777 . 1 1 70 70 LYS HB2 H 1 1.954 . . . . . . . A 65 LYS HB2 . 36086 1 778 . 1 1 70 70 LYS HB3 H 1 1.954 . . . . . . . A 65 LYS HB3 . 36086 1 779 . 1 1 70 70 LYS HG2 H 1 1.422 . . . . . . . A 65 LYS HG2 . 36086 1 780 . 1 1 70 70 LYS HG3 H 1 1.796 . . . . . . . A 65 LYS HG3 . 36086 1 781 . 1 1 70 70 LYS HD2 H 1 1.698 . . . . . . . A 65 LYS HD2 . 36086 1 782 . 1 1 70 70 LYS HD3 H 1 1.698 . . . . . . . A 65 LYS HD3 . 36086 1 783 . 1 1 70 70 LYS HE2 H 1 2.965 . . . . . . . A 65 LYS HE2 . 36086 1 784 . 1 1 70 70 LYS HE3 H 1 2.965 . . . . . . . A 65 LYS HE3 . 36086 1 785 . 1 1 70 70 LYS C C 13 178.951 . . . . . . . A 65 LYS C . 36086 1 786 . 1 1 70 70 LYS CA C 13 59.558 . . . . . . . A 65 LYS CA . 36086 1 787 . 1 1 70 70 LYS CB C 13 32.394 . . . . . . . A 65 LYS CB . 36086 1 788 . 1 1 70 70 LYS CG C 13 25.057 . . . . . . . A 65 LYS CG . 36086 1 789 . 1 1 70 70 LYS CD C 13 29.461 . . . . . . . A 65 LYS CD . 36086 1 790 . 1 1 70 70 LYS CE C 13 42.258 . . . . . . . A 65 LYS CE . 36086 1 791 . 1 1 70 70 LYS N N 15 119.066 . . . . . . . A 65 LYS N . 36086 1 792 . 1 1 71 71 LEU H H 1 7.054 . . . . . . . A 66 LEU H . 36086 1 793 . 1 1 71 71 LEU HA H 1 4.509 . . . . . . . A 66 LEU HA . 36086 1 794 . 1 1 71 71 LEU HB2 H 1 1.667 . . . . . . . A 66 LEU HB2 . 36086 1 795 . 1 1 71 71 LEU HB3 H 1 1.818 . . . . . . . A 66 LEU HB3 . 36086 1 796 . 1 1 71 71 LEU HG H 1 1.830 . . . . . . . A 66 LEU HG . 36086 1 797 . 1 1 71 71 LEU HD11 H 1 0.964 . . . . . . . A 66 LEU HD11 . 36086 1 798 . 1 1 71 71 LEU HD12 H 1 0.964 . . . . . . . A 66 LEU HD12 . 36086 1 799 . 1 1 71 71 LEU HD13 H 1 0.964 . . . . . . . A 66 LEU HD13 . 36086 1 800 . 1 1 71 71 LEU HD21 H 1 0.820 . . . . . . . A 66 LEU HD21 . 36086 1 801 . 1 1 71 71 LEU HD22 H 1 0.820 . . . . . . . A 66 LEU HD22 . 36086 1 802 . 1 1 71 71 LEU HD23 H 1 0.820 . . . . . . . A 66 LEU HD23 . 36086 1 803 . 1 1 71 71 LEU C C 13 177.051 . . . . . . . A 66 LEU C . 36086 1 804 . 1 1 71 71 LEU CA C 13 53.847 . . . . . . . A 66 LEU CA . 36086 1 805 . 1 1 71 71 LEU CB C 13 40.470 . . . . . . . A 66 LEU CB . 36086 1 806 . 1 1 71 71 LEU CG C 13 26.374 . . . . . . . A 66 LEU CG . 36086 1 807 . 1 1 71 71 LEU CD1 C 13 25.355 . . . . . . . A 66 LEU CD1 . 36086 1 808 . 1 1 71 71 LEU CD2 C 13 20.896 . . . . . . . A 66 LEU CD2 . 36086 1 809 . 1 1 71 71 LEU N N 15 116.031 . . . . . . . A 66 LEU N . 36086 1 810 . 1 1 72 72 PHE H H 1 7.649 . . . . . . . A 67 PHE H . 36086 1 811 . 1 1 72 72 PHE HA H 1 3.871 . . . . . . . A 67 PHE HA . 36086 1 812 . 1 1 72 72 PHE HB2 H 1 2.639 . . . . . . . A 67 PHE HB2 . 36086 1 813 . 1 1 72 72 PHE HB3 H 1 3.975 . . . . . . . A 67 PHE HB3 . 36086 1 814 . 1 1 72 72 PHE HD1 H 1 6.987 . . . . . . . A 67 PHE HD1 . 36086 1 815 . 1 1 72 72 PHE HD2 H 1 6.987 . . . . . . . A 67 PHE HD2 . 36086 1 816 . 1 1 72 72 PHE HE1 H 1 7.063 . . . . . . . A 67 PHE HE1 . 36086 1 817 . 1 1 72 72 PHE HE2 H 1 7.063 . . . . . . . A 67 PHE HE2 . 36086 1 818 . 1 1 72 72 PHE HZ H 1 7.408 . . . . . . . A 67 PHE HZ . 36086 1 819 . 1 1 72 72 PHE C C 13 178.001 . . . . . . . A 67 PHE C . 36086 1 820 . 1 1 72 72 PHE CA C 13 62.613 . . . . . . . A 67 PHE CA . 36086 1 821 . 1 1 72 72 PHE CB C 13 42.645 . . . . . . . A 67 PHE CB . 36086 1 822 . 1 1 72 72 PHE CD1 C 13 132.170 . . . . . . . A 67 PHE CD1 . 36086 1 823 . 1 1 72 72 PHE CE1 C 13 131.631 . . . . . . . A 67 PHE CE1 . 36086 1 824 . 1 1 72 72 PHE CZ C 13 129.293 . . . . . . . A 67 PHE CZ . 36086 1 825 . 1 1 72 72 PHE N N 15 119.777 . . . . . . . A 67 PHE N . 36086 1 826 . 1 1 73 73 LEU H H 1 9.466 . . . . . . . A 68 LEU H . 36086 1 827 . 1 1 73 73 LEU HA H 1 3.912 . . . . . . . A 68 LEU HA . 36086 1 828 . 1 1 73 73 LEU HB2 H 1 1.277 . . . . . . . A 68 LEU HB2 . 36086 1 829 . 1 1 73 73 LEU HB3 H 1 1.961 . . . . . . . A 68 LEU HB3 . 36086 1 830 . 1 1 73 73 LEU HG H 1 1.559 . . . . . . . A 68 LEU HG . 36086 1 831 . 1 1 73 73 LEU HD11 H 1 0.853 . . . . . . . A 68 LEU HD11 . 36086 1 832 . 1 1 73 73 LEU HD12 H 1 0.853 . . . . . . . A 68 LEU HD12 . 36086 1 833 . 1 1 73 73 LEU HD13 H 1 0.853 . . . . . . . A 68 LEU HD13 . 36086 1 834 . 1 1 73 73 LEU HD21 H 1 0.477 . . . . . . . A 68 LEU HD21 . 36086 1 835 . 1 1 73 73 LEU HD22 H 1 0.477 . . . . . . . A 68 LEU HD22 . 36086 1 836 . 1 1 73 73 LEU HD23 H 1 0.477 . . . . . . . A 68 LEU HD23 . 36086 1 837 . 1 1 73 73 LEU C C 13 179.854 . . . . . . . A 68 LEU C . 36086 1 838 . 1 1 73 73 LEU CA C 13 57.305 . . . . . . . A 68 LEU CA . 36086 1 839 . 1 1 73 73 LEU CB C 13 41.508 . . . . . . . A 68 LEU CB . 36086 1 840 . 1 1 73 73 LEU CG C 13 26.900 . . . . . . . A 68 LEU CG . 36086 1 841 . 1 1 73 73 LEU CD1 C 13 25.561 . . . . . . . A 68 LEU CD1 . 36086 1 842 . 1 1 73 73 LEU CD2 C 13 23.373 . . . . . . . A 68 LEU CD2 . 36086 1 843 . 1 1 73 73 LEU N N 15 114.717 . . . . . . . A 68 LEU N . 36086 1 844 . 1 1 74 74 GLN H H 1 7.710 . . . . . . . A 69 GLN H . 36086 1 845 . 1 1 74 74 GLN HA H 1 4.522 . . . . . . . A 69 GLN HA . 