data_6705 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6705 _Entry.Title ; human beta-parvalbumin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-06-22 _Entry.Accession_date 2005-06-22 _Entry.Last_release_date 2005-11-07 _Entry.Original_release_date 2005-11-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details '1H, 13C, 15N NMR chemical shifts' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Elena Babini . . . 6705 2 Isabella Felli . C. . 6705 3 Moreno Lelli . . . 6705 4 Claudio Luchinat . . . 6705 5 Roberta Pierattelli . . . 6705 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . CERM . 6705 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6705 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 524 6705 '15N chemical shifts' 121 6705 '1H chemical shifts' 746 6705 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 . . 2005-11-07 2005-06-22 original author . 6705 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6705 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16258835 _Citation.Full_citation . _Citation.Title ; Backbone and Side-chains 1H, 13C and 15N NMR Assignment of Human beta-parvalbumin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 33 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 137 _Citation.Page_last 137 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Elena Babini . . . 6705 1 2 Isabella Felli . C. . 6705 1 3 Moreno Lelli . . . 6705 1 4 Claudio Luchinat . . . 6705 1 5 Roberta Pierattelli . . . 6705 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6705 _Assembly.ID 1 _Assembly.Name beta-parvalbumin _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 beta-parvalbumin 1 $beta-parvalbumin . . yes native no no . . . 6705 1 2 'CALCIUM (II) ION, I' 2 $CA . . yes native no no . 'coordinated metal' . 6705 1 3 'CALCIUM (II) ION, II' 2 $CA . . yes native no no . 'coordinated metal' . 6705 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_beta-parvalbumin _Entity.Sf_category entity _Entity.Sf_framecode beta-parvalbumin _Entity.Entry_ID 6705 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name beta-parvalbumin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSITDVLSADDIAAALQECR DPDTFEPQKFFQTSGLSKMS ANQVKDVFRFIDNDQSGYLD EEELKFFLQKFESGARELTE SETKSLMAAADNDGDGKIGA EEFQEMVHS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1TTX . "Solution Stucture Of Human Beta Parvalbumin (Oncomodulin) Refined With A Paramagnetism Based Strategy" . . . . . 100.00 109 100.00 100.00 1.08e-71 . . . . 6705 1 2 no DBJ BAI46970 . "oncomodulin 2 [synthetic construct]" . . . . . 100.00 109 98.17 100.00 5.05e-70 . . . . 6705 1 3 no GB AAA02869 . "oncomodulin [Homo sapiens]" . . . . . 100.00 109 99.08 100.00 7.65e-71 . . . . 6705 1 4 no GB AAB61901 . "CBP-15 [Cavia porcellus]" . . . . . 100.00 109 97.25 100.00 2.20e-69 . . . . 6705 1 5 no GB AAH69468 . "Oncomodulin [Homo sapiens]" . . . . . 100.00 109 100.00 100.00 1.08e-71 . . . . 6705 1 6 no GB AAH69512 . "Oncomodulin [Homo sapiens]" . . . . . 100.00 109 100.00 100.00 1.08e-71 . . . . 6705 1 7 no GB AAH69550 . "Oncomodulin [Homo sapiens]" . . . . . 100.00 109 100.00 100.00 1.08e-71 . . . . 6705 1 8 no REF NP_001091091 . "oncomodulin-1 [Homo sapiens]" . . . . . 100.00 109 100.00 100.00 1.08e-71 . . . . 6705 1 9 no REF NP_001166459 . "oncomodulin [Cavia porcellus]" . . . . . 100.00 109 97.25 100.00 2.20e-69 . . . . 6705 1 10 no REF NP_006179 . "putative oncomodulin-2 [Homo sapiens]" . . . . . 100.00 109 98.17 100.00 5.05e-70 . . . . 6705 1 11 no REF XP_001085597 . "PREDICTED: putative oncomodulin-2 [Macaca mulatta]" . . . . . 100.00 109 98.17 100.00 5.05e-70 . . . . 6705 1 12 no REF XP_001118022 . "PREDICTED: putative oncomodulin-2, partial [Macaca mulatta]" . . . . . 92.66 101 97.03 100.00 9.34e-63 . . . . 6705 1 13 no SP O35508 . "RecName: Full=Oncomodulin; Short=OM; AltName: Full=CBP-15; AltName: Full=Parvalbumin beta [Cavia porcellus]" . . . . . 100.00 109 97.25 100.00 2.20e-69 . . . . 6705 1 14 no SP P0CE71 . "RecName: Full=Putative oncomodulin-2 [Homo sapiens]" . . . . . 100.00 109 98.17 100.00 5.05e-70 . . . . 6705 1 15 no SP P0CE72 . "RecName: Full=Oncomodulin-1; Short=OM; AltName: Full=Parvalbumin beta [Homo sapiens]" . . . . . 100.00 109 100.00 100.00 1.08e-71 . . . . 6705 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Oncomodulin . 6705 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6705 1 2 . SER . 6705 1 3 . ILE . 6705 1 4 . THR . 6705 1 5 . ASP . 6705 1 6 . VAL . 6705 1 7 . LEU . 6705 1 8 . SER . 6705 1 9 . ALA . 6705 1 10 . ASP . 6705 1 11 . ASP . 6705 1 12 . ILE . 6705 1 13 . ALA . 6705 1 14 . ALA . 6705 1 15 . ALA . 6705 1 16 . LEU . 6705 1 17 . GLN . 6705 1 18 . GLU . 6705 1 19 . CYS . 6705 1 20 . ARG . 6705 1 21 . ASP . 6705 1 22 . PRO . 6705 1 23 . ASP . 6705 1 24 . THR . 6705 1 25 . PHE . 6705 1 26 . GLU . 6705 1 27 . PRO . 6705 1 28 . GLN . 6705 1 29 . LYS . 6705 1 30 . PHE . 6705 1 31 . PHE . 6705 1 32 . GLN . 6705 1 33 . THR . 6705 1 34 . SER . 6705 1 35 . GLY . 6705 1 36 . LEU . 6705 1 37 . SER . 6705 1 38 . LYS . 6705 1 39 . MET . 6705 1 40 . SER . 6705 1 41 . ALA . 6705 1 42 . ASN . 6705 1 43 . GLN . 6705 1 44 . VAL . 6705 1 45 . LYS . 6705 1 46 . ASP . 6705 1 47 . VAL . 6705 1 48 . PHE . 6705 1 49 . ARG . 6705 1 50 . PHE . 6705 1 51 . ILE . 6705 1 52 . ASP . 6705 1 53 . ASN . 6705 1 54 . ASP . 6705 1 55 . GLN . 6705 1 56 . SER . 6705 1 57 . GLY . 6705 1 58 . TYR . 6705 1 59 . LEU . 6705 1 60 . ASP . 6705 1 61 . GLU . 6705 1 62 . GLU . 6705 1 63 . GLU . 6705 1 64 . LEU . 6705 1 65 . LYS . 6705 1 66 . PHE . 6705 1 67 . PHE . 6705 1 68 . LEU . 6705 1 69 . GLN . 6705 1 70 . LYS . 6705 1 71 . PHE . 6705 1 72 . GLU . 6705 1 73 . SER . 6705 1 74 . GLY . 6705 1 75 . ALA . 6705 1 76 . ARG . 6705 1 77 . GLU . 6705 1 78 . LEU . 6705 1 79 . THR . 6705 1 80 . GLU . 6705 1 81 . SER . 6705 1 82 . GLU . 6705 1 83 . THR . 6705 1 84 . LYS . 6705 1 85 . SER . 6705 1 86 . LEU . 6705 1 87 . MET . 6705 1 88 . ALA . 6705 1 89 . ALA . 6705 1 90 . ALA . 6705 1 91 . ASP . 6705 1 92 . ASN . 6705 1 93 . ASP . 6705 1 94 . GLY . 6705 1 95 . ASP . 6705 1 96 . GLY . 6705 1 97 . LYS . 6705 1 98 . ILE . 6705 1 99 . GLY . 6705 1 100 . ALA . 6705 1 101 . GLU . 6705 1 102 . GLU . 6705 1 103 . PHE . 6705 1 104 . GLN . 6705 1 105 . GLU . 6705 1 106 . MET . 6705 1 107 . VAL . 6705 1 108 . HIS . 6705 1 109 . SER . 6705 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6705 1 . SER 2 2 6705 1 . ILE 3 3 6705 1 . THR 4 4 6705 1 . ASP 5 5 6705 1 . VAL 6 6 6705 1 . LEU 7 7 6705 1 . SER 8 8 6705 1 . ALA 9 9 6705 1 . ASP 10 10 6705 1 . ASP 11 11 6705 1 . ILE 12 12 6705 1 . ALA 13 13 6705 1 . ALA 14 14 6705 1 . ALA 15 15 6705 1 . LEU 16 16 6705 1 . GLN 17 17 6705 1 . GLU 18 18 6705 1 . CYS 19 19 6705 1 . ARG 20 20 6705 1 . ASP 21 21 6705 1 . PRO 22 22 6705 1 . ASP 23 23 6705 1 . THR 24 24 6705 1 . PHE 25 25 6705 1 . GLU 26 26 6705 1 . PRO 27 27 6705 1 . GLN 28 28 6705 1 . LYS 29 29 6705 1 . PHE 30 30 6705 1 . PHE 31 31 6705 1 . GLN 32 32 6705 1 . THR 33 33 6705 1 . SER 34 34 6705 1 . GLY 35 35 6705 1 . LEU 36 36 6705 1 . SER 37 37 6705 1 . LYS 38 38 6705 1 . MET 39 39 6705 1 . SER 40 40 6705 1 . ALA 41 41 6705 1 . ASN 42 42 6705 1 . GLN 43 43 6705 1 . VAL 44 44 6705 1 . LYS 45 45 6705 1 . ASP 46 46 6705 1 . VAL 47 47 6705 1 . PHE 48 48 6705 1 . ARG 49 49 6705 1 . PHE 50 50 6705 1 . ILE 51 51 6705 1 . ASP 52 52 6705 1 . ASN 53 53 6705 1 . ASP 54 54 6705 1 . GLN 55 55 6705 1 . SER 56 56 6705 1 . GLY 57 57 6705 1 . TYR 58 58 6705 1 . LEU 59 59 6705 1 . ASP 60 60 6705 1 . GLU 61 61 6705 1 . GLU 62 62 6705 1 . GLU 63 63 6705 1 . LEU 64 64 6705 1 . LYS 65 65 6705 1 . PHE 66 66 6705 1 . PHE 67 67 6705 1 . LEU 68 68 6705 1 . GLN 69 69 6705 1 . LYS 70 70 6705 1 . PHE 71 71 6705 1 . GLU 72 72 6705 1 . SER 73 73 6705 1 . GLY 74 74 6705 1 . ALA 75 75 6705 1 . ARG 76 76 6705 1 . GLU 77 77 6705 1 . LEU 78 78 6705 1 . THR 79 79 6705 1 . GLU 80 80 6705 1 . SER 81 81 6705 1 . GLU 82 82 6705 1 . THR 83 83 6705 1 . LYS 84 84 6705 1 . SER 85 85 6705 1 . LEU 86 86 6705 1 . MET 87 87 6705 1 . ALA 88 88 6705 1 . ALA 89 89 6705 1 . ALA 90 90 6705 1 . ASP 91 91 6705 1 . ASN 92 92 6705 1 . ASP 93 93 6705 1 . GLY 94 94 6705 1 . ASP 95 95 6705 1 . GLY 96 96 6705 1 . LYS 97 97 6705 1 . ILE 98 98 6705 1 . GLY 99 99 6705 1 . ALA 100 100 6705 1 . GLU 101 101 6705 1 . GLU 102 102 6705 1 . PHE 103 103 6705 1 . GLN 104 104 6705 1 . GLU 105 105 6705 1 . MET 106 106 6705 1 . VAL 107 107 6705 1 . HIS 108 108 6705 1 . SER 109 109 6705 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 6705 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 . CA . 6705 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 6705 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $beta-parvalbumin . 9606 organism no . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6705 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 6705 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $beta-parvalbumin . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6705 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 6705 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _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 . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 15:31:50 2011 ; _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 6705 CA [Ca++] SMILES CACTVS 3.341 6705 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 6705 CA [Ca+2] SMILES ACDLabs 10.04 6705 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 6705 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6705 CA InChI=1S/Ca/q+2 InChI InChI 1.03 6705 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 6705 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6705 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 . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6705 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6705 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 beta-parvalbumin '[U-13C; U-15N]' . . 1 $beta-parvalbumin . . 2.5 . . mM . . . . 6705 1 2 'CALCIUM (II) ION' . . . 2 $CA . . 5.0 . . mM . . . . 6705 1 3 NaCl . . . . . . . 0.1 . . M . . . . 6705 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6705 _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' 0.2 0.01 M 6705 1 pH 6.5 0.1 pH 6705 1 temperature 298 0.01 K 6705 1 stop_ save_ save_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_2 _Sample_condition_list.Entry_ID 6705 _Sample_condition_list.ID 2 _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' 0.2 0.01 M 6705 2 pH 6.5 0.1 pH 6705 2 temperature 283 0.01 K 6705 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_700_MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 700_MHz_spectrometer _NMR_spectrometer.Entry_ID 6705 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6705 _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 '1H-15N HSQC' no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . . . . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6705 1 2 '1H-13C HSQC' no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . . . . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6705 1 3 '[1H-1H] NOESY' no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . . . . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6705 1 4 '[1H-1H] TOCSY' no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . . . . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6705 1 5 CBCA(CO)NH no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . . . . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6705 1 6 CBCANH no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . . . . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6705 1 7 CC(CO)NH no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . . . . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6705 1 8 '13C (H)CCH-TOCSY' no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . . . . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6705 1 9 HNCO no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . . . . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6705 1 10 HN(CA)CO no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . . . . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6705 1 11 HNHA no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . . . . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6705 1 12 1H-13C-HSQC-NOESY no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . . . . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6705 1 13 1H-15N-HSQC-NOESY no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . . . . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6705 1 14 '2D TOCSY' no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . . . . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6705 1 15 HBCBCGCDHD no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . . . . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6705 1 16 HBCBCGCDCEHE no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . . . . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6705 1 17 CACO-IPAP no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . . . . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6705 1 18 CBCACO-IPAP no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . . . . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6705 1 19 13C-TOCSY-DIPAP no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . . . . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6705 1 20 CON-IPAP no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . . . . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6705 1 21 CANCO no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . . . . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6705 1 22 sel-CANCO no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . . . . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6705 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6705 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $700_MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6705 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0.0 external indirect 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6705 1 H 1 TMS 'methyl protons' . . . . ppm 0.0 external indirect 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6705 1 N 15 'liquid NH3' nitrogen . . . . ppm 0.0 external indirect 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6705 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6705 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6705 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 3.875 . . . . . . . 1 M HA . 6705 1 2 . 1 1 1 1 MET HB2 H 1 2.19 . . . . . . . 1 M HB2 . 6705 1 3 . 1 1 1 1 MET HB3 H 1 2.36 . . . . . . . 1 M HB3 . 6705 1 4 . 1 1 1 1 MET HG2 H 1 2.197 . . . . . . . 1 M QG . 6705 1 5 . 1 1 1 1 MET HG3 H 1 2.197 . . . . . . . 1 M QG . 6705 1 6 . 1 1 1 1 MET HE1 H 1 1.888 . . . . . . . 1 M QE . 6705 1 7 . 1 1 1 1 MET HE2 H 1 1.888 . . . . . . . 1 M QE . 6705 1 8 . 1 1 1 1 MET HE3 H 1 1.888 . . . . . . . 1 M QE . 6705 1 9 . 1 1 1 1 MET C C 13 174.84 . . . . . . . 1 M C . 6705 1 10 . 1 1 1 1 MET CA C 13 57.679 . . . . . . . 1 M CA . 6705 1 11 . 1 1 1 1 MET CB C 13 36.993 . . . . . . . 1 M CB . 6705 1 12 . 1 1 1 1 MET CG C 13 34.779 . . . . . . . 1 M CG . 6705 1 13 . 1 1 1 1 MET CE C 13 20.995 . . . . . . . 1 M CE . 6705 1 14 . 1 1 2 2 SER H H 1 8.831 . . . . . . . 2 S HN . 6705 1 15 . 1 1 2 2 SER HA H 1 4.403 . . . . . . . 2 S HA . 6705 1 16 . 1 1 2 2 SER HB2 H 1 3.539 . . . . . . . 2 S QB . 6705 1 17 . 1 1 2 2 SER HB3 H 1 3.539 . . . . . . . 2 S QB . 6705 1 18 . 1 1 2 2 SER C C 13 177.97 . . . . . . . 2 S C . 6705 1 19 . 1 1 2 2 SER CA C 13 59.252 . . . . . . . 2 S CA . 6705 1 20 . 1 1 2 2 SER CB C 13 67.289 . . . . . . . 2 S CB . 6705 1 21 . 1 1 2 2 SER N N 15 119.66 . . . . . . . 2 S N . 6705 1 22 . 1 1 3 3 ILE H H 1 8.496 . . . . . . . 3 I HN . 6705 1 23 . 1 1 3 3 ILE HA H 1 3.499 . . . . . . . 3 I HA . 6705 1 24 . 1 1 3 3 ILE HB H 1 1.159 . . . . . . . 3 I HB . 6705 1 25 . 1 1 3 3 ILE HG12 H 1 1.097 . . . . . . . 3 I HG12 . 6705 1 26 . 1 1 3 3 ILE HG13 H 1 0.841 . . . . . . . 3 I HG13 . 6705 1 27 . 1 1 3 3 ILE HG21 H 1 0.839 . . . . . . . 3 I QG2 . 6705 1 28 . 1 1 3 3 ILE HG22 H 1 0.839 . . . . . . . 3 I QG2 . 6705 1 29 . 1 1 3 3 ILE HG23 H 1 0.839 . . . . . . . 3 I QG2 . 6705 1 30 . 1 1 3 3 ILE HD11 H 1 0.181 . . . . . . . 3 I QD1 . 6705 1 31 . 1 1 3 3 ILE HD12 H 1 0.181 . . . . . . . 3 I QD1 . 6705 1 32 . 1 1 3 3 ILE HD13 H 1 0.181 . . . . . . . 3 I QD1 . 6705 1 33 . 1 1 3 3 ILE C C 13 179.13 . . . . . . . 3 I C . 6705 1 34 . 1 1 3 3 ILE CA C 13 65.522 . . . . . . . 3 I CA . 6705 1 35 . 1 1 3 3 ILE CB C 13 40.371 . . . . . . . 3 I CB . 6705 1 36 . 1 1 3 3 ILE CG1 C 13 31.985 . . . . . . . 3 I CG1 . 6705 1 37 . 1 1 3 3 ILE CG2 C 13 20.942 . . . . . . . 3 I CG2 . 6705 1 38 . 1 1 3 3 ILE CD1 C 13 16.025 . . . . . . . 3 I CD1 . 6705 1 39 . 1 1 3 3 ILE N N 15 125.5 . . . . . . . 3 I N . 6705 1 40 . 1 1 4 4 THR H H 1 7.226 . . . . . . . 4 T HN . 6705 1 41 . 1 1 4 4 THR HA H 1 4.59 . . . . . . . 4 T HA . 6705 1 42 . 1 1 4 4 THR HB H 1 4.395 . . . . . . . 4 T HB . 6705 1 43 . 1 1 4 4 THR HG21 H 1 1.044 . . . . . . . 4 T QG2 . 6705 1 44 . 1 1 4 4 THR HG22 H 1 1.044 . . . . . . . 4 T QG2 . 6705 1 45 . 1 1 4 4 THR HG23 H 1 1.044 . . . . . . . 4 T QG2 . 6705 1 46 . 1 1 4 4 THR C C 13 177.51 . . . . . . . 4 T C . 6705 1 47 . 1 1 4 4 THR CA C 13 64.965 . . . . . . . 4 T CA . 6705 1 48 . 1 1 4 4 THR CB C 13 70.175 . . . . . . . 4 T CB . 6705 1 49 . 1 1 4 4 THR CG2 C 13 24.907 . . . . . . . 4 T CG2 . 6705 1 50 . 1 1 4 4 THR N N 15 109.81 . . . . . . . 4 T N . 6705 1 51 . 1 1 5 5 ASP H H 1 7.677 . . . . . . . 5 D HN . 6705 1 52 . 1 1 5 5 ASP HA H 1 4.51 . . . . . . . 5 D HA . 6705 1 53 . 1 1 5 5 ASP HB2 H 1 2.724 . . . . . . . 5 D HB2 . 6705 1 54 . 1 1 5 5 ASP HB3 H 1 2.661 . . . . . . . 5 D HB3 . 6705 1 55 . 1 1 5 5 ASP C C 13 178.99 . . . . . . . 5 D C . 6705 1 56 . 1 1 5 5 ASP CA C 13 58.311 . . . . . . . 5 D CA . 6705 1 57 . 1 1 5 5 ASP CB C 13 43.628 . . . . . . . 5 D CB . 6705 1 58 . 1 1 5 5 ASP CG C 13 182.72 . . . . . . . 5 D CG . 6705 1 59 . 1 1 5 5 ASP N N 15 119.44 . . . . . . . 5 D N . 6705 1 60 . 1 1 6 6 VAL H H 1 7.349 . . . . . . . 6 V HN . 6705 1 61 . 1 1 6 6 VAL HA H 1 4.022 . . . . . . . 6 V HA . 6705 1 62 . 1 1 6 6 VAL HB H 1 1.919 . . . . . . . 6 V HB . 6705 1 63 . 1 1 6 6 VAL HG11 H 1 0.802 . . . . . . . 6 V QG1 . 6705 1 64 . 1 1 6 6 VAL HG12 H 1 0.802 . . . . . . . 6 V QG1 . 6705 1 65 . 1 1 6 6 VAL HG13 H 1 0.802 . . . . . . . 6 V QG1 . 6705 1 66 . 1 1 6 6 VAL HG21 H 1 0.796 . . . . . . . 6 V QG2 . 6705 1 67 . 1 1 6 6 VAL HG22 H 1 0.796 . . . . . . . 6 V QG2 . 6705 1 68 . 1 1 6 6 VAL HG23 H 1 0.796 . . . . . . . 6 V QG2 . 6705 1 69 . 1 1 6 6 VAL C C 13 177.24 . . . . . . . 6 V C . 6705 1 70 . 1 1 6 6 VAL CA C 13 65.591 . . . . . . . 6 V CA . 6705 1 71 . 1 1 6 6 VAL CB C 13 36.441 . . . . . . . 6 V CB . 6705 1 72 . 1 1 6 6 VAL CG1 C 13 24.284 . . . . . . . 6 V CG1 . 6705 1 73 . 1 1 6 6 VAL CG2 C 13 23.111 . . . . . . . 6 V CG2 . 6705 1 74 . 1 1 6 6 VAL N N 15 116.33 . . . . . . . 6 V N . 6705 1 75 . 1 1 7 7 LEU H H 1 7.649 . . . . . . . 7 L HN . 6705 1 76 . 1 1 7 7 LEU HA H 1 4.432 . . . . . . . 7 L HA . 6705 1 77 . 1 1 7 7 LEU HB2 H 1 1.434 . . . . . . . 7 L HB2 . 6705 1 78 . 1 1 7 7 LEU HB3 H 1 1.51 . . . . . . . 7 L HB3 . 6705 1 79 . 1 1 7 7 LEU HG H 1 1.512 . . . . . . . 7 L HG . 6705 1 80 . 