36086 1 846 . 1 1 74 74 GLN HB2 H 1 2.160 . . . . . . . A 69 GLN HB2 . 36086 1 847 . 1 1 74 74 GLN HB3 H 1 2.210 . . . . . . . A 69 GLN HB3 . 36086 1 848 . 1 1 74 74 GLN HG2 H 1 2.226 . . . . . . . A 69 GLN HG2 . 36086 1 849 . 1 1 74 74 GLN HG3 H 1 2.543 . . . . . . . A 69 GLN HG3 . 36086 1 850 . 1 1 74 74 GLN HE21 H 1 6.835 . . . . . . . A 69 GLN HE21 . 36086 1 851 . 1 1 74 74 GLN HE22 H 1 6.962 . . . . . . . A 69 GLN HE22 . 36086 1 852 . 1 1 74 74 GLN C C 13 176.849 . . . . . . . A 69 GLN C . 36086 1 853 . 1 1 74 74 GLN CA C 13 56.920 . . . . . . . A 69 GLN CA . 36086 1 854 . 1 1 74 74 GLN CB C 13 26.459 . . . . . . . A 69 GLN CB . 36086 1 855 . 1 1 74 74 GLN CG C 13 34.475 . . . . . . . A 69 GLN CG . 36086 1 856 . 1 1 74 74 GLN CD C 13 179.584 . . . . . . . A 69 GLN CD . 36086 1 857 . 1 1 74 74 GLN N N 15 116.095 . . . . . . . A 69 GLN N . 36086 1 858 . 1 1 74 74 GLN NE2 N 15 107.311 . . . . . . . A 69 GLN NE2 . 36086 1 859 . 1 1 75 75 ASN H H 1 7.199 . . . . . . . A 70 ASN H . 36086 1 860 . 1 1 75 75 ASN HA H 1 4.324 . . . . . . . A 70 ASN HA . 36086 1 861 . 1 1 75 75 ASN HB2 H 1 2.047 . . . . . . . A 70 ASN HB2 . 36086 1 862 . 1 1 75 75 ASN HB3 H 1 2.154 . . . . . . . A 70 ASN HB3 . 36086 1 863 . 1 1 75 75 ASN HD21 H 1 7.332 . . . . . . . A 70 ASN HD21 . 36086 1 864 . 1 1 75 75 ASN HD22 H 1 8.185 . . . . . . . A 70 ASN HD22 . 36086 1 865 . 1 1 75 75 ASN C C 13 173.762 . . . . . . . A 70 ASN C . 36086 1 866 . 1 1 75 75 ASN CA C 13 55.344 . . . . . . . A 70 ASN CA . 36086 1 867 . 1 1 75 75 ASN CB C 13 40.010 . . . . . . . A 70 ASN CB . 36086 1 868 . 1 1 75 75 ASN N N 15 113.005 . . . . . . . A 70 ASN N . 36086 1 869 . 1 1 75 75 ASN ND2 N 15 118.349 . . . . . . . A 70 ASN ND2 . 36086 1 870 . 1 1 76 76 PHE H H 1 7.785 . . . . . . . A 71 PHE H . 36086 1 871 . 1 1 76 76 PHE HA H 1 4.323 . . . . . . . A 71 PHE HA . 36086 1 872 . 1 1 76 76 PHE HB2 H 1 3.033 . . . . . . . A 71 PHE HB2 . 36086 1 873 . 1 1 76 76 PHE HB3 H 1 3.168 . . . . . . . A 71 PHE HB3 . 36086 1 874 . 1 1 76 76 PHE HD1 H 1 7.063 . . . . . . . A 71 PHE HD1 . 36086 1 875 . 1 1 76 76 PHE HD2 H 1 7.063 . . . . . . . A 71 PHE HD2 . 36086 1 876 . 1 1 76 76 PHE HE1 H 1 6.165 . . . . . . . A 71 PHE HE1 . 36086 1 877 . 1 1 76 76 PHE HE2 H 1 6.165 . . . . . . . A 71 PHE HE2 . 36086 1 878 . 1 1 76 76 PHE HZ H 1 6.672 . . . . . . . A 71 PHE HZ . 36086 1 879 . 1 1 76 76 PHE C C 13 175.497 . . . . . . . A 71 PHE C . 36086 1 880 . 1 1 76 76 PHE CA C 13 59.263 . . . . . . . A 71 PHE CA . 36086 1 881 . 1 1 76 76 PHE CB C 13 39.338 . . . . . . . A 71 PHE CB . 36086 1 882 . 1 1 76 76 PHE CD1 C 13 131.505 . . . . . . . A 71 PHE CD1 . 36086 1 883 . 1 1 76 76 PHE CE1 C 13 131.279 . . . . . . . A 71 PHE CE1 . 36086 1 884 . 1 1 76 76 PHE CZ C 13 128.545 . . . . . . . A 71 PHE CZ . 36086 1 885 . 1 1 76 76 PHE N N 15 115.416 . . . . . . . A 71 PHE N . 36086 1 886 . 1 1 77 77 LYS H H 1 7.286 . . . . . . . A 72 LYS H . 36086 1 887 . 1 1 77 77 LYS HA H 1 4.339 . . . . . . . A 72 LYS HA . 36086 1 888 . 1 1 77 77 LYS HB2 H 1 1.611 . . . . . . . A 72 LYS HB2 . 36086 1 889 . 1 1 77 77 LYS HB3 H 1 1.737 . . . . . . . A 72 LYS HB3 . 36086 1 890 . 1 1 77 77 LYS HG2 H 1 1.413 . . . . . . . A 72 LYS HG2 . 36086 1 891 . 1 1 77 77 LYS HG3 H 1 1.413 . . . . . . . A 72 LYS HG3 . 36086 1 892 . 1 1 77 77 LYS HD2 H 1 1.705 . . . . . . . A 72 LYS HD2 . 36086 1 893 . 1 1 77 77 LYS HD3 H 1 1.705 . . . . . . . A 72 LYS HD3 . 36086 1 894 . 1 1 77 77 LYS HE2 H 1 2.965 . . . . . . . A 72 LYS HE2 . 36086 1 895 . 1 1 77 77 LYS HE3 H 1 2.965 . . . . . . . A 72 LYS HE3 . 36086 1 896 . 1 1 77 77 LYS C C 13 174.484 . . . . . . . A 72 LYS C . 36086 1 897 . 1 1 77 77 LYS CA C 13 56.418 . . . . . . . A 72 LYS CA . 36086 1 898 . 1 1 77 77 LYS CB C 13 36.256 . . . . . . . A 72 LYS CB . 36086 1 899 . 1 1 77 77 LYS CG C 13 24.956 . . . . . . . A 72 LYS CG . 36086 1 900 . 1 1 77 77 LYS CD C 13 29.385 . . . . . . . A 72 LYS CD . 36086 1 901 . 1 1 77 77 LYS CE C 13 42.330 . . . . . . . A 72 LYS CE . 36086 1 902 . 1 1 77 77 LYS N N 15 118.023 . . . . . . . A 72 LYS N . 36086 1 903 . 1 1 78 78 ALA H H 1 8.700 . . . . . . . A 73 ALA H . 36086 1 904 . 1 1 78 78 ALA HA H 1 4.302 . . . . . . . A 73 ALA HA . 36086 1 905 . 1 1 78 78 ALA HB1 H 1 1.413 . . . . . . . A 73 ALA HB1 . 36086 1 906 . 1 1 78 78 ALA HB2 H 1 1.413 . . . . . . . A 73 ALA HB2 . 36086 1 907 . 1 1 78 78 ALA HB3 H 1 1.413 . . . . . . . A 73 ALA HB3 . 36086 1 908 . 1 1 78 78 ALA C C 13 179.114 . . . . . . . A 73 ALA C . 36086 1 909 . 1 1 78 78 ALA CA C 13 54.078 . . . . . . . A 73 ALA CA . 36086 1 910 . 1 1 78 78 ALA CB C 13 18.033 . . . . . . . A 73 ALA CB . 36086 1 911 . 1 1 78 78 ALA N N 15 129.570 . . . . . . . A 73 ALA N . 36086 1 912 . 1 1 79 79 GLY H H 1 8.893 . . . . . . . A 74 GLY H . 36086 1 913 . 1 1 79 79 GLY HA2 H 1 3.996 . . . . . . . A 74 GLY HA2 . 36086 1 914 . 1 1 79 79 GLY HA3 H 1 3.851 . . . . . . . A 74 GLY HA3 . 36086 1 915 . 1 1 79 79 GLY C C 13 174.519 . . . . . . . A 74 GLY C . 36086 1 916 . 1 1 79 79 GLY CA C 13 45.136 . . . . . . . A 74 GLY CA . 36086 1 917 . 1 1 79 79 GLY N N 15 108.803 . . . . . . . A 74 GLY N . 36086 1 918 . 1 1 80 80 ALA H H 1 7.496 . . . . . . . A 75 ALA H . 36086 1 919 . 1 1 80 80 ALA HA H 1 4.258 . . . . . . . A 75 ALA HA . 36086 1 920 . 1 1 80 80 ALA HB1 H 1 1.349 . . . . . . . A 75 ALA HB1 . 36086 1 921 . 1 1 80 80 ALA HB2 H 1 1.349 . . . . . . . A 75 ALA HB2 . 36086 1 922 . 1 1 80 80 ALA HB3 H 1 1.349 . . . . . . . A 75 ALA HB3 . 36086 1 923 . 1 1 80 80 ALA C C 13 176.280 . . . . . . . A 75 ALA C . 36086 1 924 . 1 1 80 80 ALA CA C 13 52.069 . . . . . . . A 75 ALA CA . 36086 1 925 . 1 1 80 80 ALA CB C 13 20.571 . . . . . . . A 75 ALA CB . 36086 1 926 . 1 1 80 80 ALA N N 15 121.912 . . . . . . . A 75 ALA N . 36086 1 927 . 1 1 81 81 ARG H H 1 8.349 . . . . . . . A 76 ARG H . 36086 1 928 . 1 1 81 81 ARG HA H 1 4.327 . . . . . . . A 76 ARG HA . 36086 1 929 . 1 1 81 81 ARG HB2 H 1 1.849 . . . . . . . A 76 ARG HB2 . 36086 1 930 . 1 1 81 81 ARG HB3 H 1 1.999 . . . . . . . A 76 ARG HB3 . 36086 1 931 . 1 1 81 81 ARG HG2 H 1 1.275 . . . . . . . A 76 ARG HG2 . 36086 1 932 . 1 1 81 81 ARG HG3 H 1 1.542 . . . . . . . A 76 ARG HG3 . 36086 1 933 . 1 1 81 81 ARG HD2 H 1 3.089 . . . . . . . A 76 ARG HD2 . 36086 1 934 . 1 1 81 81 ARG HD3 H 1 3.296 . . . . . . . A 76 ARG HD3 . 36086 1 935 . 1 1 81 81 ARG HE H 1 6.870 . . . . . . . A 76 ARG HE . 36086 1 936 . 1 1 81 81 ARG HH11 H 1 6.194 . . . . . . . A 76 ARG HH11 . 36086 1 937 . 1 1 81 81 ARG C C 13 175.538 . . . . . . . A 76 ARG C . 36086 1 938 . 1 1 81 81 ARG CA C 13 55.487 . . . . . . . A 76 ARG CA . 36086 1 939 . 1 1 81 81 ARG CB C 13 30.277 . . . . . . . A 76 ARG CB . 36086 1 940 . 1 1 81 81 ARG CG C 13 27.308 . . . . . . . A 76 ARG CG . 36086 1 941 . 1 1 81 81 ARG CD C 13 43.709 . . . . . . . A 76 ARG CD . 36086 1 942 . 1 1 81 81 ARG CZ C 13 160.774 . . . . . . . A 76 ARG CZ . 36086 1 943 . 1 1 81 81 ARG N N 15 118.431 . . . . . . . A 76 ARG N . 36086 1 944 . 1 1 81 81 ARG NE N 15 89.916 . . . . . . . A 76 ARG NE . 36086 1 945 . 1 1 82 82 ALA H H 1 8.294 . . . . . . . A 77 ALA H . 36086 1 946 . 1 1 82 82 ALA HA H 1 4.377 . . . . . . . A 77 ALA HA . 36086 1 947 . 1 1 82 82 ALA HB1 H 1 1.320 . . . . . . . A 77 ALA HB1 . 36086 1 948 . 1 1 82 82 ALA HB2 H 1 1.320 . . . . . . . A 77 ALA HB2 . 36086 1 949 . 1 1 82 82 ALA HB3 H 1 1.320 . . . . . . . A 77 ALA HB3 . 36086 1 950 . 1 1 82 82 ALA C C 13 178.929 . . . . . . . A 77 ALA C . 36086 1 951 . 1 1 82 82 ALA CA C 13 51.582 . . . . . . . A 77 ALA CA . 36086 1 952 . 1 1 82 82 ALA CB C 13 19.110 . . . . . . . A 77 ALA CB . 36086 1 953 . 1 1 82 82 ALA N N 15 120.879 . . . . . . . A 77 ALA N . 36086 1 954 . 1 1 83 83 LEU H H 1 8.770 . . . . . . . A 78 LEU H . 36086 1 955 . 1 1 83 83 LEU HA H 1 4.397 . . . . . . . A 78 LEU HA . 36086 1 956 . 1 1 83 83 LEU HB2 H 1 1.504 . . . . . . . A 78 LEU HB2 . 36086 1 957 . 1 1 83 83 LEU HB3 H 1 1.997 . . . . . . . A 78 LEU HB3 . 36086 1 958 . 1 1 83 83 LEU HG H 1 1.765 . . . . . . . A 78 LEU HG . 36086 1 959 . 1 1 83 83 LEU HD11 H 1 0.284 . . . . . . . A 78 LEU HD11 . 36086 1 960 . 1 1 83 83 LEU HD12 H 1 0.284 . . . . . . . A 78 LEU HD12 . 36086 1 961 . 1 1 83 83 LEU HD13 H 1 0.284 . . . . . . . A 78 LEU HD13 . 36086 1 962 . 1 1 83 83 LEU HD21 H 1 0.439 . . . . . . . A 78 LEU HD21 . 36086 1 963 . 1 1 83 83 LEU HD22 H 1 0.439 . . . . . . . A 78 LEU HD22 . 36086 1 964 . 1 1 83 83 LEU HD23 H 1 0.439 . . . . . . . A 78 LEU HD23 . 36086 1 965 . 1 1 83 83 LEU C C 13 177.982 . . . . . . . A 78 LEU C . 36086 1 966 . 1 1 83 83 LEU CA C 13 54.833 . . . . . . . A 78 LEU CA . 36086 1 967 . 1 1 83 83 LEU CB C 13 41.894 . . . . . . . A 78 LEU CB . 36086 1 968 . 1 1 83 83 LEU CG C 13 27.220 . . . . . . . A 78 LEU CG . 36086 1 969 . 1 1 83 83 LEU CD1 C 13 22.307 . . . . . . . A 78 LEU CD1 . 36086 1 970 . 1 1 83 83 LEU CD2 C 13 25.665 . . . . . . . A 78 LEU CD2 . 36086 1 971 . 1 1 83 83 LEU N N 15 122.436 . . . . . . . A 78 LEU N . 36086 1 972 . 1 1 84 84 SER H H 1 9.895 . . . . . . . A 79 SER H . 36086 1 973 . 1 1 84 84 SER HA H 1 4.557 . . . . . . . A 79 SER HA . 36086 1 974 . 1 1 84 84 SER HB2 H 1 4.123 . . . . . . . A 79 SER HB2 . 36086 1 975 . 1 1 84 84 SER HB3 H 1 4.511 . . . . . . . A 79 SER HB3 . 36086 1 976 . 1 1 84 84 SER HG H 1 6.284 . . . . . . . A 79 SER HG . 36086 1 977 . 1 1 84 84 SER CA C 13 57.266 . . . . . . . A 79 SER CA . 36086 1 978 . 1 1 84 84 SER CB C 13 65.793 . . . . . . . A 79 SER CB . 36086 1 979 . 1 1 84 84 SER N N 15 118.010 . . . . . . . A 79 SER N . 36086 1 980 . 1 1 85 85 ASP HA H 1 4.485 . . . . . . . A 80 ASP HA . 36086 1 981 . 1 1 85 85 ASP HB2 H 1 2.729 . . . . . . . A 80 ASP HB2 . 36086 1 982 . 1 1 85 85 ASP HB3 H 1 2.729 . . . . . . . A 80 ASP HB3 . 36086 1 983 . 1 1 85 85 ASP C C 13 177.960 . . . . . . . A 80 ASP C . 