1 1 7 7 LEU HD11 H 1 0.887 . . . . . . . 7 L QQD . 6705 1 81 . 1 1 7 7 LEU HD12 H 1 0.887 . . . . . . . 7 L QQD . 6705 1 82 . 1 1 7 7 LEU HD13 H 1 0.887 . . . . . . . 7 L QQD . 6705 1 83 . 1 1 7 7 LEU HD21 H 1 0.887 . . . . . . . 7 L QQD . 6705 1 84 . 1 1 7 7 LEU HD22 H 1 0.887 . . . . . . . 7 L QQD . 6705 1 85 . 1 1 7 7 LEU HD23 H 1 0.887 . . . . . . . 7 L QQD . 6705 1 86 . 1 1 7 7 LEU C C 13 177.92 . . . . . . . 7 L C . 6705 1 87 . 1 1 7 7 LEU CA C 13 55.375 . . . . . . . 7 L CA . 6705 1 88 . 1 1 7 7 LEU CB C 13 46.491 . . . . . . . 7 L CB . 6705 1 89 . 1 1 7 7 LEU CG C 13 29.645 . . . . . . . 7 L CG . 6705 1 90 . 1 1 7 7 LEU CD1 C 13 28.255 . . . . . . . 7 L CD1 . 6705 1 91 . 1 1 7 7 LEU CD2 C 13 24.926 . . . . . . . 7 L CD2 . 6705 1 92 . 1 1 7 7 LEU N N 15 118.93 . . . . . . . 7 L N . 6705 1 93 . 1 1 8 8 SER H H 1 8.377 . . . . . . . 8 S HN . 6705 1 94 . 1 1 8 8 SER HA H 1 4.417 . . . . . . . 8 S HA . 6705 1 95 . 1 1 8 8 SER HB2 H 1 3.896 . . . . . . . 8 S HB2 . 6705 1 96 . 1 1 8 8 SER HB3 H 1 3.775 . . . . . . . 8 S HB3 . 6705 1 97 . 1 1 8 8 SER C C 13 179.26 . . . . . . . 8 S C . 6705 1 98 . 1 1 8 8 SER CA C 13 59.051 . . . . . . . 8 S CA . 6705 1 99 . 1 1 8 8 SER CB C 13 66.126 . . . . . . . 8 S CB . 6705 1 100 . 1 1 8 8 SER N N 15 113.59 . . . . . . . 8 S N . 6705 1 101 . 1 1 9 9 ALA H H 1 9.122 . . . . . . . 9 A HN . 6705 1 102 . 1 1 9 9 ALA HA H 1 3.841 . . . . . . . 9 A HA . 6705 1 103 . 1 1 9 9 ALA HB1 H 1 1.35 . . . . . . . 9 A QB . 6705 1 104 . 1 1 9 9 ALA HB2 H 1 1.35 . . . . . . . 9 A QB . 6705 1 105 . 1 1 9 9 ALA HB3 H 1 1.35 . . . . . . . 9 A QB . 6705 1 106 . 1 1 9 9 ALA C C 13 182.57 . . . . . . . 9 A C . 6705 1 107 . 1 1 9 9 ALA CA C 13 57.857 . . . . . . . 9 A CA . 6705 1 108 . 1 1 9 9 ALA CB C 13 20.825 . . . . . . . 9 A CB . 6705 1 109 . 1 1 9 9 ALA N N 15 131.06 . . . . . . . 9 A N . 6705 1 110 . 1 1 10 10 ASP H H 1 8.112 . . . . . . . 10 D HN . 6705 1 111 . 1 1 10 10 ASP HA H 1 4.276 . . . . . . . 10 D HA . 6705 1 112 . 1 1 10 10 ASP HB2 H 1 2.283 . . . . . . . 10 D QB . 6705 1 113 . 1 1 10 10 ASP HB3 H 1 2.283 . . . . . . . 10 D QB . 6705 1 114 . 1 1 10 10 ASP C C 13 181.16 . . . . . . . 10 D C . 6705 1 115 . 1 1 10 10 ASP CA C 13 60.113 . . . . . . . 10 D CA . 6705 1 116 . 1 1 10 10 ASP CB C 13 42.601 . . . . . . . 10 D CB . 6705 1 117 . 1 1 10 10 ASP CG C 13 180.88 . . . . . . . 10 D CG . 6705 1 118 . 1 1 10 10 ASP N N 15 117.68 . . . . . . . 10 D N . 6705 1 119 . 1 1 11 11 ASP H H 1 7.139 . . . . . . . 11 D HN . 6705 1 120 . 1 1 11 11 ASP HA H 1 4.248 . . . . . . . 11 D HA . 6705 1 121 . 1 1 11 11 ASP HB2 H 1 2.498 . . . . . . . 11 D HB2 . 6705 1 122 . 1 1 11 11 ASP HB3 H 1 2.514 . . . . . . . 11 D HB3 . 6705 1 123 . 1 1 11 11 ASP C C 13 181 . . . . . . . 11 D C . 6705 1 124 . 1 1 11 11 ASP CA C 13 59.481 . . . . . . . 11 D CA . 6705 1 125 . 1 1 11 11 ASP CB C 13 42.63 . . . . . . . 11 D CB . 6705 1 126 . 1 1 11 11 ASP CG C 13 181.68 . . . . . . . 11 D CG . 6705 1 127 . 1 1 11 11 ASP N N 15 123.31 . . . . . . . 11 D N . 6705 1 128 . 1 1 12 12 ILE H H 1 7.96 . . . . . . . 12 I HN . 6705 1 129 . 1 1 12 12 ILE HA H 1 3.025 . . . . . . . 12 I HA . 6705 1 130 . 1 1 12 12 ILE HB H 1 1.765 . . . . . . . 12 I HB . 6705 1 131 . 1 1 12 12 ILE HG12 H 1 0.742 . . . . . . . 12 I HG12 . 6705 1 132 . 1 1 12 12 ILE HG13 H 1 0.714 . . . . . . . 12 I HG13 . 6705 1 133 . 1 1 12 12 ILE HG21 H 1 0.718 . . . . . . . 12 I QG2 . 6705 1 134 . 1 1 12 12 ILE HG22 H 1 0.718 . . . . . . . 12 I QG2 . 6705 1 135 . 1 1 12 12 ILE HG23 H 1 0.718 . . . . . . . 12 I QG2 . 6705 1 136 . 1 1 12 12 ILE HD11 H 1 0.796 . . . . . . . 12 I QD1 . 6705 1 137 . 1 1 12 12 ILE HD12 H 1 0.796 . . . . . . . 12 I QD1 . 6705 1 138 . 1 1 12 12 ILE HD13 H 1 0.796 . . . . . . . 12 I QD1 . 6705 1 139 . 1 1 12 12 ILE C C 13 179.54 . . . . . . . 12 I C . 6705 1 140 . 1 1 12 12 ILE CA C 13 68.6 . . . . . . . 12 I CA . 6705 1 141 . 1 1 12 12 ILE CB C 13 40.972 . . . . . . . 12 I CB . 6705 1 142 . 1 1 12 12 ILE CG1 C 13 32.169 . . . . . . . 12 I CG1 . 6705 1 143 . 1 1 12 12 ILE CG2 C 13 20.882 . . . . . . . 12 I CG2 . 6705 1 144 . 1 1 12 12 ILE CD1 C 13 16.96 . . . . . . . 12 I CD1 . 6705 1 145 . 1 1 12 12 ILE N N 15 120.26 . . . . . . . 12 I N . 6705 1 146 . 1 1 13 13 ALA H H 1 7.9 . . . . . . . 13 A HN . 6705 1 147 . 1 1 13 13 ALA HA H 1 3.868 . . . . . . . 13 A HA . 6705 1 148 . 1 1 13 13 ALA HB1 H 1 1.341 . . . . . . . 13 A QB . 6705 1 149 . 1 1 13 13 ALA HB2 H 1 1.341 . . . . . . . 13 A QB . 6705 1 150 . 1 1 13 13 ALA HB3 H 1 1.341 . . . . . . . 13 A QB . 6705 1 151 . 1 1 13 13 ALA C C 13 183.36 . . . . . . . 13 A C . 6705 1 152 . 1 1 13 13 ALA CA C 13 57.74 . . . . . . . 13 A CA . 6705 1 153 . 1 1 13 13 ALA CB C 13 20.217 . . . . . . . 13 A CB . 6705 1 154 . 1 1 13 13 ALA N N 15 120.42 . . . . . . . 13 A N . 6705 1 155 . 1 1 14 14 ALA H H 1 7.577 . . . . . . . 14 A HN . 6705 1 156 . 1 1 14 14 ALA HA H 1 3.879 . . . . . . . 14 A HA . 6705 1 157 . 1 1 14 14 ALA HB1 H 1 1.275 . . . . . . . 14 A QB . 6705 1 158 . 1 1 14 14 ALA HB2 H 1 1.275 . . . . . . . 14 A QB . 6705 1 159 . 1 1 14 14 ALA HB3 H 1 1.275 . . . . . . . 14 A QB . 6705 1 160 . 1 1 14 14 ALA C C 13 182.56 . . . . . . . 14 A C . 6705 1 161 . 1 1 14 14 ALA CA C 13 57.3 . . . . . . . 14 A CA . 6705 1 162 . 1 1 14 14 ALA CB C 13 20.417 . . . . . . . 14 A CB . 6705 1 163 . 1 1 14 14 ALA N N 15 120.88 . . . . . . . 14 A N . 6705 1 164 . 1 1 15 15 ALA H H 1 8 . . . . . . . 15 A HN . 6705 1 165 . 1 1 15 15 ALA HA H 1 3.727 . . . . . . . 15 A HA . 6705 1 166 . 1 1 15 15 ALA HB1 H 1 0.718 . . . . . . . 15 A QB . 6705 1 167 . 1 1 15 15 ALA HB2 H 1 0.718 . . . . . . . 15 A QB . 6705 1 168 . 1 1 15 15 ALA HB3 H 1 0.718 . . . . . . . 15 A QB . 6705 1 169 . 1 1 15 15 ALA C C 13 182.99 . . . . . . . 15 A C . 6705 1 170 . 1 1 15 15 ALA CA C 13 56.858 . . . . . . . 15 A CA . 6705 1 171 . 1 1 15 15 ALA CB C 13 20.675 . . . . . . . 15 A CB . 6705 1 172 . 1 1 15 15 ALA N N 15 123.23 . . . . . . . 15 A N . 6705 1 173 . 1 1 16 16 LEU H H 1 8.363 . . . . . . . 16 L HN . 6705 1 174 . 1 1 16 16 LEU HA H 1 4.034 . . . . . . . 16 L HA . 6705 1 175 . 1 1 16 16 LEU HB2 H 1 1.793 . . . . . . . 16 L HB2 . 6705 1 176 . 1 1 16 16 LEU HB3 H 1 1.323 . . . . . . . 16 L HB3 . 6705 1 177 . 1 1 16 16 LEU HG H 1 1.005 . . . . . . . 16 L HG . 6705 1 178 . 1 1 16 16 LEU HD11 H 1 0.903 . . . . . . . 16 L QQD . 6705 1 179 . 1 1 16 16 LEU HD12 H 1 0.903 . . . . . . . 16 L QQD . 6705 1 180 . 1 1 16 16 LEU HD13 H 1 0.903 . . . . . . . 16 L QQD . 6705 1 181 . 1 1 16 16 LEU HD21 H 1 0.903 . . . . . . . 16 L QQD . 6705 1 182 . 1 1 16 16 LEU HD22 H 1 0.903 . . . . . . . 16 L QQD . 6705 1 183 . 1 1 16 16 LEU HD23 H 1 0.903 . . . . . . . 16 L QQD . 6705 1 184 . 1 1 16 16 LEU C C 13 183.08 . . . . . . . 16 L C . 6705 1 185 . 1 1 16 16 LEU CA C 13 59.229 . . . . . . . 16 L CA . 6705 1 186 . 1 1 16 16 LEU CB C 13 43.589 . . . . . . . 16 L CB . 6705 1 187 . 1 1 16 16 LEU CG C 13 28.616 . . . . . . . 16 L CG . 6705 1 188 . 1 1 16 16 LEU CD1 C 13 27.522 . . . . . . . 16 L CD1 . 6705 1 189 . 1 1 16 16 LEU CD2 C 13 23.939 . . . . . . . 16 L CD2 . 6705 1 190 . 1 1 16 16 LEU N N 15 118.66 . . . . . . . 16 L N . 6705 1 191 . 1 1 17 17 GLN H H 1 8.1 . . . . . . . 17 Q HN . 6705 1 192 . 1 1 17 17 GLN HA H 1 3.898 . . . . . . . 17 Q HA . 6705 1 193 . 1 1 17 17 GLN HB2 H 1 1.718 . . . . . . . 17 Q QB . 6705 1 194 . 1 1 17 17 GLN HB3 H 1 1.718 . . . . . . . 17 Q QB . 6705 1 195 . 1 1 17 17 GLN HG2 H 1 2.272 . . . . . . . 17 Q QG . 6705 1 196 . 1 1 17 17 GLN HG3 H 1 2.272 . . . . . . . 17 Q QG . 6705 1 197 . 1 1 17 17 GLN HE21 H 1 6.669 . . . . . . . 17 Q HE21 . 6705 1 198 . 1 1 17 17 GLN HE22 H 1 7.332 . . . . . . . 17 Q HE22 . 6705 1 199 . 1 1 17 17 GLN C C 13 181.14 . . . . . . . 17 Q C . 6705 1 200 . 1 1 17 17 GLN CA C 13 61.054 . . . . . . . 17 Q CA . 6705 1 201 . 1 1 17 17 GLN CB C 13 30.37 . . . . . . . 17 Q CB . 6705 1 202 . 1 1 17 17 GLN CG C 13 35.894 . . . . . . . 17 Q CG . 6705 1 203 . 1 1 17 17 GLN CD C 13 182.41 . . . . . . . 17 Q CD . 6705 1 204 . 1 1 17 17 GLN N N 15 120.96 . . . . . . . 17 Q N . 6705 1 205 . 1 1 17 17 GLN NE2 N 15 111.65 . . . . . . . 17 Q NE . 6705 1 206 . 1 1 18 18 GLU H H 1 7.31 . . . . . . . 18 E HN . 6705 1 207 . 1 1 18 18 GLU HA H 1 4.04 . . . . . . . 18 E HA . 6705 1 208 . 1 1 18 18 GLU HB2 H 1 1.909 . . . . . . . 18 E HB2 . 6705 1 209 . 1 1 18 18 GLU HB3 H 1 2.071 . . . . . . . 18 E HB3 . 6705 1 210 . 1 1 18 18 GLU HG2 H 1 2.16 . . . . . . . 18 E QG . 6705 1 211 . 1 1 18 18 GLU HG3 H 1 2.16 . . . . . . . 18 E QG . 6705 1 212 . 1 1 18 18 GLU C C 13 179.18 . . . . . . . 18 E C . 6705 1 213 . 1 1 18 18 GLU CA C 13 60.277 . . . . . . . 18 E CA . 6705 1 214 . 1 1 18 18 GLU CB C 13 32.595 . . . . . . . 18 E CB . 6705 1 215 . 1 1 18 18 GLU CG C 13 38.631 . . . . . . . 18 E CG . 6705 1 216 . 1 1 18 18 GLU CD C 13 185.19 . . . . . . . 18 E CD . 6705 1 217 . 1 1 18 18 GLU N N 15 115.9 . . . . . . . 18 E N . 6705 1 218 . 1 1 19 19 CYS H H 1 7.229 . . . . . . . 19 C HN . 6705 1 219 . 1 1 19 19 CYS HA H 1 5.517 . . . . . . . 19 C HA . 6705 1 220 . 1 1 19 19 CYS HB2 H 1 3.051 . . . . . . . 19 C HB2 . 6705 1 221 . 1 1 19 19 CYS HB3 H 1 2.668 . . . . . . . 19 C HB3 . 6705 1 222 . 1 1 19 19 CYS C C 13 176.88 . . . . . . . 19 C C . 6705 1 223 . 1 1 19 19 CYS CA C 13 57.167 . . . . . . . 19 C CA . 6705 1 224 . 1 1 19 19 CYS CB C 13 30.212 . . . . . . . 19 C CB . 6705 1 225 . 1 1 19 19 CYS N N 15 112.32 . . . . . . . 19 C N . 6705 1 226 . 1 1 20 20 ARG H H 1 6.901 . . . . . . . 20 R HN . 6705 1 227 . 1 1 20 20 ARG HA H 1 3.979 . . . . . . . 20 R HA . 6705 1 228 . 1 1 20 20 ARG HB2 H 1 1.663 . . . . . . . 20 R HB2 . 6705 1 229 . 1 1 20 20 ARG HB3 H 1 1.853 . . . . . . . 20 R HB3 . 6705 1 230 . 1 1 20 20 ARG HG2 H 1 1.559 . . . . . . . 20 R QG . 6705 1 231 . 1 1 20 20 ARG HG3 H 1 1.559 . . . . . . . 20 R QG . 6705 1 232 . 1 1 20 20 ARG HD2 H 1 3.06 . . . . . . . 20 R QD . 6705 1 233 . 1 1 20 20 ARG HD3 H 1 3.06 . . . . . . . 20 R QD . 6705 1 234 . 1 1 20 20 ARG C C 13 179.88 . . . . . . . 20 R C . 6705 1 235 . 1 1 20 20 ARG CA C 13 61.76 . . . . . . . 20 R CA . 6705 1 236 . 1 1 20 20 ARG CB C 13 32.73 . . . . . . . 20 R CB . 6705 1 237 . 1 1 20 20 ARG CG C 13 28.633 . . . . . . . 20 R CG . 6705 1 238 . 1 1 20 20 ARG CD C 13 45.72 . . . . . . . 20 R CD . 6705 1 239 . 1 1 20 20 ARG N N 15 123.85 . . . . . . . 20 R N . 6705 1 240 . 1 1 21 21 ASP H H 1 8.172 . . . . . . . 21 D HN . 6705 1 241 . 1 1 21 21 ASP HA H 1 4.789 . . . . . . . 21 D HA . 6705 1 242 . 1 1 21 21 ASP HB2 H 1 2.341 . . . . . . . 21 D HB2 . 6705 1 243 . 1 1 21 21 ASP HB3 H 1 2.407 . . . . . . . 21 D HB3 . 6705 1 244 . 1 1 21 21 ASP C C 13 176.56 . . . . . . . 21 D C . 6705 1 245 . 1 1 21 21 ASP CA C 13 55.111 . . . . . . . 21 D CA . 6705 1 246 . 1 1 21 21 ASP CB C 13 41.681 . . . . . . . 21 D CB . 6705 1 247 . 1 1 21 21 ASP CG C 13 181.59 . . . . . . . 21 D CG . 6705 1 248 . 1 1 21 21 ASP N N 15 118.45 . . . . . . . 21 D N . 6705 1 249 . 1 1 22 22 PRO HA H 1 3.768 . . . . . . . 22 P HA . 6705 1 250 . 1 1 22 22 PRO HB2 H 1 1.615 . . . . . . . 22 P HB2 . 6705 1 251 . 1 1 22 22 PRO HB3 H 1 2.143 . . . . . . . 22 P HB3 . 6705 1 252 . 1 1 22 22 PRO HG2 H 1 2.04 . . . . . . . 22 P HG2 . 6705 1 253 . 1 1 22 22 PRO HG3 H 1 1.854 . . . . . . . 22 P HG3 . 6705 1 254 . 1 1 22 22 PRO HD2 H 1 3.495 . . . . . . . 22 P HD2 . 6705 1 255 . 1 1 22 22 PRO HD3 H 1 3.792 . . . . . . . 22 P HD3 . 6705 1 256 . 1 1 22 22 PRO C C 13 177.79 . . . . . . . 22 P C . 6705 1 257 . 1 1 22 22 PRO CA C 13 66.53 . . . . . . . 22 P CA . 6705 1 258 . 1 1 22 22 PRO CB C 13 34.067 . . . . . . . 22 P CB . 6705 1 259 . 1 1 22 22 PRO CG C 13 30.249 . . . . . . . 22 P CG . 6705 1 260 . 1 1 22 22 PRO CD C 13 52.803 . . . . . . . 22 P CD . 6705 1 261 . 1 1 22 22 PRO N N 15 136.45 . . . . . . . 22 P N . 6705 1 262 . 1 1 23 23 ASP H H 1 7.107 . . . . . . . 23 D HN . 6705 1 263 . 1 1 23 23 ASP HA H 1 4.301 . . . . . . . 23 D HA . 6705 1 264 . 1 1 23 23 ASP HB2 H 1 2.823 . . . . . . . 23 D HB2 . 6705 1 265 . 1 1 23 23 ASP HB3 H 1 2.777 . . . . . . . 23 D HB3 . 6705 1 266 . 1 1 23 23 ASP C C 13 178.38 . . . . . . . 23 D C . 6705 1 267 . 1 1 23 23 ASP CA C 13 60.762 . . . . . . . 23 D CA . 6705 1 268 . 1 1 23 23 ASP CB C 13 40.602 . . . . . . . 23 D CB . 6705 1 269 . 1 1 23 23 ASP CG C 13 183.92 . . . . . . . 23 D CG . 6705 1 270 . 1 1 23 23 ASP N N 15 114.49 . . . . . . . 23 D N . 6705 1 271 . 1 1 24 24 THR H H 1 7.093 . . . . . . . 24 T HN . 6705 1 272 . 1 1 24 24 THR HA H 1 4.416 . . . . . . . 24 T HA . 6705 1 273 . 1 1 24 24 THR HB H 1 4.309 . . . . . . . 24 T HB . 6705 1 274 . 1 1 24 24 THR HG21 H 1 0.914 . . . . . . . 24 T QG2 . 6705 1 275 . 1 1 24 24 THR HG22 H 1 0.914 . . . . . . . 24 T QG2 . 6705 1 276 . 1 1 24 24 THR HG23 H 1 0.914 . . . . . . . 24 T QG2 . 6705 1 277 . 1 1 24 24 THR C C 13 178.29 . . . . . . . 24 T C . 6705 1 278 . 1 1 24 24 THR CA C 13 64.516 . . . . . . . 24 T CA . 6705 1 279 . 1 1 24 24 THR CB C 13 73.128 . . . . . . . 24 T CB . 6705 1 280 . 1 1 24 24 THR CG2 C 13 23.862 . . . . . . . 24 T CG2 . 6705 1 281 . 1 1 24 24 THR N N 15 104.2 . . . . . . . 24 T N . 6705 1 282 . 1 1 25 25 PHE H H 1 8.874 . . . . . . . 25 F HN . 6705 1 283 . 1 1 25 25 PHE HA H 1 4.191 . . . . . . . 25 F HA . 6705 1 284 . 1 1 25 25 PHE HB2 H 1 2.673 . . . . . . . 25 F HB2 . 6705 1 285 . 1 1 25 25 PHE HB3 H 1 2.72 . . . . . . . 25 F HB3 . 6705 1 286 . 1 1 25 25 PHE HD1 H 1 6.985 . . . . . . . 25 F QD . 6705 1 287 . 1 1 25 25 PHE HD2 H 1 6.985 . . . . . . . 25 F QD . 6705 1 288 . 1 1 25 25 PHE HE1 H 1 6.307 . . . . . . . 25 F QE . 6705 1 289 . 1 1 25 25 PHE HE2 H 1 6.307 . . . . . . . 25 F QE . 6705 1 290 . 1 1 25 25 PHE HZ H 1 6.047 . . . . . . . 25 F HZ . 6705 1 291 . 1 1 25 25 PHE C C 13 176.66 . . . . . . . 25 F C . 6705 1 292 . 1 1 25 25 PHE CA C 13 61.76 . . . . . . . 25 F CA . 6705 1 293 . 1 1 25 25 PHE CB C 13 41.868 . . . . . . . 25 F CB . 6705 1 294 . 1 1 25 25 PHE CG C 13 138.41 . . . . . . . 25 F CG . 6705 1 295 . 1 1 25 25 PHE CD1 C 13 132.1 . . . . . . . 25 F CD . 6705 1 296 . 1 1 25 25 PHE CD2 C 13 132.1 . . . . . . . 25 F CD . 6705 1 297 . 1 1 25 25 PHE CE1 C 13 130.55 . . . . . . . 25 F CE . 6705 1 298 . 1 1 25 25 PHE CE2 C 13 130.55 . . . . . . . 25 F CE . 6705 1 299 . 1 1 25 25 PHE CZ C 13 127.64 . . . . . . . 25 F CZ . 6705 1 300 . 1 1 25 25 PHE N N 15 124.26 . . . . . . . 25 F N . 6705 1 301 . 1 1 26 26 GLU H H 1 7.724 . . . . . . . 26 E HN . 6705 1 302 . 1 1 26 26 GLU HA H 1 4.333 . . . . . . . 26 E HA . 6705 1 303 . 1 1 26 26 GLU HB2 H 1 1.485 . . . . . . . 26 E HB2 . 6705 1 304 . 1 1 26 26 GLU HB3 H 1 1.757 . . . . . . . 26 E HB3 . 6705 1 305 . 1 1 26 26 GLU HG2 H 1 1.902 . . . . . . . 26 E HG2 . 6705 1 306 . 1 1 26 26 GLU HG3 H 1 1.952 . . . . . . . 26 E HG3 . 6705 1 307 . 1 1 26 26 GLU C C 13 176.02 . . . . . . . 26 E C . 6705 1 308 . 1 1 26 26 GLU CA C 13 54.87 . . . . . . . 26 E CA . 6705 1 309 . 1 1 26 26 GLU CB C 13 34.526 . . . . . . . 26 E CB . 6705 1 310 . 1 1 26 26 GLU CG C 13 38.612 . . . . . . . 26 E CG . 6705 1 311 . 1 1 26 26 GLU CD C 13 186 . . . . . . . 26 E CD . 6705 1 312 . 1 1 26 26 GLU N N 15 130.06 . . . . . . . 26 E N . 6705 1 313 . 1 1 27 27 PRO HA H 1 2.779 . . . . . . . 27 P HA . 6705 1 314 . 1 1 27 27 PRO HB2 H 1 2.06 . . . . . . . 27 P QB . 6705 1 315 . 1 1 27 27 PRO HB3 H 1 2.06 . . . . . . . 27 P QB . 6705 1 316 . 1 1 27 27 PRO HG2 H 1 1.502 . . . . . . . 27 P HG2 . 6705 1 317 . 1 1 27 27 PRO HG3 H 1 1.785 . . . . . . . 27 P HG3 . 6705 1 318 . 1 1 27 27 PRO HD2 H 1 3.105 . . . . . . . 27 P HD2 . 6705 1 319 . 1 1 27 27 PRO HD3 H 1 3.559 . . . . . . . 27 P HD3 . 6705 1 320 . 1 1 27 27 PRO C C 13 177.73 . . . . . . . 27 P C . 6705 1 321 . 1 1 27 27 PRO CA C 13 67.969 . . . . . . . 27 P CA . 6705 1 322 . 1 1 27 27 PRO CB C 13 34.181 . . . . . . . 27 P CB . 6705 1 323 . 1 1 27 27 PRO CG C 13 29.16 . . . . . . . 27 P CG . 6705 1 324 . 1 1 27 27 PRO CD C 13 52.793 . . . . . . . 27 P CD . 6705 1 325 . 1 1 27 27 PRO N N 15 139.9 . . . . . . . 27 P N . 6705 1 326 . 1 1 28 28 GLN H H 1 8.264 . . . . . . . 28 Q HN . 6705 1 327 . 1 1 28 28 GLN HA H 1 3.707 . . . . . . . 28 Q HA . 6705 1 328 . 1 1 28 28 GLN HB2 H 1 1.779 . . . . . . . 28 Q QB . 6705 1 329 . 1 1 28 28 GLN HB3 H 1 1.779 . . . . . . . 28 Q QB . 6705 1 330 . 1 1 28 28 GLN HG2 H 1 2.195 . . . . . . . 28 Q HG2 . 6705 1 331 . 1 1 28 28 GLN HG3 H 1 2.27 . . . . . . . 28 Q HG3 . 6705 1 332 . 1 1 28 28 GLN HE21 H 1 6.719 . . . . . . . 28 Q HE21 . 6705 1 333 . 1 1 28 28 GLN HE22 H 1 7.568 . . . . . . . 28 Q HE22 . 6705 1 334 . 1 1 28 28 GLN C C 13 181.14 . . . . . . . 28 Q C . 6705 1 335 . 1 1 28 28 GLN CA C 13 62.059 . . . . . . . 28 Q CA . 6705 1 336 . 1 1 28 28 GLN CB C 13 29.982 . . . . . . . 28 Q CB . 6705 1 337 . 1 1 28 28 GLN CG C 13 36.458 . . . . . . . 28 Q CG . 6705 1 338 . 1 1 28 28 GLN CD C 13 182.77 . . . . . . . 28 Q CD . 6705 1 339 . 1 1 28 28 GLN N N 15 113.58 . . . . . . . 28 Q N . 6705 1 340 . 1 1 28 28 GLN NE2 N 15 112.75 . . . . . . . 28 Q NE . 6705 1 341 . 1 1 29 29 LYS H H 1 6.768 . . . . . . . 29 K HN . 6705 1 342 . 1 1 29 29 LYS HA H 1 3.78 . . . . . . . 29 K HA . 6705 1 343 . 1 1 29 29 LYS HB2 H 1 1.557 . . . . . . . 29 K HB2 . 6705 1 344 . 1 1 29 29 LYS HB3 H 1 1.631 . . . . . . . 29 K HB3 . 6705 1 345 . 1 1 29 29 LYS HG2 H 1 1.215 . . . . . . . 29 K QG . 6705 1 346 . 1 1 29 29 LYS HG3 H 1 1.215 . . . . . . . 29 K QG . 6705 1 347 . 1 1 29 29 LYS HD2 H 1 1.414 . . . . . . . 29 K QD . 6705 1 348 . 1 1 29 29 LYS HD3 H 1 1.414 . . . . . . . 29 K QD . 6705 1 349 . 1 1 29 29 LYS HE2 H 1 2.844 . . . . . . . 29 K HE2 . 6705 1 350 . 1 1 29 29 LYS HE3 H 1 2.702 . . . . . . . 29 K HE3 . 6705 1 351 . 1 1 29 29 LYS C C 13 179.82 . . . . . . . 29 K C . 6705 1 352 . 1 1 29 29 LYS CA C 13 61.279 . . . . . . . 29 K CA . 6705 1 353 . 1 1 29 29 LYS CB C 13 34.811 . . . . . . . 29 K CB . 6705 1 354 . 1 1 29 29 LYS CG C 13 26.887 . . . . . . . 29 K CG . 6705 1 355 . 1 1 29 29 LYS CD C 13 31.673 . . . . . . . 29 K CD . 6705 1 356 . 1 1 29 29 LYS CE C 13 44.15 . . . . . . . 29 K CE . 6705 1 357 . 1 1 29 29 LYS N N 15 118.66 . . . . . . . 29 K N . 6705 1 358 . 1 1 30 30 PHE H H 1 7.576 . . . . . . . 30 F HN . 6705 1 359 . 1 1 30 30 PHE HA H 1 4.102 . . . . . . . 30 F HA . 6705 1 360 . 1 1 30 30 PHE HB2 H 1 2.308 . . . . . . . 30 F QB . 6705 1 361 . 1 1 30 30 PHE HB3 H 1 2.308 . . . . . . . 30 F QB . 6705 1 362 . 1 1 30 30 PHE HD1 H 1 6.788 . . . . . . . 30 F QD . 6705 1 363 . 1 1 30 30 PHE HD2 H 1 6.788 . . . . . . . 30 F QD . 6705 1 364 . 1 1 30 30 PHE HE1 H 1 6.4 . . . . . . . 30 F QE . 6705 1 365 . 1 1 30 30 PHE HE2 H 1 6.4 . . . . . . . 30 F QE . 6705 1 366 . 1 1 30 30 PHE HZ H 1 5.589 . . . . . . . 30 F HZ . 6705 1 367 . 1 1 30 30 PHE C C 13 182.93 . . . . . . . 30 F C . 6705 1 368 . 1 1 30 30 PHE CA C 13 64.203 . . . . . . . 30 F CA . 6705 1 369 . 1 1 30 30 PHE CB C 13 42.413 . . . . . . . 30 F CB . 6705 1 370 . 1 1 30 30 PHE CG C 13 139.25 . . . . . . . 30 F CG . 6705 1 371 . 1 1 30 30 PHE CD1 C 13 130.57 . . . . . . . 30 F CD . 6705 1 372 . 1 1 30 30 PHE CD2 C 13 130.57 . . . . . . . 30 F CD . 6705 1 373 . 1 1 30 30 PHE CE1 C 13 131.38 . . . . . . . 30 F CE . 6705 1 374 . 1 1 30 30 PHE CE2 C 13 131.38 . . . . . . . 30 F CE . 6705 1 375 . 1 1 30 30 PHE CZ C 13 128.62 . . . . . . . 30 F CZ . 6705 1 376 . 1 1 30 30 PHE N N 15 119.18 . . . . . . . 30 F N . 6705 1 377 . 1 1 31 31 PHE H H 1 8.756 . . . . . . . 31 F HN . 6705 1 378 . 1 1 31 31 PHE HA H 1 4.203 . . . . . . . 31 F HA . 6705 1 379 . 1 1 31 31 PHE HB2 H 1 3.118 . . . . . . . 