36086 1 984 . 1 1 85 85 ASP CA C 13 58.450 . . . . . . . A 80 ASP CA . 36086 1 985 . 1 1 85 85 ASP CB C 13 40.358 . . . . . . . A 80 ASP CB . 36086 1 986 . 1 1 86 86 ALA H H 1 8.514 . . . . . . . A 81 ALA H . 36086 1 987 . 1 1 86 86 ALA HA H 1 4.177 . . . . . . . A 81 ALA HA . 36086 1 988 . 1 1 86 86 ALA HB1 H 1 1.503 . . . . . . . A 81 ALA HB1 . 36086 1 989 . 1 1 86 86 ALA HB2 H 1 1.503 . . . . . . . A 81 ALA HB2 . 36086 1 990 . 1 1 86 86 ALA HB3 H 1 1.503 . . . . . . . A 81 ALA HB3 . 36086 1 991 . 1 1 86 86 ALA C C 13 181.771 . . . . . . . A 81 ALA C . 36086 1 992 . 1 1 86 86 ALA CA C 13 55.492 . . . . . . . A 81 ALA CA . 36086 1 993 . 1 1 86 86 ALA CB C 13 18.354 . . . . . . . A 81 ALA CB . 36086 1 994 . 1 1 86 86 ALA N N 15 120.974 . . . . . . . A 81 ALA N . 36086 1 995 . 1 1 87 87 GLU H H 1 8.147 . . . . . . . A 82 GLU H . 36086 1 996 . 1 1 87 87 GLU HA H 1 4.219 . . . . . . . A 82 GLU HA . 36086 1 997 . 1 1 87 87 GLU HB2 H 1 1.998 . . . . . . . A 82 GLU HB2 . 36086 1 998 . 1 1 87 87 GLU HB3 H 1 2.629 . . . . . . . A 82 GLU HB3 . 36086 1 999 . 1 1 87 87 GLU HG2 H 1 2.525 . . . . . . . A 82 GLU HG2 . 36086 1 1000 . 1 1 87 87 GLU HG3 H 1 2.615 . . . . . . . A 82 GLU HG3 . 36086 1 1001 . 1 1 87 87 GLU C C 13 179.964 . . . . . . . A 82 GLU C . 36086 1 1002 . 1 1 87 87 GLU CA C 13 58.917 . . . . . . . A 82 GLU CA . 36086 1 1003 . 1 1 87 87 GLU CB C 13 32.206 . . . . . . . A 82 GLU CB . 36086 1 1004 . 1 1 87 87 GLU CG C 13 37.901 . . . . . . . A 82 GLU CG . 36086 1 1005 . 1 1 87 87 GLU N N 15 118.975 . . . . . . . A 82 GLU N . 36086 1 1006 . 1 1 88 88 THR H H 1 8.835 . . . . . . . A 83 THR H . 36086 1 1007 . 1 1 88 88 THR HA H 1 3.668 . . . . . . . A 83 THR HA . 36086 1 1008 . 1 1 88 88 THR HB H 1 4.377 . . . . . . . A 83 THR HB . 36086 1 1009 . 1 1 88 88 THR HG21 H 1 1.173 . . . . . . . A 83 THR HG21 . 36086 1 1010 . 1 1 88 88 THR HG22 H 1 1.173 . . . . . . . A 83 THR HG22 . 36086 1 1011 . 1 1 88 88 THR HG23 H 1 1.173 . . . . . . . A 83 THR HG23 . 36086 1 1012 . 1 1 88 88 THR C C 13 176.251 . . . . . . . A 83 THR C . 36086 1 1013 . 1 1 88 88 THR CA C 13 68.290 . . . . . . . A 83 THR CA . 36086 1 1014 . 1 1 88 88 THR CB C 13 68.143 . . . . . . . A 83 THR CB . 36086 1 1015 . 1 1 88 88 THR CG2 C 13 22.609 . . . . . . . A 83 THR CG2 . 36086 1 1016 . 1 1 88 88 THR N N 15 117.883 . . . . . . . A 83 THR N . 36086 1 1017 . 1 1 89 89 LYS H H 1 8.488 . . . . . . . A 84 LYS H . 36086 1 1018 . 1 1 89 89 LYS HA H 1 3.945 . . . . . . . A 84 LYS HA . 36086 1 1019 . 1 1 89 89 LYS HB2 H 1 1.865 . . . . . . . A 84 LYS HB2 . 36086 1 1020 . 1 1 89 89 LYS HB3 H 1 1.977 . . . . . . . A 84 LYS HB3 . 36086 1 1021 . 1 1 89 89 LYS HG2 H 1 1.587 . . . . . . . A 84 LYS HG2 . 36086 1 1022 . 1 1 89 89 LYS HG3 H 1 1.587 . . . . . . . A 84 LYS HG3 . 36086 1 1023 . 1 1 89 89 LYS HD2 H 1 1.622 . . . . . . . A 84 LYS HD2 . 36086 1 1024 . 1 1 89 89 LYS HD3 H 1 1.665 . . . . . . . A 84 LYS HD3 . 36086 1 1025 . 1 1 89 89 LYS HE2 H 1 2.996 . . . . . . . A 84 LYS HE2 . 36086 1 1026 . 1 1 89 89 LYS HE3 H 1 2.996 . . . . . . . A 84 LYS HE3 . 36086 1 1027 . 1 1 89 89 LYS C C 13 179.241 . . . . . . . A 84 LYS C . 36086 1 1028 . 1 1 89 89 LYS CA C 13 59.447 . . . . . . . A 84 LYS CA . 36086 1 1029 . 1 1 89 89 LYS CB C 13 32.383 . . . . . . . A 84 LYS CB . 36086 1 1030 . 1 1 89 89 LYS CG C 13 25.656 . . . . . . . A 84 LYS CG . 36086 1 1031 . 1 1 89 89 LYS CD C 13 28.576 . . . . . . . A 84 LYS CD . 36086 1 1032 . 1 1 89 89 LYS CE C 13 42.300 . . . . . . . A 84 LYS CE . 36086 1 1033 . 1 1 89 89 LYS N N 15 120.766 . . . . . . . A 84 LYS N . 36086 1 1034 . 1 1 90 90 ALA H H 1 7.825 . . . . . . . A 85 ALA H . 36086 1 1035 . 1 1 90 90 ALA HA H 1 4.220 . . . . . . . A 85 ALA HA . 36086 1 1036 . 1 1 90 90 ALA HB1 H 1 1.622 . . . . . . . A 85 ALA HB1 . 36086 1 1037 . 1 1 90 90 ALA HB2 H 1 1.622 . . . . . . . A 85 ALA HB2 . 36086 1 1038 . 1 1 90 90 ALA HB3 H 1 1.622 . . . . . . . A 85 ALA HB3 . 36086 1 1039 . 1 1 90 90 ALA C C 13 179.975 . . . . . . . A 85 ALA C . 36086 1 1040 . 1 1 90 90 ALA CA C 13 55.156 . . . . . . . A 85 ALA CA . 36086 1 1041 . 1 1 90 90 ALA CB C 13 18.140 . . . . . . . A 85 ALA CB . 36086 1 1042 . 1 1 90 90 ALA N N 15 121.031 . . . . . . . A 85 ALA N . 36086 1 1043 . 1 1 91 91 PHE H H 1 7.929 . . . . . . . A 86 PHE H . 36086 1 1044 . 1 1 91 91 PHE HA H 1 4.377 . . . . . . . A 86 PHE HA . 36086 1 1045 . 1 1 91 91 PHE HB2 H 1 3.410 . . . . . . . A 86 PHE HB2 . 36086 1 1046 . 1 1 91 91 PHE HB3 H 1 3.610 . . . . . . . A 86 PHE HB3 . 36086 1 1047 . 1 1 91 91 PHE HD1 H 1 6.893 . . . . . . . A 86 PHE HD1 . 36086 1 1048 . 1 1 91 91 PHE HD2 H 1 6.893 . . . . . . . A 86 PHE HD2 . 36086 1 1049 . 1 1 91 91 PHE HE1 H 1 6.591 . . . . . . . A 86 PHE HE1 . 36086 1 1050 . 1 1 91 91 PHE HE2 H 1 6.591 . . . . . . . A 86 PHE HE2 . 36086 1 1051 . 1 1 91 91 PHE HZ H 1 6.285 . . . . . . . A 86 PHE HZ . 36086 1 1052 . 1 1 91 91 PHE C C 13 177.153 . . . . . . . A 86 PHE C . 36086 1 1053 . 1 1 91 91 PHE CA C 13 57.377 . . . . . . . A 86 PHE CA . 36086 1 1054 . 1 1 91 91 PHE CB C 13 39.071 . . . . . . . A 86 PHE CB . 36086 1 1055 . 1 1 91 91 PHE CD1 C 13 130.162 . . . . . . . A 86 PHE CD1 . 36086 1 1056 . 1 1 91 91 PHE CE1 C 13 131.200 . . . . . . . A 86 PHE CE1 . 36086 1 1057 . 1 1 91 91 PHE CZ C 13 127.626 . . . . . . . A 86 PHE CZ . 36086 1 1058 . 1 1 91 91 PHE N N 15 122.618 . . . . . . . A 86 PHE N . 36086 1 1059 . 1 1 92 92 LEU H H 1 8.402 . . . . . . . A 87 LEU H . 36086 1 1060 . 1 1 92 92 LEU HA H 1 3.717 . . . . . . . A 87 LEU HA . 36086 1 1061 . 1 1 92 92 LEU HB2 H 1 1.412 . . . . . . . A 87 LEU HB2 . 36086 1 1062 . 1 1 92 92 LEU HB3 H 1 1.874 . . . . . . . A 87 LEU HB3 . 36086 1 1063 . 1 1 92 92 LEU HG H 1 1.541 . . . . . . . A 87 LEU HG . 36086 1 1064 . 1 1 92 92 LEU HD11 H 1 0.667 . . . . . . . A 87 LEU HD11 . 36086 1 1065 . 1 1 92 92 LEU HD12 H 1 0.667 . . . . . . . A 87 LEU HD12 . 36086 1 1066 . 1 1 92 92 LEU HD13 H 1 0.667 . . . . . . . A 87 LEU HD13 . 36086 1 1067 . 1 1 92 92 LEU HD21 H 1 0.808 . . . . . . . A 87 LEU HD21 . 36086 1 1068 . 1 1 92 92 LEU HD22 H 1 0.808 . . . . . . . A 87 LEU HD22 . 36086 1 1069 . 1 1 92 92 LEU HD23 H 1 0.808 . . . . . . . A 87 LEU HD23 . 36086 1 1070 . 1 1 92 92 LEU C C 13 178.424 . . . . . . . A 87 LEU C . 36086 1 1071 . 1 1 92 92 LEU CA C 13 58.293 . . . . . . . A 87 LEU CA . 36086 1 1072 . 1 1 92 92 LEU CB C 13 42.160 . . . . . . . A 87 LEU CB . 36086 1 1073 . 1 1 92 92 LEU CG C 13 26.940 . . . . . . . A 87 LEU CG . 36086 1 1074 . 1 1 92 92 LEU CD1 C 13 23.175 . . . . . . . A 87 LEU CD1 . 36086 1 1075 . 1 1 92 92 LEU CD2 C 13 25.642 . . . . . . . A 87 LEU CD2 . 36086 1 1076 . 1 1 92 92 LEU N N 15 118.560 . . . . . . . A 87 LEU N . 36086 1 1077 . 1 1 93 93 LYS H H 1 8.351 . . . . . . . A 88 LYS H . 36086 1 1078 . 1 1 93 93 LYS HA H 1 4.018 . . . . . . . A 88 LYS HA . 36086 1 1079 . 1 1 93 93 LYS HB2 H 1 1.883 . . . . . . . A 88 LYS HB2 . 36086 1 1080 . 1 1 93 93 LYS HB3 H 1 1.980 . . . . . . . A 88 LYS HB3 . 36086 1 1081 . 1 1 93 93 LYS HG2 H 1 1.504 . . . . . . . A 88 LYS HG2 . 36086 1 1082 . 1 1 93 93 LYS HG3 H 1 1.560 . . . . . . . A 88 LYS HG3 . 36086 1 1083 . 1 1 93 93 LYS HD2 H 1 1.717 . . . . . . . A 88 LYS HD2 . 36086 1 1084 . 1 1 93 93 LYS HD3 H 1 1.717 . . . . . . . A 88 LYS HD3 . 36086 1 1085 . 1 1 93 93 LYS HE2 H 1 3.009 . . . . . . . A 88 LYS HE2 . 36086 1 1086 . 1 1 93 93 LYS HE3 H 1 3.009 . . . . . . . A 88 LYS HE3 . 36086 1 1087 . 1 1 93 93 LYS C C 13 178.807 . . . . . . . A 88 LYS C . 36086 1 1088 . 1 1 93 93 LYS CA C 13 58.720 . . . . . . . A 88 LYS CA . 36086 1 1089 . 1 1 93 93 LYS CB C 13 32.336 . . . . . . . A 88 LYS CB . 36086 1 1090 . 1 1 93 93 LYS CG C 13 25.052 . . . . . . . A 88 LYS CG . 36086 1 1091 . 1 1 93 93 LYS CD C 13 29.168 . . . . . . . A 88 LYS CD . 36086 1 1092 . 1 1 93 93 LYS CE C 13 42.231 . . . . . . . A 88 LYS CE . 36086 1 1093 . 1 1 93 93 LYS N N 15 116.886 . . . . . . . A 88 LYS N . 36086 1 1094 . 1 1 94 94 ALA H H 1 7.592 . . . . . . . A 89 ALA H . 36086 1 1095 . 1 1 94 94 ALA HA H 1 4.209 . . . . . . . A 89 ALA HA . 36086 1 1096 . 1 1 94 94 ALA HB1 H 1 1.521 . . . . . . . A 89 ALA HB1 . 36086 1 1097 . 1 1 94 94 ALA HB2 H 1 1.521 . . . . . . . A 89 ALA HB2 . 36086 1 1098 . 1 1 94 94 ALA HB3 H 1 1.521 . . . . . . . A 89 ALA HB3 . 36086 1 1099 . 1 1 94 94 ALA C C 13 179.450 . . . . . . . A 89 ALA C . 36086 1 1100 . 1 1 94 94 ALA CA C 13 54.107 . . . . . . . A 89 ALA CA . 36086 1 1101 . 1 1 94 94 ALA CB C 13 19.147 . . . . . . . A 89 ALA CB . 36086 1 1102 . 1 1 94 94 ALA N N 15 118.001 . . . . . . . A 89 ALA N . 36086 1 1103 . 1 1 95 95 GLY H H 1 7.664 . . . . . . . A 90 GLY H . 36086 1 1104 . 1 1 95 95 GLY HA2 H 1 4.427 . . . . . . . A 90 GLY HA2 . 36086 1 1105 . 1 1 95 95 GLY HA3 H 1 3.726 . . . . . . . A 90 GLY HA3 . 36086 1 1106 . 1 1 95 95 GLY C C 13 174.702 . . . . . . . A 90 GLY C . 36086 1 1107 . 1 1 95 95 GLY CA C 13 46.293 . . . . . . . A 90 GLY CA . 36086 1 1108 . 1 1 95 95 GLY N N 15 102.260 . . . . . . . A 90 GLY N . 36086 1 1109 . 1 1 96 96 ASP H H 1 8.406 . . . . . . . A 91 ASP H . 36086 1 1110 . 1 1 96 96 ASP HA H 1 4.840 . . . . . . . A 91 ASP HA . 36086 1 1111 . 1 1 96 96 ASP HB2 H 1 2.283 . . . . . . . A 91 ASP HB2 . 36086 1 1112 . 1 1 96 96 ASP HB3 H 1 2.835 . . . . . . . A 91 ASP HB3 . 36086 1 1113 . 1 1 96 96 ASP C C 13 176.457 . . . . . . . A 91 ASP C . 36086 1 1114 . 1 1 96 96 ASP CA C 13 53.604 . . . . . . . A 91 ASP CA . 36086 1 1115 . 1 1 96 96 ASP CB C 13 39.603 . . . . . . . A 91 ASP CB . 36086 1 1116 . 1 1 96 96 ASP N N 15 120.225 . . . . . . . A 91 ASP N . 36086 1 1117 . 1 1 97 97 SER H H 1 8.594 . . . . . . . A 92 SER H . 36086 1 1118 . 1 1 97 97 SER HA H 1 4.337 . . . . . . . A 92 SER HA . 36086 1 1119 . 1 1 97 97 SER HB2 H 1 3.962 . . . . . . . A 92 SER HB2 . 36086 1 1120 . 1 1 97 97 SER HB3 H 1 4.030 . . . . . . . A 92 SER HB3 . 