31 F QB . 6705 1 380 . 1 1 31 31 PHE HB3 H 1 3.118 . . . . . . . 31 F QB . 6705 1 381 . 1 1 31 31 PHE HD1 H 1 7.152 . . . . . . . 31 F QD . 6705 1 382 . 1 1 31 31 PHE HD2 H 1 7.152 . . . . . . . 31 F QD . 6705 1 383 . 1 1 31 31 PHE HE1 H 1 7.077 . . . . . . . 31 F QE . 6705 1 384 . 1 1 31 31 PHE HE2 H 1 7.077 . . . . . . . 31 F QE . 6705 1 385 . 1 1 31 31 PHE HZ H 1 6.836 . . . . . . . 31 F HZ . 6705 1 386 . 1 1 31 31 PHE C C 13 179.48 . . . . . . . 31 F C . 6705 1 387 . 1 1 31 31 PHE CA C 13 61.631 . . . . . . . 31 F CA . 6705 1 388 . 1 1 31 31 PHE CB C 13 39.134 . . . . . . . 31 F CB . 6705 1 389 . 1 1 31 31 PHE CG C 13 139 . . . . . . . 31 F CG . 6705 1 390 . 1 1 31 31 PHE CD1 C 13 132.27 . . . . . . . 31 F CD . 6705 1 391 . 1 1 31 31 PHE CD2 C 13 132.27 . . . . . . . 31 F CD . 6705 1 392 . 1 1 31 31 PHE CE1 C 13 130.63 . . . . . . . 31 F CE . 6705 1 393 . 1 1 31 31 PHE CE2 C 13 130.63 . . . . . . . 31 F CE . 6705 1 394 . 1 1 31 31 PHE CZ C 13 128.81 . . . . . . . 31 F CZ . 6705 1 395 . 1 1 31 31 PHE N N 15 119.83 . . . . . . . 31 F N . 6705 1 396 . 1 1 32 32 GLN H H 1 7.717 . . . . . . . 32 Q HN . 6705 1 397 . 1 1 32 32 GLN HA H 1 4.154 . . . . . . . 32 Q HA . 6705 1 398 . 1 1 32 32 GLN HB2 H 1 2.067 . . . . . . . 32 Q HB2 . 6705 1 399 . 1 1 32 32 GLN HB3 H 1 2.018 . . . . . . . 32 Q HB3 . 6705 1 400 . 1 1 32 32 GLN HG2 H 1 2.247 . . . . . . . 32 Q HG2 . 6705 1 401 . 1 1 32 32 GLN HG3 H 1 2.304 . . . . . . . 32 Q HG3 . 6705 1 402 . 1 1 32 32 GLN HE21 H 1 6.631 . . . . . . . 32 Q HE21 . 6705 1 403 . 1 1 32 32 GLN HE22 H 1 7.411 . . . . . . . 32 Q HE22 . 6705 1 404 . 1 1 32 32 GLN C C 13 181.77 . . . . . . . 32 Q C . 6705 1 405 . 1 1 32 32 GLN CA C 13 60.771 . . . . . . . 32 Q CA . 6705 1 406 . 1 1 32 32 GLN CB C 13 30.814 . . . . . . . 32 Q CB . 6705 1 407 . 1 1 32 32 GLN CG C 13 36.117 . . . . . . . 32 Q CG . 6705 1 408 . 1 1 32 32 GLN CD C 13 182.69 . . . . . . . 32 Q CD . 6705 1 409 . 1 1 32 32 GLN N N 15 119.26 . . . . . . . 32 Q N . 6705 1 410 . 1 1 32 32 GLN NE2 N 15 111.89 . . . . . . . 32 Q NE . 6705 1 411 . 1 1 33 33 THR H H 1 9.155 . . . . . . . 33 T HN . 6705 1 412 . 1 1 33 33 THR HA H 1 3.53 . . . . . . . 33 T HA . 6705 1 413 . 1 1 33 33 THR HB H 1 3.557 . . . . . . . 33 T HB . 6705 1 414 . 1 1 33 33 THR HG21 H 1 0.702 . . . . . . . 33 T QG2 . 6705 1 415 . 1 1 33 33 THR HG22 H 1 0.702 . . . . . . . 33 T QG2 . 6705 1 416 . 1 1 33 33 THR HG23 H 1 0.702 . . . . . . . 33 T QG2 . 6705 1 417 . 1 1 33 33 THR C C 13 178.25 . . . . . . . 33 T C . 6705 1 418 . 1 1 33 33 THR CA C 13 68.638 . . . . . . . 33 T CA . 6705 1 419 . 1 1 33 33 THR CB C 13 70.286 . . . . . . . 33 T CB . 6705 1 420 . 1 1 33 33 THR CG2 C 13 25.315 . . . . . . . 33 T CG2 . 6705 1 421 . 1 1 33 33 THR N N 15 119.98 . . . . . . . 33 T N . 6705 1 422 . 1 1 34 34 SER H H 1 7.809 . . . . . . . 34 S HN . 6705 1 423 . 1 1 34 34 SER HA H 1 3.266 . . . . . . . 34 S HA . 6705 1 424 . 1 1 34 34 SER HB2 H 1 3.299 . . . . . . . 34 S HB2 . 6705 1 425 . 1 1 34 34 SER HB3 H 1 2.59 . . . . . . . 34 S HB3 . 6705 1 426 . 1 1 34 34 SER C C 13 175.74 . . . . . . . 34 S C . 6705 1 427 . 1 1 34 34 SER CA C 13 63.512 . . . . . . . 34 S CA . 6705 1 428 . 1 1 34 34 SER CB C 13 65.87 . . . . . . . 34 S CB . 6705 1 429 . 1 1 34 34 SER N N 15 110.33 . . . . . . . 34 S N . 6705 1 430 . 1 1 35 35 GLY H H 1 6.877 . . . . . . . 35 G HN . 6705 1 431 . 1 1 35 35 GLY HA2 H 1 4.241 . . . . . . . 35 G HA1 . 6705 1 432 . 1 1 35 35 GLY HA3 H 1 3.708 . . . . . . . 35 G HA2 . 6705 1 433 . 1 1 35 35 GLY C C 13 178.03 . . . . . . . 35 G C . 6705 1 434 . 1 1 35 35 GLY CA C 13 47.518 . . . . . . . 35 G CA . 6705 1 435 . 1 1 35 35 GLY N N 15 106.38 . . . . . . . 35 G N . 6705 1 436 . 1 1 36 36 LEU H H 1 7.887 . . . . . . . 36 L HN . 6705 1 437 . 1 1 36 36 LEU HA H 1 3.938 . . . . . . . 36 L HA . 6705 1 438 . 1 1 36 36 LEU HB2 H 1 1.73 . . . . . . . 36 L HB2 . 6705 1 439 . 1 1 36 36 LEU HB3 H 1 1.466 . . . . . . . 36 L HB3 . 6705 1 440 . 1 1 36 36 LEU HG H 1 1.888 . . . . . . . 36 L HG . 6705 1 441 . 1 1 36 36 LEU HD11 H 1 1.707 . . . . . . . 36 L QD1 . 6705 1 442 . 1 1 36 36 LEU HD12 H 1 1.707 . . . . . . . 36 L QD1 . 6705 1 443 . 1 1 36 36 LEU HD13 H 1 1.707 . . . . . . . 36 L QD1 . 6705 1 444 . 1 1 36 36 LEU HD21 H 1 1.115 . . . . . . . 36 L QD2 . 6705 1 445 . 1 1 36 36 LEU HD22 H 1 1.115 . . . . . . . 36 L QD2 . 6705 1 446 . 1 1 36 36 LEU HD23 H 1 1.115 . . . . . . . 36 L QD2 . 6705 1 447 . 1 1 36 36 LEU C C 13 180.5 . . . . . . . 36 L C . 6705 1 448 . 1 1 36 36 LEU CA C 13 60.797 . . . . . . . 36 L CA . 6705 1 449 . 1 1 36 36 LEU CB C 13 45.243 . . . . . . . 36 L CB . 6705 1 450 . 1 1 36 36 LEU CG C 13 30.334 . . . . . . . 36 L CG . 6705 1 451 . 1 1 36 36 LEU CD1 C 13 28.347 . . . . . . . 36 L CD1 . 6705 1 452 . 1 1 36 36 LEU CD2 C 13 28.224 . . . . . . . 36 L CD2 . 6705 1 453 . 1 1 36 36 LEU N N 15 124.53 . . . . . . . 36 L N . 6705 1 454 . 1 1 37 37 SER H H 1 7.892 . . . . . . . 37 S HN . 6705 1 455 . 1 1 37 37 SER HA H 1 3.873 . . . . . . . 37 S HA . 6705 1 456 . 1 1 37 37 SER HB2 H 1 3.91 . . . . . . . 37 S HB2 . 6705 1 457 . 1 1 37 37 SER HB3 H 1 3.566 . . . . . . . 37 S HB3 . 6705 1 458 . 1 1 37 37 SER C C 13 177.16 . . . . . . . 37 S C . 6705 1 459 . 1 1 37 37 SER CA C 13 63.234 . . . . . . . 37 S CA . 6705 1 460 . 1 1 37 37 SER CB C 13 65.787 . . . . . . . 37 S CB . 6705 1 461 . 1 1 37 37 SER N N 15 109.24 . . . . . . . 37 S N . 6705 1 462 . 1 1 38 38 LYS H H 1 7.009 . . . . . . . 38 K HN . 6705 1 463 . 1 1 38 38 LYS HA H 1 4.287 . . . . . . . 38 K HA . 6705 1 464 . 1 1 38 38 LYS HB2 H 1 1.813 . . . . . . . 38 K HB2 . 6705 1 465 . 1 1 38 38 LYS HB3 H 1 1.613 . . . . . . . 38 K HB3 . 6705 1 466 . 1 1 38 38 LYS HG2 H 1 1.276 . . . . . . . 38 K QG . 6705 1 467 . 1 1 38 38 LYS HG3 H 1 1.276 . . . . . . . 38 K QG . 6705 1 468 . 1 1 38 38 LYS HD2 H 1 1.423 . . . . . . . 38 K HD2 . 6705 1 469 . 1 1 38 38 LYS HD3 H 1 1.504 . . . . . . . 38 K HD3 . 6705 1 470 . 1 1 38 38 LYS HE2 H 1 2.636 . . . . . . . 38 K HE2 . 6705 1 471 . 1 1 38 38 LYS HE3 H 1 2.581 . . . . . . . 38 K HE3 . 6705 1 472 . 1 1 38 38 LYS C C 13 179.41 . . . . . . . 38 K C . 6705 1 473 . 1 1 38 38 LYS CA C 13 58.004 . . . . . . . 38 K CA . 6705 1 474 . 1 1 38 38 LYS CB C 13 35.394 . . . . . . . 38 K CB . 6705 1 475 . 1 1 38 38 LYS CG C 13 27.26 . . . . . . . 38 K CG . 6705 1 476 . 1 1 38 38 LYS CD C 13 31.54 . . . . . . . 38 K CD . 6705 1 477 . 1 1 38 38 LYS CE C 13 44.373 . . . . . . . 38 K CE . 6705 1 478 . 1 1 38 38 LYS N N 15 118.42 . . . . . . . 38 K N . 6705 1 479 . 1 1 39 39 MET H H 1 7.181 . . . . . . . 39 M HN . 6705 1 480 . 1 1 39 39 MET HA H 1 4.363 . . . . . . . 39 M HA . 6705 1 481 . 1 1 39 39 MET HB2 H 1 2.481 . . . . . . . 39 M HB2 . 6705 1 482 . 1 1 39 39 MET HB3 H 1 2.611 . . . . . . . 39 M HB3 . 6705 1 483 . 1 1 39 39 MET HG2 H 1 1.965 . . . . . . . 39 M HG2 . 6705 1 484 . 1 1 39 39 MET HG3 H 1 2.036 . . . . . . . 39 M HG3 . 6705 1 485 . 1 1 39 39 MET HE1 H 1 1.717 . . . . . . . 39 M QE . 6705 1 486 . 1 1 39 39 MET HE2 H 1 1.717 . . . . . . . 39 M QE . 6705 1 487 . 1 1 39 39 MET HE3 H 1 1.717 . . . . . . . 39 M QE . 6705 1 488 . 1 1 39 39 MET C C 13 178.92 . . . . . . . 39 M C . 6705 1 489 . 1 1 39 39 MET CA C 13 57.968 . . . . . . . 39 M CA . 6705 1 490 . 1 1 39 39 MET CB C 13 35.834 . . . . . . . 39 M CB . 6705 1 491 . 1 1 39 39 MET CG C 13 35.738 . . . . . . . 39 M CG . 6705 1 492 . 1 1 39 39 MET CE C 13 19.114 . . . . . . . 39 M CE . 6705 1 493 . 1 1 39 39 MET N N 15 119.22 . . . . . . . 39 M N . 6705 1 494 . 1 1 40 40 SER H H 1 8.762 . . . . . . . 40 S HN . 6705 1 495 . 1 1 40 40 SER HA H 1 4.325 . . . . . . . 40 S HA . 6705 1 496 . 1 1 40 40 SER HB2 H 1 3.899 . . . . . . . 40 S HB2 . 6705 1 497 . 1 1 40 40 SER HB3 H 1 4.178 . . . . . . . 40 S HB3 . 6705 1 498 . 1 1 40 40 SER C C 13 177.33 . . . . . . . 40 S C . 6705 1 499 . 1 1 40 40 SER CA C 13 60.078 . . . . . . . 40 S CA . 6705 1 500 . 1 1 40 40 SER CB C 13 67.389 . . . . . . . 40 S CB . 6705 1 501 . 1 1 40 40 SER N N 15 117.69 . . . . . . . 40 S N . 6705 1 502 . 1 1 41 41 ALA H H 1 8.791 . . . . . . . 41 A HN . 6705 1 503 . 1 1 41 41 ALA HA H 1 3.739 . . . . . . . 41 A HA . 6705 1 504 . 1 1 41 41 ALA HB1 H 1 1.237 . . . . . . . 41 A QB . 6705 1 505 . 1 1 41 41 ALA HB2 H 1 1.237 . . . . . . . 41 A QB . 6705 1 506 . 1 1 41 41 ALA HB3 H 1 1.237 . . . . . . . 41 A QB . 6705 1 507 . 1 1 41 41 ALA C C 13 182.62 . . . . . . . 41 A C . 6705 1 508 . 1 1 41 41 ALA CA C 13 58.038 . . . . . . . 41 A CA . 6705 1 509 . 1 1 41 41 ALA CB C 13 20.144 . . . . . . . 41 A CB . 6705 1 510 . 1 1 41 41 ALA N N 15 123.86 . . . . . . . 41 A N . 6705 1 511 . 1 1 42 42 ASN H H 1 8.432 . . . . . . . 42 N HN . 6705 1 512 . 1 1 42 42 ASN HA H 1 4.187 . . . . . . . 42 N HA . 6705 1 513 . 1 1 42 42 ASN HB2 H 1 2.648 . . . . . . . 42 N HB2 . 6705 1 514 . 1 1 42 42 ASN HB3 H 1 2.534 . . . . . . . 42 N HB3 . 6705 1 515 . 1 1 42 42 ASN HD21 H 1 6.856 . . . . . . . 42 N HD21 . 6705 1 516 . 1 1 42 42 ASN HD22 H 1 7.525 . . . . . . . 42 N HD22 . 6705 1 517 . 1 1 42 42 ASN C C 13 179.99 . . . . . . . 42 N C . 6705 1 518 . 1 1 42 42 ASN CA C 13 58.583 . . . . . . . 42 N CA . 6705 1 519 . 1 1 42 42 ASN CB C 13 39.896 . . . . . . . 42 N CB . 6705 1 520 . 1 1 42 42 ASN CG C 13 178.92 . . . . . . . 42 N CG . 6705 1 521 . 1 1 42 42 ASN N N 15 115.17 . . . . . . . 42 N N . 6705 1 522 . 1 1 42 42 ASN ND2 N 15 113.26 . . . . . . . 42 N ND . 6705 1 523 . 1 1 43 43 GLN H H 1 7.371 . . . . . . . 43 Q HN . 6705 1 524 . 1 1 43 43 GLN HA H 1 4.129 . . . . . . . 43 Q HA . 6705 1 525 . 1 1 43 43 GLN HB2 H 1 2.31 . . . . . . . 43 Q HB2 . 6705 1 526 . 1 1 43 43 GLN HB3 H 1 2.218 . . . . . . . 43 Q HB3 . 6705 1 527 . 1 1 43 43 GLN HG2 H 1 2.322 . . . . . . . 43 Q QG . 6705 1 528 . 1 1 43 43 GLN HG3 H 1 2.322 . . . . . . . 43 Q QG . 6705 1 529 . 1 1 43 43 GLN HE21 H 1 6.83 . . . . . . . 43 Q HE21 . 6705 1 530 . 1 1 43 43 GLN HE22 H 1 7.631 . . . . . . . 43 Q HE22 . 6705 1 531 . 1 1 43 43 GLN C C 13 181.07 . . . . . . . 43 Q C . 6705 1 532 . 1 1 43 43 GLN CA C 13 61.276 . . . . . . . 43 Q CA . 6705 1 533 . 1 1 43 43 GLN CB C 13 31.756 . . . . . . . 43 Q CB . 6705 1 534 . 1 1 43 43 GLN CG C 13 37.538 . . . . . . . 43 Q CG . 6705 1 535 . 1 1 43 43 GLN CD C 13 182.48 . . . . . . . 43 Q CD . 6705 1 536 . 1 1 43 43 GLN N N 15 120.05 . . . . . . . 43 Q N . 6705 1 537 . 1 1 43 43 GLN NE2 N 15 113.04 . . . . . . . 43 Q NE . 6705 1 538 . 1 1 44 44 VAL H H 1 8.305 . . . . . . . 44 V HN . 6705 1 539 . 1 1 44 44 VAL HA H 1 3.358 . . . . . . . 44 V HA . 6705 1 540 . 1 1 44 44 VAL HB H 1 1.977 . . . . . . . 44 V HB . 6705 1 541 . 1 1 44 44 VAL HG11 H 1 0.752 . . . . . . . 44 V QG1 . 6705 1 542 . 1 1 44 44 VAL HG12 H 1 0.752 . . . . . . . 44 V QG1 . 6705 1 543 . 1 1 44 44 VAL HG13 H 1 0.752 . . . . . . . 44 V QG1 . 6705 1 544 . 1 1 44 44 VAL HG21 H 1 0.79 . . . . . . . 44 V QG2 . 6705 1 545 . 1 1 44 44 VAL HG22 H 1 0.79 . . . . . . . 44 V QG2 . 6705 1 546 . 1 1 44 44 VAL HG23 H 1 0.79 . . . . . . . 44 V QG2 . 6705 1 547 . 1 1 44 44 VAL C C 13 180.51 . . . . . . . 44 V C . 6705 1 548 . 1 1 44 44 VAL CA C 13 69.808 . . . . . . . 44 V CA . 6705 1 549 . 1 1 44 44 VAL CB C 13 33.732 . . . . . . . 44 V CB . 6705 1 550 . 1 1 44 44 VAL CG1 C 13 27.133 . . . . . . . 44 V CG1 . 6705 1 551 . 1 1 44 44 VAL CG2 C 13 25.105 . . . . . . . 44 V CG2 . 6705 1 552 . 1 1 44 44 VAL N N 15 119.88 . . . . . . . 44 V N . 6705 1 553 . 1 1 45 45 LYS H H 1 7.776 . . . . . . . 45 K HN . 6705 1 554 . 1 1 45 45 LYS HA H 1 3.909 . . . . . . . 45 K HA . 6705 1 555 . 1 1 45 45 LYS HB2 H 1 1.671 . . . . . . . 45 K HB2 . 6705 1 556 . 1 1 45 45 LYS HB3 H 1 1.82 . . . . . . . 45 K HB3 . 6705 1 557 . 1 1 45 45 LYS HG2 H 1 1.453 . . . . . . . 45 K HG2 . 6705 1 558 . 1 1 45 45 LYS HG3 H 1 1.32 . . . . . . . 45 K HG3 . 6705 1 559 . 1 1 45 45 LYS HD2 H 1 1.467 . . . . . . . 45 K QD . 6705 1 560 . 1 1 45 45 LYS HD3 H 1 1.467 . . . . . . . 45 K QD . 6705 1 561 . 1 1 45 45 LYS HE2 H 1 2.826 . . . . . . . 45 K HE2 . 6705 1 562 . 1 1 45 45 LYS HE3 H 1 2.698 . . . . . . . 45 K HE3 . 6705 1 563 . 1 1 45 45 LYS C C 13 180.86 . . . . . . . 45 K C . 6705 1 564 . 1 1 45 45 LYS CA C 13 62.073 . . . . . . . 45 K CA . 6705 1 565 . 1 1 45 45 LYS CB C 13 34.447 . . . . . . . 45 K CB . 6705 1 566 . 1 1 45 45 LYS CG C 13 27.897 . . . . . . . 45 K CG . 6705 1 567 . 1 1 45 45 LYS CD C 13 31.276 . . . . . . . 45 K CD . 6705 1 568 . 1 1 45 45 LYS CE C 13 44.311 . . . . . . . 45 K CE . 6705 1 569 . 1 1 45 45 LYS N N 15 120 . . . . . . . 45 K N . 6705 1 570 . 1 1 46 46 ASP H H 1 7.403 . . . . . . . 46 D HN . 6705 1 571 . 1 1 46 46 ASP HA H 1 4.147 . . . . . . . 46 D HA . 6705 1 572 . 1 1 46 46 ASP HB2 H 1 2.939 . . . . . . . 46 D QB . 6705 1 573 . 1 1 46 46 ASP HB3 H 1 2.939 . . . . . . . 46 D QB . 6705 1 574 . 1 1 46 46 ASP C C 13 180.8 . . . . . . . 46 D C . 6705 1 575 . 1 1 46 46 ASP CA C 13 59.396 . . . . . . . 46 D CA . 6705 1 576 . 1 1 46 46 ASP CB C 13 41.927 . . . . . . . 46 D CB . 6705 1 577 . 1 1 46 46 ASP CG C 13 181.98 . . . . . . . 46 D CG . 6705 1 578 . 1 1 46 46 ASP N N 15 119.92 . . . . . . . 46 D N . 6705 1 579 . 1 1 47 47 VAL H H 1 7.611 . . . . . . . 47 V HN . 6705 1 580 . 1 1 47 47 VAL HA H 1 3.465 . . . . . . . 47 V HA . 6705 1 581 . 1 1 47 47 VAL HB H 1 2.361 . . . . . . . 47 V HB . 6705 1 582 . 1 1 47 47 VAL HG11 H 1 0.941 . . . . . . . 47 V QG1 . 6705 1 583 . 1 1 47 47 VAL HG12 H 1 0.941 . . . . . . . 47 V QG1 . 6705 1 584 . 1 1 47 47 VAL HG13 H 1 0.941 . . . . . . . 47 V QG1 . 6705 1 585 . 1 1 47 47 VAL HG21 H 1 0.916 . . . . . . . 47 V QG2 . 6705 1 586 . 1 1 47 47 VAL HG22 H 1 0.916 . . . . . . . 47 V QG2 . 6705 1 587 . 1 1 47 47 VAL HG23 H 1 0.916 . . . . . . . 47 V QG2 . 6705 1 588 . 1 1 47 47 VAL C C 13 179.66 . . . . . . . 47 V C . 6705 1 589 . 1 1 47 47 VAL CA C 13 69.434 . . . . . . . 47 V CA . 6705 1 590 . 1 1 47 47 VAL CB C 13 33.543 . . . . . . . 47 V CB . 6705 1 591 . 1 1 47 47 VAL CG1 C 13 25.92 . . . . . . . 47 V CG1 . 6705 1 592 . 1 1 47 47 VAL CG2 C 13 23.691 . . . . . . . 47 V CG2 . 6705 1 593 . 1 1 47 47 VAL N N 15 120.16 . . . . . . . 47 V N . 6705 1 594 . 1 1 48 48 PHE H H 1 8.431 . . . . . . . 48 F HN . 6705 1 595 . 1 1 48 48 PHE HA H 1 2.969 . . . . . . . 48 F HA . 6705 1 596 . 1 1 48 48 PHE HB2 H 1 2.655 . . . . . . . 48 F HB2 . 6705 1 597 . 1 1 48 48 PHE HB3 H 1 3.27 . . . . . . . 48 F HB3 . 6705 1 598 . 1 1 48 48 PHE HD1 H 1 6.37 . . . . . . . 48 F QD . 6705 1 599 . 1 1 48 48 PHE HD2 H 1 6.37 . . . . . . . 48 F QD . 6705 1 600 . 1 1 48 48 PHE HE1 H 1 6.681 . . . . . . . 48 F HE . 6705 1 601 . 1 1 48 48 PHE HE2 H 1 6.681 . . . . . . . 48 F HE . 6705 1 602 . 1 1 48 48 PHE HZ H 1 6.929 . . . . . . . 48 F HZ . 6705 1 603 . 1 1 48 48 PHE C C 13 178.84 . . . . . . . 48 F C . 6705 1 604 . 1 1 48 48 PHE CA C 13 64.549 . . . . . . . 48 F CA . 6705 1 605 . 1 1 48 48 PHE CB C 13 41.003 . . . . . . . 48 F CB . 6705 1 606 . 1 1 48 48 PHE CG C 13 137.83 . . . . . . . 48 F CG . 6705 1 607 . 1 1 48 48 PHE CD1 C 13 131.2 . . . . . . . 48 F CD . 6705 1 608 . 1 1 48 48 PHE CD2 C 13 131.2 . . . . . . . 48 F CD . 6705 1 609 . 1 1 48 48 PHE CE1 C 13 132 . . . . . . . 48 F CE . 6705 1 610 . 1 1 48 48 PHE CE2 C 13 132 . . . . . . . 48 F CE . 6705 1 611 . 1 1 48 48 PHE CZ C 13 129.7 . . . . . . . 48 F CZ . 6705 1 612 . 1 1 48 48 PHE N N 15 120.7 . . . . . . . 48 F N . 6705 1 613 . 1 1 49 49 ARG H H 1 7.653 . . . . . . . 49 R HN . 6705 1 614 . 1 1 49 49 ARG HA H 1 3.728 . . . . . . . 49 R HA . 6705 1 615 . 1 1 49 49 ARG HB2 H 1 1.703 . . . . . . . 49 R HB2 . 6705 1 616 . 1 1 49 49 ARG HB3 H 1 1.623 . . . . . . . 49 R HB3 . 6705 1 617 . 1 1 49 49 ARG HG2 H 1 1.546 . . . . . . . 49 R HG2 . 6705 1 618 . 1 1 49 49 ARG HG3 H 1 1.79 . . . . . . . 49 R HG3 . 6705 1 619 . 1 1 49 49 ARG HD2 H 1 3.054 . . . . . . . 49 R QD . 6705 1 620 . 1 1 49 49 ARG HD3 H 1 3.054 . . . . . . . 49 R QD . 6705 1 621 . 1 1 49 49 ARG C C 13 180.6 . . . . . . . 49 R C . 6705 1 622 . 1 1 49 49 ARG CA C 13 61.357 . . . . . . . 49 R CA . 6705 1 623 . 1 1 49 49 ARG CB C 13 32.426 . . . . . . . 49 R CB . 6705 1 624 . 1 1 49 49 ARG CG C 13 30.477 . . . . . . . 49 R CG . 6705 1 625 . 1 1 49 49 ARG CD C 13 45.877 . . . . . . . 49 R CD . 6705 1 626 . 1 1 49 49 ARG N N 15 115.53 . . . . . . . 49 R N . 6705 1 627 . 1 1 50 50 PHE H H 1 7.303 . . . . . . . 50 F HN . 6705 1 628 . 1 1 50 50 PHE HA H 1 4.1 . . . . . . . 50 F HA . 6705 1 629 . 1 1 50 50 PHE HB2 H 1 2.886 . . . . . . . 50 F QB . 6705 1 630 . 1 1 50 50 PHE HB3 H 1 2.886 . . . . . . . 50 F QB . 6705 1 631 . 1 1 50 50 PHE HD1 H 1 7.006 . . . . . . . 50 F QD . 6705 1 632 . 1 1 50 50 PHE HD2 H 1 7.006 . . . . . . . 50 F QD . 6705 1 633 . 1 1 50 50 PHE HE1 H 1 7.028 . . . . . . . 50 F QE . 6705 1 634 . 1 1 50 50 PHE HE2 H 1 7.028 . . . . . . . 50 F QE . 6705 1 635 . 1 1 50 50 PHE HZ H 1 6.851 . . . . . . . 50 F HZ . 6705 1 636 . 1 1 50 50 PHE C C 13 179.35 . . . . . . . 50 F C . 6705 1 637 . 1 1 50 50 PHE CA C 13 61.974 . . . . . . . 50 F CA . 6705 1 638 . 1 1 50 50 PHE CB C 13 41.423 . . . . . . . 50 F CB . 6705 1 639 . 1 1 50 50 PHE CG C 13 139.01 . . . . . . . 50 F CG . 6705 1 640 . 1 1 50 50 PHE CD1 C 13 131.87 . . . . . . . 50 F CD . 6705 1 641 . 1 1 50 50 PHE CD2 C 13 131.87 . . . . . . . 50 F CD . 6705 1 642 . 1 1 50 50 PHE CE1 C 13 131.2 . . . . . . . 50 F CE . 6705 1 643 . 1 1 50 50 PHE CE2 C 13 131.2 . . . . . . . 50 F CE . 6705 1 644 . 1 1 50 50 PHE CZ C 13 129.72 . . . . . . . 50 F CZ . 6705 1 645 . 1 1 50 50 PHE N N 15 116.23 . . . . . . . 50 F N . 6705 1 646 . 1 1 51 51 ILE H H 1 7.195 . . . . . . . 51 I HN . 6705 1 647 . 1 1 51 51 ILE HA H 1 3.355 . . . . . . . 51 I HA . 6705 1 648 . 1 1 51 51 ILE HB H 1 1.287 . . . . . . . 51 I HB . 6705 1 649 . 1 1 51 51 ILE HG12 H 1 1.332 . . . . . . . 51 I QG1 . 6705 1 650 . 1 1 51 51 ILE HG13 H 1 1.332 . . . . . . . 51 I QG1 . 6705 1 651 . 1 1 51 51 ILE HG21 H 1 0.679 . . . . . . . 51 I QG2 . 6705 1 652 . 1 1 51 51 ILE HG22 H 1 0.679 . . . . . . . 51 I QG2 . 6705 1 653 . 1 1 51 51 ILE HG23 H 1 0.679 . . . . . . . 51 I QG2 . 6705 1 654 . 1 1 51 51 ILE HD11 H 1 0.321 . . . . . . . 51 I QD1 . 6705 1 655 . 1 1 51 51 ILE HD12 H 1 0.321 . . . . . . . 51 I QD1 . 6705 1 656 . 1 1 51 51 ILE HD13 H 1 0.321 . . . . . . . 51 I QD1 . 6705 1 657 . 1 1 51 51 ILE C C 13 178.73 . . . . . . . 51 I C . 6705 1 658 . 1 1 51 51 ILE CA C 13 64.463 . . . . . . . 51 I CA . 6705 1 659 . 1 1 51 51 ILE CB C 13 39.308 . . . . . . . 51 I CB . 6705 1 660 . 1 1 51 51 ILE CG1 C 13 29.859 . . . . . . . 51 I CG1 . 6705 1 661 . 1 1 51 51 ILE CG2 C 13 21.79 . . . . . . . 51 I CG2 . 6705 1 662 . 1 1 51 51 ILE CD1 C 13 15.825 . . . . . . . 51 I CD1 . 6705 1 663 . 1 1 51 51 ILE N N 15 116.98 . . . . . . . 51 I N . 6705 1 664 . 1 1 52 52 ASP H H 1 7.101 . . . . . . . 52 D HN . 6705 1 665 . 1 1 52 52 ASP HA H 1 3.936 . . . . . . . 52 D HA . 6705 1 666 . 1 1 52 52 ASP HB2 H 1 1.725 . . . . . . . 52 D HB2 . 6705 1 667 . 1 1 52 52 ASP HB3 H 1 1.25 . . . . . . . 52 D HB3 . 6705 1 668 . 1 1 52 52 ASP C C 13 178.64 . . . . . . . 52 D C . 6705 1 669 . 1 1 52 52 ASP CA C 13 54.792 . . . . . . . 52 D CA . 6705 1 670 . 1 1 52 52 ASP CB C 13 40.647 . . . . . . . 52 D CB . 6705 1 671 . 1 1 52 52 ASP CG C 13 180.5 . . . . . . . 52 D CG . 6705 1 672 . 1 1 52 52 ASP N N 15 118.78 . . . . . . . 52 D N . 6705 1 673 . 1 1 53 53 ASN H H 1 7.537 . . . . . . . 53 N HN . 6705 1 674 . 1 1 53 53 ASN HA H 1 3.828 . . . . . . . 53 N HA . 6705 1 675 . 1 1 53 53 ASN HB2 H 1 2.465 . . . . . . . 53 N HB2 . 6705 1 676 . 