36086 1 1121 . 1 1 97 97 SER C C 13 176.460 . . . . . . . A 92 SER C . 36086 1 1122 . 1 1 97 97 SER CA C 13 60.191 . . . . . . . A 92 SER CA . 36086 1 1123 . 1 1 97 97 SER CB C 13 63.462 . . . . . . . A 92 SER CB . 36086 1 1124 . 1 1 97 97 SER N N 15 123.535 . . . . . . . A 92 SER N . 36086 1 1125 . 1 1 98 98 ASP H H 1 8.677 . . . . . . . A 93 ASP H . 36086 1 1126 . 1 1 98 98 ASP HA H 1 4.705 . . . . . . . A 93 ASP HA . 36086 1 1127 . 1 1 98 98 ASP HB2 H 1 2.656 . . . . . . . A 93 ASP HB2 . 36086 1 1128 . 1 1 98 98 ASP HB3 H 1 3.101 . . . . . . . A 93 ASP HB3 . 36086 1 1129 . 1 1 98 98 ASP C C 13 178.297 . . . . . . . A 93 ASP C . 36086 1 1130 . 1 1 98 98 ASP CA C 13 53.456 . . . . . . . A 93 ASP CA . 36086 1 1131 . 1 1 98 98 ASP CB C 13 39.994 . . . . . . . A 93 ASP CB . 36086 1 1132 . 1 1 98 98 ASP N N 15 118.908 . . . . . . . A 93 ASP N . 36086 1 1133 . 1 1 99 99 GLY H H 1 7.586 . . . . . . . A 94 GLY H . 36086 1 1134 . 1 1 99 99 GLY HA2 H 1 3.961 . . . . . . . A 94 GLY HA2 . 36086 1 1135 . 1 1 99 99 GLY HA3 H 1 3.850 . . . . . . . A 94 GLY HA3 . 36086 1 1136 . 1 1 99 99 GLY C C 13 175.127 . . . . . . . A 94 GLY C . 36086 1 1137 . 1 1 99 99 GLY CA C 13 47.579 . . . . . . . A 94 GLY CA . 36086 1 1138 . 1 1 99 99 GLY N N 15 108.790 . . . . . . . A 94 GLY N . 36086 1 1139 . 1 1 100 100 ASP H H 1 8.461 . . . . . . . A 95 ASP H . 36086 1 1140 . 1 1 100 100 ASP HA H 1 4.496 . . . . . . . A 95 ASP HA . 36086 1 1141 . 1 1 100 100 ASP HB2 H 1 2.465 . . . . . . . A 95 ASP HB2 . 36086 1 1142 . 1 1 100 100 ASP HB3 H 1 2.895 . . . . . . . A 95 ASP HB3 . 36086 1 1143 . 1 1 100 100 ASP C C 13 177.636 . . . . . . . A 95 ASP C . 36086 1 1144 . 1 1 100 100 ASP CA C 13 53.584 . . . . . . . A 95 ASP CA . 36086 1 1145 . 1 1 100 100 ASP CB C 13 40.338 . . . . . . . A 95 ASP CB . 36086 1 1146 . 1 1 100 100 ASP N N 15 121.095 . . . . . . . A 95 ASP N . 36086 1 1147 . 1 1 101 101 GLY H H 1 10.309 . . . . . . . A 96 GLY H . 36086 1 1148 . 1 1 101 101 GLY HA2 H 1 4.064 . . . . . . . A 96 GLY HA2 . 36086 1 1149 . 1 1 101 101 GLY HA3 H 1 3.463 . . . . . . . A 96 GLY HA3 . 36086 1 1150 . 1 1 101 101 GLY C C 13 172.581 . . . . . . . A 96 GLY C . 36086 1 1151 . 1 1 101 101 GLY CA C 13 45.993 . . . . . . . A 96 GLY CA . 36086 1 1152 . 1 1 101 101 GLY N N 15 112.446 . . . . . . . A 96 GLY N . 36086 1 1153 . 1 1 102 102 LYS H H 1 7.940 . . . . . . . A 97 LYS H . 36086 1 1154 . 1 1 102 102 LYS HA H 1 4.717 . . . . . . . A 97 LYS HA . 36086 1 1155 . 1 1 102 102 LYS HB2 H 1 1.538 . . . . . . . A 97 LYS HB2 . 36086 1 1156 . 1 1 102 102 LYS HB3 H 1 1.679 . . . . . . . A 97 LYS HB3 . 36086 1 1157 . 1 1 102 102 LYS HG2 H 1 0.843 . . . . . . . A 97 LYS HG2 . 36086 1 1158 . 1 1 102 102 LYS HG3 H 1 1.038 . . . . . . . A 97 LYS HG3 . 36086 1 1159 . 1 1 102 102 LYS HD2 H 1 0.848 . . . . . . . A 97 LYS HD2 . 36086 1 1160 . 1 1 102 102 LYS HD3 H 1 1.186 . . . . . . . A 97 LYS HD3 . 36086 1 1161 . 1 1 102 102 LYS HE2 H 1 1.575 . . . . . . . A 97 LYS HE2 . 36086 1 1162 . 1 1 102 102 LYS HE3 H 1 2.046 . . . . . . . A 97 LYS HE3 . 36086 1 1163 . 1 1 102 102 LYS C C 13 174.585 . . . . . . . A 97 LYS C . 36086 1 1164 . 1 1 102 102 LYS CA C 13 54.077 . . . . . . . A 97 LYS CA . 36086 1 1165 . 1 1 102 102 LYS CB C 13 36.296 . . . . . . . A 97 LYS CB . 36086 1 1166 . 1 1 102 102 LYS CG C 13 23.132 . . . . . . . A 97 LYS CG . 36086 1 1167 . 1 1 102 102 LYS CD C 13 29.666 . . . . . . . A 97 LYS CD . 36086 1 1168 . 1 1 102 102 LYS CE C 13 41.598 . . . . . . . A 97 LYS CE . 36086 1 1169 . 1 1 102 102 LYS N N 15 116.434 . . . . . . . A 97 LYS N . 36086 1 1170 . 1 1 103 103 ILE H H 1 8.922 . . . . . . . A 98 ILE H . 36086 1 1171 . 1 1 103 103 ILE HA H 1 5.229 . . . . . . . A 98 ILE HA . 36086 1 1172 . 1 1 103 103 ILE HB H 1 2.096 . . . . . . . A 98 ILE HB . 36086 1 1173 . 1 1 103 103 ILE HG12 H 1 1.010 . . . . . . . A 98 ILE HG12 . 36086 1 1174 . 1 1 103 103 ILE HG13 H 1 1.361 . . . . . . . A 98 ILE HG13 . 36086 1 1175 . 1 1 103 103 ILE HG21 H 1 1.256 . . . . . . . A 98 ILE HG21 . 36086 1 1176 . 1 1 103 103 ILE HG22 H 1 1.256 . . . . . . . A 98 ILE HG22 . 36086 1 1177 . 1 1 103 103 ILE HG23 H 1 1.256 . . . . . . . A 98 ILE HG23 . 36086 1 1178 . 1 1 103 103 ILE HD11 H 1 0.794 . . . . . . . A 98 ILE HD11 . 36086 1 1179 . 1 1 103 103 ILE HD12 H 1 0.794 . . . . . . . A 98 ILE HD12 . 36086 1 1180 . 1 1 103 103 ILE HD13 H 1 0.794 . . . . . . . A 98 ILE HD13 . 36086 1 1181 . 1 1 103 103 ILE C C 13 176.401 . . . . . . . A 98 ILE C . 36086 1 1182 . 1 1 103 103 ILE CA C 13 59.397 . . . . . . . A 98 ILE CA . 36086 1 1183 . 1 1 103 103 ILE CB C 13 39.192 . . . . . . . A 98 ILE CB . 36086 1 1184 . 1 1 103 103 ILE CG1 C 13 27.557 . . . . . . . A 98 ILE CG1 . 36086 1 1185 . 1 1 103 103 ILE CG2 C 13 18.058 . . . . . . . A 98 ILE CG2 . 36086 1 1186 . 1 1 103 103 ILE CD1 C 13 12.508 . . . . . . . A 98 ILE CD1 . 36086 1 1187 . 