1 1 53 53 ASN HB3 H 1 2.621 . . . . . . . 53 N HB3 . 6705 1 677 . 1 1 53 53 ASN HD21 H 1 6.712 . . . . . . . 53 N HD21 . 6705 1 678 . 1 1 53 53 ASN HD22 H 1 7.808 . . . . . . . 53 N HD22 . 6705 1 679 . 1 1 53 53 ASN C C 13 178.22 . . . . . . . 53 N C . 6705 1 680 . 1 1 53 53 ASN CA C 13 59.277 . . . . . . . 53 N CA . 6705 1 681 . 1 1 53 53 ASN CB C 13 43.329 . . . . . . . 53 N CB . 6705 1 682 . 1 1 53 53 ASN CG C 13 177.96 . . . . . . . 53 N CG . 6705 1 683 . 1 1 53 53 ASN N N 15 125.8 . . . . . . . 53 N N . 6705 1 684 . 1 1 53 53 ASN ND2 N 15 115.14 . . . . . . . 53 N ND2 . 6705 1 685 . 1 1 54 54 ASP H H 1 7.826 . . . . . . . 54 D HN . 6705 1 686 . 1 1 54 54 ASP HA H 1 4.397 . . . . . . . 54 D HA . 6705 1 687 . 1 1 54 54 ASP HB2 H 1 2.89 . . . . . . . 54 D QB . 6705 1 688 . 1 1 54 54 ASP HB3 H 1 2.89 . . . . . . . 54 D QB . 6705 1 689 . 1 1 54 54 ASP C C 13 178.71 . . . . . . . 54 D C . 6705 1 690 . 1 1 54 54 ASP CA C 13 54.997 . . . . . . . 54 D CA . 6705 1 691 . 1 1 54 54 ASP CB C 13 42.065 . . . . . . . 54 D CB . 6705 1 692 . 1 1 54 54 ASP CG C 13 183.47 . . . . . . . 54 D CG . 6705 1 693 . 1 1 54 54 ASP N N 15 113.83 . . . . . . . 54 D N . 6705 1 694 . 1 1 55 55 GLN H H 1 7.938 . . . . . . . 55 Q HN . 6705 1 695 . 1 1 55 55 GLN HA H 1 3.577 . . . . . . . 55 Q HA . 6705 1 696 . 1 1 55 55 GLN HB2 H 1 2.038 . . . . . . . 55 Q HB2 . 6705 1 697 . 1 1 55 55 GLN HB3 H 1 1.972 . . . . . . . 55 Q HB3 . 6705 1 698 . 1 1 55 55 GLN HG2 H 1 2.098 . . . . . . . 55 Q HG2 . 6705 1 699 . 1 1 55 55 GLN HG3 H 1 2.07 . . . . . . . 55 Q HG3 . 6705 1 700 . 1 1 55 55 GLN HE21 H 1 6.532 . . . . . . . 55 Q HE21 . 6705 1 701 . 1 1 55 55 GLN HE22 H 1 7.298 . . . . . . . 55 Q HE22 . 6705 1 702 . 1 1 55 55 GLN C C 13 178.32 . . . . . . . 55 Q C . 6705 1 703 . 1 1 55 55 GLN CA C 13 59.38 . . . . . . . 55 Q CA . 6705 1 704 . 1 1 55 55 GLN CB C 13 28.445 . . . . . . . 55 Q CB . 6705 1 705 . 1 1 55 55 GLN CG C 13 36.663 . . . . . . . 55 Q CG . 6705 1 706 . 1 1 55 55 GLN CD C 13 183.54 . . . . . . . 55 Q CD . 6705 1 707 . 1 1 55 55 GLN N N 15 113.98 . . . . . . . 55 Q N . 6705 1 708 . 1 1 55 55 GLN NE2 N 15 114.44 . . . . . . . 55 Q NE . 6705 1 709 . 1 1 56 56 SER H H 1 8.26 . . . . . . . 56 S HN . 6705 1 710 . 1 1 56 56 SER HA H 1 4.062 . . . . . . . 56 S HA . 6705 1 711 . 1 1 56 56 SER HB2 H 1 3.83 . . . . . . . 56 S QB . 6705 1 712 . 1 1 56 56 SER HB3 H 1 3.83 . . . . . . . 56 S QB . 6705 1 713 . 1 1 56 56 SER C C 13 178.16 . . . . . . . 56 S C . 6705 1 714 . 1 1 56 56 SER CA C 13 61.991 . . . . . . . 56 S CA . 6705 1 715 . 1 1 56 56 SER CB C 13 67.305 . . . . . . . 56 S CB . 6705 1 716 . 1 1 56 56 SER N N 15 115.16 . . . . . . . 56 S N . 6705 1 717 . 1 1 57 57 GLY H H 1 10.661 . . . . . . . 57 G HN . 6705 1 718 . 1 1 57 57 GLY HA2 H 1 3.241 . . . . . . . 57 G HA1 . 6705 1 719 . 1 1 57 57 GLY HA3 H 1 4.065 . . . . . . . 57 G HA2 . 6705 1 720 . 1 1 57 57 GLY C C 13 174.3 . . . . . . . 57 G C . 6705 1 721 . 1 1 57 57 GLY CA C 13 47.079 . . . . . . . 57 G CA . 6705 1 722 . 1 1 57 57 GLY N N 15 115.42 . . . . . . . 57 G N . 6705 1 723 . 1 1 58 58 TYR H H 1 7.474 . . . . . . . 58 Y HN . 6705 1 724 . 1 1 58 58 TYR HA H 1 5.216 . . . . . . . 58 Y HA . 6705 1 725 . 1 1 58 58 TYR HB2 H 1 2.82 . . . . . . . 58 Y QB . 6705 1 726 . 1 1 58 58 TYR HB3 H 1 2.82 . . . . . . . 58 Y QB . 6705 1 727 . 1 1 58 58 TYR HD1 H 1 6.66 . . . . . . . 58 Y QD . 6705 1 728 . 1 1 58 58 TYR HD2 H 1 6.66 . . . . . . . 58 Y QD . 6705 1 729 . 1 1 58 58 TYR HE1 H 1 6.716 . . . . . . . 58 Y QE . 6705 1 730 . 1 1 58 58 TYR HE2 H 1 6.716 . . . . . . . 58 Y QE . 6705 1 731 . 1 1 58 58 TYR C C 13 177.21 . . . . . . . 58 Y C . 6705 1 732 . 1 1 58 58 TYR CA C 13 58.165 . . . . . . . 58 Y CA . 6705 1 733 . 1 1 58 58 TYR CB C 13 44.666 . . . . . . . 58 Y CB . 6705 1 734 . 1 1 58 58 TYR CG C 13 129.74 . . . . . . . 58 Y CG . 6705 1 735 . 1 1 58 58 TYR CD1 C 13 134.16 . . . . . . . 58 Y CD . 6705 1 736 . 1 1 58 58 TYR CD2 C 13 134.16 . . . . . . . 58 Y CD . 6705 1 737 . 1 1 58 58 TYR CE1 C 13 118.01 . . . . . . . 58 Y CE . 6705 1 738 . 1 1 58 58 TYR CE2 C 13 118.01 . . . . . . . 58 Y CE . 6705 1 739 . 1 1 58 58 TYR CZ C 13 157.79 . . . . . . . 58 Y CZ . 6705 1 740 . 1 1 58 58 TYR N N 15 113.47 . . . . . . . 58 Y N . 6705 1 741 . 1 1 59 59 LEU H H 1 9.94 . . . . . . . 59 L HN . 6705 1 742 . 1 1 59 59 LEU HA H 1 5.201 . . . . . . . 59 L HA . 6705 1 743 . 1 1 59 59 LEU HB2 H 1 1.748 . . . . . . . 59 L QB . 6705 1 744 . 1 1 59 59 LEU HB3 H 1 1.748 . . . . . . . 59 L QB . 6705 1 745 . 1 1 59 59 LEU HG H 1 1.344 . . . . . . . 59 L HG . 6705 1 746 . 1 1 59 59 LEU HD11 H 1 0.333 . . . . . . . 59 L QD1 . 6705 1 747 . 1 1 59 59 LEU HD12 H 1 0.333 . . . . . . . 59 L QD1 . 6705 1 748 . 1 1 59 59 LEU HD13 H 1 0.333 . . . . . . . 59 L QD1 . 6705 1 749 . 1 1 59 59 LEU HD21 H 1 -0.216 . . . . . . . 59 L QD2 . 6705 1 750 . 1 1 59 59 LEU HD22 H 1 -0.216 . . . . . . . 59 L QD2 . 6705 1 751 . 1 1 59 59 LEU HD23 H 1 -0.216 . . . . . . . 59 L QD2 . 6705 1 752 . 1 1 59 59 LEU C C 13 178.53 . . . . . . . 59 L C . 6705 1 753 . 1 1 59 59 LEU CA C 13 55.318 . . . . . . . 59 L CA . 6705 1 754 . 1 1 59 59 LEU CB C 13 43.931 . . . . . . . 59 L CB . 6705 1 755 . 1 1 59 59 LEU CG C 13 28.323 . . . . . . . 59 L CG . 6705 1 756 . 1 1 59 59 LEU CD1 C 13 27.009 . . . . . . . 59 L CD1 . 6705 1 757 . 1 1 59 59 LEU CD2 C 13 23.552 . . . . . . . 59 L CD2 . 6705 1 758 . 1 1 59 59 LEU N N 15 124.51 . . . . . . . 59 L N . 6705 1 759 . 1 1 60 60 ASP H H 1 8.14 . . . . . . . 60 D HN . 6705 1 760 . 1 1 60 60 ASP HA H 1 4.807 . . . . . . . 60 D HA . 6705 1 761 . 1 1 60 60 ASP HB2 H 1 2.392 . . . . . . . 60 D HB2 . 6705 1 762 . 1 1 60 60 ASP HB3 H 1 3.017 . . . . . . . 60 D HB3 . 6705 1 763 . 1 1 60 60 ASP C C 13 178.33 . . . . . . . 60 D C . 6705 1 764 . 1 1 60 60 ASP CA C 13 53.802 . . . . . . . 60 D CA . 6705 1 765 . 1 1 60 60 ASP CB C 13 45.931 . . . . . . . 60 D CB . 6705 1 766 . 1 1 60 60 ASP CG C 13 181.33 . . . . . . . 60 D CG . 6705 1 767 . 1 1 60 60 ASP N N 15 123.19 . . . . . . . 60 D N . 6705 1 768 . 1 1 61 61 GLU H H 1 8.733 . . . . . . . 61 E HN . 6705 1 769 . 1 1 61 61 GLU HA H 1 3.478 . . . . . . . 61 E HA . 6705 1 770 . 1 1 61 61 GLU HB2 H 1 1.843 . . . . . . . 61 E QB . 6705 1 771 . 1 1 61 61 GLU HB3 H 1 1.843 . . . . . . . 61 E QB . 6705 1 772 . 1 1 61 61 GLU HG2 H 1 2.018 . . . . . . . 61 E HG2 . 6705 1 773 . 1 1 61 61 GLU HG3 H 1 2.097 . . . . . . . 61 E HG3 . 6705 1 774 . 1 1 61 61 GLU C C 13 180.74 . . . . . . . 61 E C . 6705 1 775 . 1 1 61 61 GLU CA C 13 63.51 . . . . . . . 61 E CA . 6705 1 776 . 1 1 61 61 GLU CB C 13 32.084 . . . . . . . 61 E CB . 6705 1 777 . 1 1 61 61 GLU CG C 13 40.174 . . . . . . . 61 E CG . 6705 1 778 . 1 1 61 61 GLU CD C 13 185.38 . . . . . . . 61 E CD . 6705 1 779 . 1 1 61 61 GLU N N 15 117.78 . . . . . . . 61 E N . 6705 1 780 . 1 1 62 62 GLU H H 1 8.013 . . . . . . . 62 E HN . 6705 1 781 . 1 1 62 62 GLU HA H 1 3.783 . . . . . . . 62 E HA . 6705 1 782 . 1 1 62 62 GLU HB2 H 1 1.961 . . . . . . . 62 E HB2 . 6705 1 783 . 1 1 62 62 GLU HB3 H 1 1.915 . . . . . . . 62 E HB3 . 6705 1 784 . 1 1 62 62 GLU HG2 H 1 2.142 . . . . . . . 62 E QG . 6705 1 785 . 1 1 62 62 GLU HG3 H 1 2.142 . . . . . . . 62 E QG . 6705 1 786 . 1 1 62 62 GLU C C 13 180.7 . . . . . . . 62 E C . 6705 1 787 . 1 1 62 62 GLU CA C 13 61.927 . . . . . . . 62 E CA . 6705 1 788 . 1 1 62 62 GLU CB C 13 31.474 . . . . . . . 62 E CB . 6705 1 789 . 1 1 62 62 GLU CG C 13 38.485 . . . . . . . 62 E CG . 6705 1 790 . 1 1 62 62 GLU CD C 13 185.84 . . . . . . . 62 E CD . 6705 1 791 . 1 1 62 62 GLU N N 15 119.98 . . . . . . . 62 E N . 6705 1 792 . 1 1 63 63 GLU H H 1 7.965 . . . . . . . 63 E HN . 6705 1 793 . 1 1 63 63 GLU HA H 1 3.988 . . . . . . . 63 E HA . 6705 1 794 . 1 1 63 63 GLU HB2 H 1 1.914 . . . . . . . 63 E QB . 6705 1 795 . 1 1 63 63 GLU HB3 H 1 1.914 . . . . . . . 63 E QB . 6705 1 796 . 1 1 63 63 GLU HG2 H 1 2.192 . . . . . . . 63 E QG . 6705 1 797 . 1 1 63 63 GLU HG3 H 1 2.192 . . . . . . . 63 E QG . 6705 1 798 . 1 1 63 63 GLU C C 13 183.52 . . . . . . . 63 E C . 6705 1 799 . 1 1 63 63 GLU CA C 13 60.842 . . . . . . . 63 E CA . 6705 1 800 . 1 1 63 63 GLU CB C 13 31.614 . . . . . . . 63 E CB . 6705 1 801 . 1 1 63 63 GLU CG C 13 40.092 . . . . . . . 63 E CG . 6705 1 802 . 1 1 63 63 GLU CD C 13 189.46 . . . . . . . 63 E CD . 6705 1 803 . 1 1 63 63 GLU N N 15 117.19 . . . . . . . 63 E N . 6705 1 804 . 1 1 64 64 LEU H H 1 7.867 . . . . . . . 64 L HN . 6705 1 805 . 1 1 64 64 LEU HA H 1 3.901 . . . . . . . 64 L HA . 6705 1 806 . 1 1 64 64 LEU HB2 H 1 1.523 . . . . . . . 64 L HB2 . 6705 1 807 . 1 1 64 64 LEU HB3 H 1 1.475 . . . . . . . 64 L HB3 . 6705 1 808 . 1 1 64 64 LEU HG H 1 1.367 . . . . . . . 64 L HG . 6705 1 809 . 1 1 64 64 LEU HD11 H 1 0.359 . . . . . . . 64 L QD1 . 6705 1 810 . 1 1 64 64 LEU HD12 H 1 0.359 . . . . . . . 64 L QD1 . 6705 1 811 . 1 1 64 64 LEU HD13 H 1 0.359 . . . . . . . 64 L QD1 . 6705 1 812 . 1 1 64 64 LEU HD21 H 1 0.51 . . . . . . . 64 L QD2 . 6705 1 813 . 1 1 64 64 LEU HD22 H 1 0.51 . . . . . . . 64 L QD2 . 6705 1 814 . 1 1 64 64 LEU HD23 H 1 0.51 . . . . . . . 64 L QD2 . 6705 1 815 . 1 1 64 64 LEU C C 13 179.69 . . . . . . . 64 L C . 6705 1 816 . 1 1 64 64 LEU CA C 13 60.67 . . . . . . . 64 L CA . 6705 1 817 . 1 1 64 64 LEU CB C 13 44.937 . . . . . . . 64 L CB . 6705 1 818 . 1 1 64 64 LEU CG C 13 29.742 . . . . . . . 64 L CG . 6705 1 819 . 1 1 64 64 LEU CD1 C 13 27.929 . . . . . . . 64 L CD1 . 6705 1 820 . 1 1 64 64 LEU CD2 C 13 26.82 . . . . . . . 64 L CD2 . 6705 1 821 . 1 1 64 64 LEU N N 15 117.16 . . . . . . . 64 L N . 6705 1 822 . 1 1 65 65 LYS H H 1 7.041 . . . . . . . 65 K HN . 6705 1 823 . 1 1 65 65 LYS HA H 1 3.499 . . . . . . . 65 K HA . 6705 1 824 . 1 1 65 65 LYS HB2 H 1 1.198 . . . . . . . 