1 1 103 103 ILE N N 15 123.263 . . . . . . . A 98 ILE N . 36086 1 1188 . 1 1 104 104 GLY H H 1 9.760 . . . . . . . A 99 GLY H . 36086 1 1189 . 1 1 104 104 GLY HA2 H 1 4.858 . . . . . . . A 99 GLY HA2 . 36086 1 1190 . 1 1 104 104 GLY HA3 H 1 4.141 . . . . . . . A 99 GLY HA3 . 36086 1 1191 . 1 1 104 104 GLY C C 13 174.898 . . . . . . . A 99 GLY C . 36086 1 1192 . 1 1 104 104 GLY CA C 13 44.299 . . . . . . . A 99 GLY CA . 36086 1 1193 . 1 1 104 104 GLY N N 15 117.371 . . . . . . . A 99 GLY N . 36086 1 1194 . 1 1 105 105 ILE H H 1 8.487 . . . . . . . A 100 ILE H . 36086 1 1195 . 1 1 105 105 ILE HA H 1 3.121 . . . . . . . A 100 ILE HA . 36086 1 1196 . 1 1 105 105 ILE HB H 1 0.693 . . . . . . . A 100 ILE HB . 36086 1 1197 . 1 1 105 105 ILE HG12 H 1 0.784 . . . . . . . A 100 ILE HG12 . 36086 1 1198 . 1 1 105 105 ILE HG13 H 1 0.852 . . . . . . . A 100 ILE HG13 . 36086 1 1199 . 1 1 105 105 ILE HG21 H 1 0.692 . . . . . . . A 100 ILE HG21 . 36086 1 1200 . 1 1 105 105 ILE HG22 H 1 0.692 . . . . . . . A 100 ILE HG22 . 36086 1 1201 . 1 1 105 105 ILE HG23 H 1 0.692 . . . . . . . A 100 ILE HG23 . 36086 1 1202 . 1 1 105 105 ILE HD11 H 1 0.630 . . . . . . . A 100 ILE HD11 . 36086 1 1203 . 1 1 105 105 ILE HD12 H 1 0.630 . . . . . . . A 100 ILE HD12 . 36086 1 1204 . 1 1 105 105 ILE HD13 H 1 0.630 . . . . . . . A 100 ILE HD13 . 36086 1 1205 . 1 1 105 105 ILE C C 13 176.249 . . . . . . . A 100 ILE C . 36086 1 1206 . 1 1 105 105 ILE CA C 13 64.381 . . . . . . . A 100 ILE CA . 36086 1 1207 . 1 1 105 105 ILE CB C 13 37.227 . . . . . . . A 100 ILE CB . 36086 1 1208 . 1 1 105 105 ILE CG1 C 13 29.046 . . . . . . . A 100 ILE CG1 . 36086 1 1209 . 1 1 105 105 ILE CG2 C 13 16.528 . . . . . . . A 100 ILE CG2 . 36086 1 1210 . 1 1 105 105 ILE CD1 C 13 14.455 . . . . . . . A 100 ILE CD1 . 36086 1 1211 . 1 1 105 105 ILE N N 15 120.771 . . . . . . . A 100 ILE N . 36086 1 1212 . 1 1 106 106 ASP H H 1 7.984 . . . . . . . A 101 ASP H . 36086 1 1213 . 1 1 106 106 ASP HA H 1 4.440 . . . . . . . A 101 ASP HA . 36086 1 1214 . 1 1 106 106 ASP HB2 H 1 2.622 . . . . . . . A 101 ASP HB2 . 36086 1 1215 . 1 1 106 106 ASP HB3 H 1 2.701 . . . . . . . A 101 ASP HB3 . 36086 1 1216 . 1 1 106 106 ASP C C 13 179.827 . . . . . . . A 101 ASP C . 36086 1 1217 . 1 1 106 106 ASP CA C 13 57.261 . . . . . . . A 101 ASP CA . 36086 1 1218 . 1 1 106 106 ASP CB C 13 39.675 . . . . . . . A 101 ASP CB . 36086 1 1219 . 1 1 106 106 ASP N N 15 121.649 . . . . . . . A 101 ASP N . 36086 1 1220 . 1 1 107 107 GLU H H 1 7.800 . . . . . . . A 102 GLU H . 36086 1 1221 . 1 1 107 107 GLU HA H 1 4.188 . . . . . . . A 102 GLU HA . 36086 1 1222 . 1 1 107 107 GLU HB2 H 1 2.564 . . . . . . . A 102 GLU HB2 . 36086 1 1223 . 1 1 107 107 GLU HB3 H 1 2.620 . . . . . . . A 102 GLU HB3 . 36086 1 1224 . 1 1 107 107 GLU HG2 H 1 2.605 . . . . . . . A 102 GLU HG2 . 36086 1 1225 . 1 1 107 107 GLU HG3 H 1 2.671 . . . . . . . A 102 GLU HG3 . 36086 1 1226 . 1 1 107 107 GLU C C 13 180.002 . . . . . . . A 102 GLU C . 36086 1 1227 . 1 1 107 107 GLU CA C 13 58.420 . . . . . . . A 102 GLU CA . 36086 1 1228 . 1 1 107 107 GLU CB C 13 30.292 . . . . . . . A 102 GLU CB . 36086 1 1229 . 1 1 107 107 GLU CG C 13 36.745 . . . . . . . A 102 GLU CG . 36086 1 1230 . 1 1 107 107 GLU N N 15 122.569 . . . . . . . A 102 GLU N . 36086 1 1231 . 1 1 108 108 PHE H H 1 9.089 . . . . . . . A 103 PHE H . 36086 1 1232 . 1 1 108 108 PHE HA H 1 4.175 . . . . . . . A 103 PHE HA . 36086 1 1233 . 1 1 108 108 PHE HB2 H 1 3.315 . . . . . . . A 103 PHE HB2 . 36086 1 1234 . 1 1 108 108 PHE HB3 H 1 3.315 . . . . . . . A 103 PHE HB3 . 36086 1 1235 . 1 1 108 108 PHE HD1 H 1 7.210 . . . . . . . A 103 PHE HD1 . 36086 1 1236 . 1 1 108 108 PHE HD2 H 1 7.210 . . . . . . . A 103 PHE HD2 . 36086 1 1237 . 1 1 108 108 PHE HE1 H 1 7.482 . . . . . . . A 103 PHE HE1 . 36086 1 1238 . 1 1 108 108 PHE HE2 H 1 7.482 . . . . . . . A 103 PHE HE2 . 36086 1 1239 . 1 1 108 108 PHE HZ H 1 7.185 . . . . . . . A 103 PHE HZ . 36086 1 1240 . 1 1 108 108 PHE C C 13 176.084 . . . . . . . A 103 PHE C . 36086 1 1241 . 1 1 108 108 PHE CA C 13 61.425 . . . . . . . A 103 PHE CA . 36086 1 1242 . 1 1 108 108 PHE CB C 13 40.379 . . . . . . . A 103 PHE CB . 36086 1 1243 . 1 1 108 108 PHE CD1 C 13 132.449 . . . . . . . A 103 PHE CD1 . 36086 1 1244 . 1 1 108 108 PHE CE1 C 13 131.015 . . . . . . . A 103 PHE CE1 . 36086 1 1245 . 1 1 108 108 PHE CZ C 13 129.080 . . . . . . . A 103 PHE CZ . 36086 1 1246 . 1 1 108 108 PHE N N 15 122.772 . . . . . . . A 103 PHE N . 36086 1 1247 . 1 1 109 109 ALA H H 1 8.461 . . . . . . . A 104 ALA H . 36086 1 1248 . 1 1 109 109 ALA HA H 1 3.785 . . . . . . . A 104 ALA HA . 36086 1 1249 . 1 1 109 109 ALA HB1 H 1 1.505 . . . . . . . A 104 ALA HB1 . 36086 1 1250 . 1 1 109 109 ALA HB2 H 1 1.505 . . . . . . . A 104 ALA HB2 . 36086 1 1251 . 1 1 109 109 ALA HB3 H 1 1.505 . . . . . . . A 104 ALA HB3 . 36086 1 1252 . 1 1 109 109 ALA C C 13 179.811 . . . . . . . A 104 ALA C . 36086 1 1253 . 1 1 109 109 ALA CA C 13 55.267 . . . . . . . A 104 ALA CA . 36086 1 1254 . 1 1 109 109 ALA CB C 13 17.865 . . . . . . . A 104 ALA CB . 36086 1 1255 . 1 1 109 109 ALA N N 15 119.231 . . . . . . . A 104 ALA N . 36086 1 1256 . 1 1 110 110 ALA H H 1 7.768 . . . . . . . A 105 ALA H . 36086 1 1257 . 1 1 110 110 ALA HA H 1 4.167 . . . . . . . A 105 ALA HA . 36086 1 1258 . 1 1 110 110 ALA HB1 H 1 1.539 . . . . . . . A 105 ALA HB1 . 36086 1 1259 . 1 1 110 110 ALA HB2 H 1 1.539 . . . . . . . A 105 ALA HB2 . 36086 1 1260 . 1 1 110 110 ALA HB3 H 1 1.539 . . . . . . . A 105 ALA HB3 . 36086 1 1261 . 1 1 110 110 ALA C C 13 180.346 . . . . . . . A 105 ALA C . 36086 1 1262 . 1 1 110 110 ALA CA C 13 54.729 . . . . . . . A 105 ALA CA . 36086 1 1263 . 1 1 110 110 ALA CB C 13 18.289 . . . . . . . A 105 ALA CB . 36086 1 1264 . 1 1 110 110 ALA N N 15 118.188 . . . . . . . A 105 ALA N . 36086 1 1265 . 1 1 111 111 MET H H 1 7.863 . . . . . . . A 106 MET H . 36086 1 1266 . 1 1 111 111 MET HA H 1 4.375 . . . . . . . A 106 MET HA . 36086 1 1267 . 1 1 111 111 MET HB2 H 1 2.169 . . . . . . . A 106 MET HB2 . 36086 1 1268 . 1 1 111 111 MET HB3 H 1 2.439 . . . . . . . A 106 MET HB3 . 36086 1 1269 . 1 1 111 111 MET HG2 H 1 2.698 . . . . . . . A 106 MET HG2 . 36086 1 1270 . 1 1 111 111 MET HG3 H 1 2.757 . . . . . . . A 106 MET HG3 . 36086 1 1271 . 1 1 111 111 MET HE1 H 1 1.802 . . . . . . . A 106 MET HE1 . 36086 1 1272 . 1 1 111 111 MET HE2 H 1 1.802 . . . . . . . A 106 MET HE2 . 36086 1 1273 . 1 1 111 111 MET HE3 H 1 1.802 . . . . . . . A 106 MET HE3 . 36086 1 1274 . 1 1 111 111 MET C C 13 177.288 . . . . . . . A 106 MET C . 36086 1 1275 . 1 1 111 111 MET CA C 13 58.257 . . . . . . . A 106 MET CA . 36086 1 1276 . 1 1 111 111 MET CB C 13 33.505 . . . . . . . A 106 MET CB . 36086 1 1277 . 1 1 111 111 MET CG C 13 31.358 . . . . . . . A 106 MET CG . 36086 1 1278 . 1 1 111 111 MET CE C 13 16.769 . . . . . . . A 106 MET CE . 36086 1 1279 . 1 1 111 111 MET N N 15 117.087 . . . . . . . A 106 MET N . 36086 1 1280 . 1 1 112 112 ILE H H 1 7.153 . . . . . . . A 107 ILE H . 36086 1 1281 . 1 1 112 112 ILE HA H 1 3.441 . . . . . . . A 107 ILE HA . 36086 1 1282 . 1 1 112 112 ILE HB H 1 1.403 . . . . . . . A 107 ILE HB . 36086 1 1283 . 1 1 112 112 ILE HG12 H 1 -0.159 . . . . . . . A 107 ILE HG12 . 36086 1 1284 . 1 1 112 112 ILE HG13 H 1 0.701 . . . . . . . A 107 ILE HG13 . 36086 1 1285 . 1 1 112 112 ILE HG21 H 1 0.280 . . . . . . . A 107 ILE HG21 . 36086 1 1286 . 1 1 112 112 ILE HG22 H 1 0.280 . . . . . . . A 107 ILE HG22 . 36086 1 1287 . 1 1 112 112 ILE HG23 H 1 0.280 . . . . . . . A 107 ILE HG23 . 36086 1 1288 . 1 1 112 112 ILE HD11 H 1 -0.094 . . . . . . . A 107 ILE HD11 . 36086 1 1289 . 1 1 112 112 ILE HD12 H 1 -0.094 . . . . . . . A 107 ILE HD12 . 36086 1 1290 . 1 1 112 112 ILE HD13 H 1 -0.094 . . . . . . . A 107 ILE HD13 . 36086 1 1291 . 1 1 112 112 ILE C C 13 176.274 . . . . . . . A 107 ILE C . 36086 1 1292 . 1 1 112 112 ILE CA C 13 63.002 . . . . . . . A 107 ILE CA . 36086 1 1293 . 1 1 112 112 ILE CB C 13 37.942 . . . . . . . A 107 ILE CB . 36086 1 1294 . 1 1 112 112 ILE CG1 C 13 27.697 . . . . . . . A 107 ILE CG1 . 36086 1 1295 . 1 1 112 112 ILE CG2 C 13 17.983 . . . . . . . A 107 ILE CG2 . 36086 1 1296 . 1 1 112 112 ILE CD1 C 13 13.816 . . . . . . . A 107 ILE CD1 . 36086 1 1297 . 1 1 112 112 ILE N N 15 117.630 . . . . . . . A 107 ILE N . 36086 1 1298 . 1 1 113 113 LYS H H 1 7.441 . . . . . . . A 108 LYS H . 36086 1 1299 . 1 1 113 113 LYS HA H 1 4.235 . . . . . . . A 108 LYS HA . 36086 1 1300 . 1 1 113 113 LYS HB2 H 1 1.864 . . . . . . . A 108 LYS HB2 . 36086 1 1301 . 1 1 113 113 LYS HB3 H 1 1.927 . . . . . . . A 108 LYS HB3 . 36086 1 1302 . 1 1 113 113 LYS HG2 H 1 1.508 . . . . . . . A 108 LYS HG2 . 36086 1 1303 . 1 1 113 113 LYS HG3 H 1 1.557 . . . . . . . A 108 LYS HG3 . 36086 1 1304 . 1 1 113 113 LYS HD2 H 1 1.714 . . . . . . . A 108 LYS HD2 . 36086 1 1305 . 1 1 113 113 LYS HD3 H 1 1.714 . . . . . . . A 108 LYS HD3 . 36086 1 1306 . 1 1 113 113 LYS HE2 H 1 3.018 . . . . . . . A 108 LYS HE2 . 36086 1 1307 . 1 1 113 113 LYS HE3 H 1 3.018 . . . . . . . A 108 LYS HE3 . 36086 1 1308 . 1 1 113 113 LYS C C 13 176.780 . . . . . . . A 108 LYS C . 36086 1 1309 . 1 1 113 113 LYS CA C 13 56.936 . . . . . . . A 108 LYS CA . 36086 1 1310 . 1 1 113 113 LYS CB C 13 32.673 . . . . . . . A 108 LYS CB . 36086 1 1311 . 1 1 113 113 LYS CG C 13 24.483 . . . . . . . A 108 LYS CG . 36086 1 1312 . 1 1 113 113 LYS CD C 13 28.687 . . . . . . . A 108 LYS CD . 36086 1 1313 . 1 1 113 113 LYS CE C 13 42.142 . . . . . . . A 108 LYS CE . 36086 1 1314 . 1 1 113 113 LYS N N 15 118.662 . . . . . . . A 108 LYS N . 36086 1 1315 . 1 1 114 114 GLY H H 1 7.679 . . . . . . . A 109 GLY H . 36086 1 1316 . 1 1 114 114 GLY CA C 13 46.523 . . . . . . . A 109 GLY CA . 36086 1 1317 . 1 1 114 114 GLY N N 15 113.671 . . . . . . . A 109 GLY N . 36086 1 stop_ save_