65 K HB2 . 6705 1 825 . 1 1 65 65 LYS HB3 H 1 1.334 . . . . . . . 65 K HB3 . 6705 1 826 . 1 1 65 65 LYS HG2 H 1 0.51 . . . . . . . 65 K HG2 . 6705 1 827 . 1 1 65 65 LYS HG3 H 1 1.08 . . . . . . . 65 K HG3 . 6705 1 828 . 1 1 65 65 LYS HD2 H 1 1.296 . . . . . . . 65 K QD . 6705 1 829 . 1 1 65 65 LYS HD3 H 1 1.296 . . . . . . . 65 K QD . 6705 1 830 . 1 1 65 65 LYS HE2 H 1 2.485 . . . . . . . 65 K HE2 . 6705 1 831 . 1 1 65 65 LYS HE3 H 1 2.53 . . . . . . . 65 K HE3 . 6705 1 832 . 1 1 65 65 LYS C C 13 181.09 . . . . . . . 65 K C . 6705 1 833 . 1 1 65 65 LYS CA C 13 62.14 . . . . . . . 65 K CA . 6705 1 834 . 1 1 65 65 LYS CB C 13 33.983 . . . . . . . 65 K CB . 6705 1 835 . 1 1 65 65 LYS CG C 13 26.666 . . . . . . . 65 K CG . 6705 1 836 . 1 1 65 65 LYS CD C 13 31.64 . . . . . . . 65 K CD . 6705 1 837 . 1 1 65 65 LYS CE C 13 44.147 . . . . . . . 65 K CE . 6705 1 838 . 1 1 65 65 LYS N N 15 120.99 . . . . . . . 65 K N . 6705 1 839 . 1 1 66 66 PHE H H 1 6.764 . . . . . . . 66 F HN . 6705 1 840 . 1 1 66 66 PHE HA H 1 4.447 . . . . . . . 66 F HA . 6705 1 841 . 1 1 66 66 PHE HB2 H 1 3.43 . . . . . . . 66 F HB2 . 6705 1 842 . 1 1 66 66 PHE HB3 H 1 2.515 . . . . . . . 66 F HB3 . 6705 1 843 . 1 1 66 66 PHE HD1 H 1 7.115 . . . . . . . 66 F QD . 6705 1 844 . 1 1 66 66 PHE HD2 H 1 7.115 . . . . . . . 66 F QD . 6705 1 845 . 1 1 66 66 PHE HE1 H 1 7.211 . . . . . . . 66 F QE . 6705 1 846 . 1 1 66 66 PHE HE2 H 1 7.211 . . . . . . . 66 F QE . 6705 1 847 . 1 1 66 66 PHE HZ H 1 7.165 . . . . . . . 66 F HZ . 6705 1 848 . 1 1 66 66 PHE C C 13 177.39 . . . . . . . 66 F C . 6705 1 849 . 1 1 66 66 PHE CA C 13 59.501 . . . . . . . 66 F CA . 6705 1 850 . 1 1 66 66 PHE CB C 13 40.948 . . . . . . . 66 F CB . 6705 1 851 . 1 1 66 66 PHE CG C 13 139.33 . . . . . . . 66 F CG . 6705 1 852 . 1 1 66 66 PHE CD1 C 13 129.85 . . . . . . . 66 F CD . 6705 1 853 . 1 1 66 66 PHE CD2 C 13 129.85 . . . . . . . 66 F CD . 6705 1 854 . 1 1 66 66 PHE CE1 C 13 131.78 . . . . . . . 66 F CE . 6705 1 855 . 1 1 66 66 PHE CE2 C 13 131.78 . . . . . . . 66 F CE . 6705 1 856 . 1 1 66 66 PHE CZ C 13 130.46 . . . . . . . 66 F CZ . 6705 1 857 . 1 1 66 66 PHE N N 15 115.68 . . . . . . . 66 F N . 6705 1 858 . 1 1 67 67 PHE H H 1 7.44 . . . . . . . 67 F HN . 6705 1 859 . 1 1 67 67 PHE HA H 1 3.72 . . . . . . . 67 F HA . 6705 1 860 . 1 1 67 67 PHE HB2 H 1 2.407 . . . . . . . 67 F HB2 . 6705 1 861 . 1 1 67 67 PHE HB3 H 1 3.334 . . . . . . . 67 F HB3 . 6705 1 862 . 1 1 67 67 PHE HD1 H 1 6.625 . . . . . . . 67 F QD . 6705 1 863 . 1 1 67 67 PHE HD2 H 1 6.625 . . . . . . . 67 F QD . 6705 1 864 . 1 1 67 67 PHE HE1 H 1 6.746 . . . . . . . 67 F QE . 6705 1 865 . 1 1 67 67 PHE HE2 H 1 6.746 . . . . . . . 67 F QE . 6705 1 866 . 1 1 67 67 PHE HZ H 1 7.17 . . . . . . . 67 F HZ . 6705 1 867 . 1 1 67 67 PHE C C 13 178.94 . . . . . . . 67 F C . 6705 1 868 . 1 1 67 67 PHE CA C 13 65.327 . . . . . . . 67 F CA . 6705 1 869 . 1 1 67 67 PHE CB C 13 44.582 . . . . . . . 67 F CB . 6705 1 870 . 1 1 67 67 PHE CG C 13 139.32 . . . . . . . 67 F CG . 6705 1 871 . 1 1 67 67 PHE CD1 C 13 131.93 . . . . . . . 67 F CD . 6705 1 872 . 1 1 67 67 PHE CD2 C 13 131.93 . . . . . . . 67 F CD . 6705 1 873 . 1 1 67 67 PHE CE1 C 13 130.55 . . . . . . . 67 F CE . 6705 1 874 . 1 1 67 67 PHE CE2 C 13 130.55 . . . . . . . 67 F CE . 6705 1 875 . 1 1 67 67 PHE CZ C 13 128.14 . . . . . . . 67 F CZ . 6705 1 876 . 1 1 67 67 PHE N N 15 119.64 . . . . . . . 67 F N . 6705 1 877 . 1 1 68 68 LEU H H 1 8.449 . . . . . . . 68 L HN . 6705 1 878 . 1 1 68 68 LEU HA H 1 3.733 . . . . . . . 68 L HA . 6705 1 879 . 1 1 68 68 LEU HB2 H 1 1.83 . . . . . . . 68 L HB2 . 6705 1 880 . 1 1 68 68 LEU HB3 H 1 1.107 . . . . . . . 68 L HB3 . 6705 1 881 . 1 1 68 68 LEU HG H 1 0.64 . . . . . . . 68 L HG . 6705 1 882 . 1 1 68 68 LEU HD11 H 1 0.56 . . . . . . . 68 L QD1 . 6705 1 883 . 1 1 68 68 LEU HD12 H 1 0.56 . . . . . . . 68 L QD1 . 6705 1 884 . 1 1 68 68 LEU HD13 H 1 0.56 . . . . . . . 68 L QD1 . 6705 1 885 . 1 1 68 68 LEU HD21 H 1 1.158 . . . . . . . 68 L QD2 . 6705 1 886 . 1 1 68 68 LEU HD22 H 1 1.158 . . . . . . . 68 L QD2 . 6705 1 887 . 1 1 68 68 LEU HD23 H 1 1.158 . . . . . . . 68 L QD2 . 6705 1 888 . 1 1 68 68 LEU C C 13 182.73 . . . . . . . 68 L C . 6705 1 889 . 1 1 68 68 LEU CA C 13 59.85 . . . . . . . 68 L CA . 6705 1 890 . 1 1 68 68 LEU CB C 13 43.322 . . . . . . . 68 L CB . 6705 1 891 . 1 1 68 68 LEU CG C 13 28.612 . . . . . . . 68 L CG . 6705 1 892 . 1 1 68 68 LEU CD1 C 13 27.826 . . . . . . . 68 L CD1 . 6705 1 893 . 1 1 68 68 LEU CD2 C 13 24.529 . . . . . . . 68 L CD2 . 6705 1 894 . 1 1 68 68 LEU N N 15 112.11 . . . . . . . 68 L N . 6705 1 895 . 1 1 69 69 GLN H H 1 7.159 . . . . . . . 69 Q HN . 6705 1 896 . 1 1 69 69 GLN HA H 1 4.452 . . . . . . . 69 Q HA . 6705 1 897 . 1 1 69 69 GLN HB2 H 1 1.958 . . . . . . . 69 Q QB . 6705 1 898 . 1 1 69 69 GLN HB3 H 1 1.958 . . . . . . . 69 Q QB . 6705 1 899 . 1 1 69 69 GLN HG2 H 1 1.886 . . . . . . . 69 Q HG2 . 6705 1 900 . 1 1 69 69 GLN HG3 H 1 1.782 . . . . . . . 69 Q HG3 . 6705 1 901 . 1 1 69 69 GLN HE21 H 1 6.929 . . . . . . . 69 Q HE21 . 6705 1 902 . 1 1 69 69 GLN HE22 H 1 7.068 . . . . . . . 69 Q HE22 . 6705 1 903 . 1 1 69 69 GLN C C 13 180.22 . . . . . . . 69 Q C . 6705 1 904 . 1 1 69 69 GLN CA C 13 58.784 . . . . . . . 69 Q CA . 6705 1 905 . 1 1 69 69 GLN CB C 13 29.526 . . . . . . . 69 Q CB . 6705 1 906 . 1 1 69 69 GLN CG C 13 36.997 . . . . . . . 69 Q CG . 6705 1 907 . 1 1 69 69 GLN CD C 13 182.38 . . . . . . . 69 Q CD . 6705 1 908 . 1 1 69 69 GLN N N 15 116.23 . . . . . . . 69 Q N . 6705 1 909 . 1 1 69 69 GLN NE2 N 15 107.86 . . . . . . . 69 Q NE . 6705 1 910 . 1 1 70 70 LYS H H 1 7.161 . . . . . . . 70 K HN . 6705 1 911 . 1 1 70 70 LYS HA H 1 3.782 . . . . . . . 70 K HA . 6705 1 912 . 1 1 70 70 LYS HB2 H 1 1.459 . . . . . . . 70 K HB2 . 6705 1 913 . 1 1 70 70 LYS HB3 H 1 1.054 . . . . . . . 70 K HB3 . 6705 1 914 . 1 1 70 70 LYS HG2 H 1 1.043 . . . . . . . 70 K HG2 . 6705 1 915 . 1 1 70 70 LYS HG3 H 1 1.351 . . . . . . . 70 K HG3 . 6705 1 916 . 1 1 70 70 LYS HD2 H 1 0.976 . . . . . . . 70 K HD2 . 6705 1 917 . 1 1 70 70 LYS HD3 H 1 1.187 . . . . . . . 70 K HD3 . 6705 1 918 . 1 1 70 70 LYS HE2 H 1 2.612 . . . . . . . 70 K HE2 . 6705 1 919 . 1 1 70 70 LYS HE3 H 1 2.716 . . . . . . . 70 K HE3 . 6705 1 920 . 1 1 70 70 LYS C C 13 178.49 . . . . . . . 70 K C . 6705 1 921 . 1 1 70 70 LYS CA C 13 57.552 . . . . . . . 70 K CA . 6705 1 922 . 1 1 70 70 LYS CB C 13 32.556 . . . . . . . 70 K CB . 6705 1 923 . 1 1 70 70 LYS CG C 13 26.288 . . . . . . . 70 K CG . 6705 1 924 . 1 1 70 70 LYS CD C 13 29.596 . . . . . . . 70 K CD . 6705 1 925 . 1 1 70 70 LYS CE C 13 44.937 . . . . . . . 70 K CE . 6705 1 926 . 1 1 70 70 LYS N N 15 115.72 . . . . . . . 70 K N . 6705 1 927 . 1 1 71 71 PHE H H 1 7.465 . . . . . . . 71 F HN . 6705 1 928 . 1 1 71 71 PHE HA H 1 4.032 . . . . . . . 71 F HA . 6705 1 929 . 1 1 71 71 PHE HB2 H 1 3.097 . . . . . . . 71 F QB . 6705 1 930 . 1 1 71 71 PHE HB3 H 1 3.097 . . . . . . . 71 F QB . 6705 1 931 . 1 1 71 71 PHE HD1 H 1 7.143 . . . . . . . 71 F QD . 6705 1 932 . 1 1 71 71 PHE HD2 H 1 7.143 . . . . . . . 71 F QD . 6705 1 933 . 1 1 71 71 PHE HE1 H 1 6.376 . . . . . . . 71 F QE . 6705 1 934 . 1 1 71 71 PHE HE2 H 1 6.376 . . . . . . . 71 F QE . 6705 1 935 . 1 1 71 71 PHE HZ H 1 6.767 . . . . . . . 71 F HZ . 6705 1 936 . 1 1 71 71 PHE C C 13 177.76 . . . . . . . 71 F C . 6705 1 937 . 1 1 71 71 PHE CA C 13 62.39 . . . . . . . 71 F CA . 6705 1 938 . 1 1 71 71 PHE CB C 13 41.082 . . . . . . . 71 F CB . 6705 1 939 . 1 1 71 71 PHE CG C 13 139.79 . . . . . . . 71 F CG . 6705 1 940 . 1 1 71 71 PHE CD1 C 13 132.15 . . . . . . . 71 F CD . 6705 1 941 . 1 1 71 71 PHE CD2 C 13 132.15 . . . . . . . 71 F CD . 6705 1 942 . 1 1 71 71 PHE CE1 C 13 131.24 . . . . . . . 71 F CE . 6705 1 943 . 1 1 71 71 PHE CE2 C 13 131.24 . . . . . . . 71 F CE . 6705 1 944 . 1 1 71 71 PHE CZ C 13 128.14 . . . . . . . 71 F CZ . 6705 1 945 . 1 1 71 71 PHE N N 15 116.98 . . . . . . . 71 F N . 6705 1 946 . 1 1 72 72 GLU H H 1 7.489 . . . . . . . 72 E HN . 6705 1 947 . 1 1 72 72 GLU HA H 1 4.099 . . . . . . . 72 E HA . 6705 1 948 . 1 1 72 72 GLU HB2 H 1 1.608 . . . . . . . 72 E HB2 . 6705 1 949 . 1 1 72 72 GLU HB3 H 1 1.787 . . . . . . . 72 E HB3 . 6705 1 950 . 1 1 72 72 GLU HG2 H 1 2.06 . . . . . . . 72 E QG . 6705 1 951 . 1 1 72 72 GLU HG3 H 1 2.06 . . . . . . . 72 E QG . 6705 1 952 . 1 1 72 72 GLU C C 13 178.25 . . . . . . . 72 E C . 6705 1 953 . 1 1 72 72 GLU CA C 13 59.766 . . . . . . . 72 E CA . 6705 1 954 . 1 1 72 72 GLU CB C 13 35.647 . . . . . . . 72 E CB . 6705 1 955 . 1 1 72 72 GLU CG C 13 39.37 . . . . . . . 72 E CG . 6705 1 956 . 1 1 72 72 GLU CD C 13 186.13 . . . . . . . 72 E CD . 6705 1 957 . 1 1 72 72 GLU N N 15 119.67 . . . . . . . 72 E N . 6705 1 958 . 1 1 73 73 SER H H 1 8.502 . . . . . . . 73 S HN . 6705 1 959 . 1 1 73 73 SER HA H 1 4.177 . . . . . . . 73 S HA . 6705 1 960 . 1 1 73 73 SER HB2 H 1 3.671 . . . . . . . 73 S QB . 6705 1 961 . 1 1 73 73 SER HB3 H 1 3.671 . . . . . . . 73 S QB . 6705 1 962 . 1 1 73 73 SER C C 13 177.81 . . . . . . . 73 S C . 6705 1 963 . 1 1 73 73 SER CA C 13 63.9 . . . . . . . 73 S CA . 6705 1 964 . 1 1 73 73 SER CB C 13 65.336 . . . . . . . 73 S CB . 6705 1 965 . 1 1 73 73 SER N N 15 121.78 . . . . . . . 73 S N . 6705 1 966 . 1 1 74 74 GLY H H 1 8.607 . . . . . . . 74 G HN . 6705 1 967 . 1 1 74 74 GLY HA2 H 1 3.596 . . . . . . . 74 G HA1 . 6705 1 968 . 1 1 74 74 GLY HA3 H 1 3.966 . . . . . . . 74 G HA2 . 6705 1 969 . 1 1 74 74 GLY C C 13 176.78 . . . . . . . 74 G C . 6705 1 970 . 1 1 74 74 GLY CA C 13 47.368 . . . . . . . 74 G CA . 6705 1 971 . 1 1 74 74 GLY N N 15 110.42 . . . . . . . 74 G N . 6705 1 972 . 1 1 75 75 ALA H H 1 7.566 . . . . . . . 75 A HN . 6705 1 973 . 1 1 75 75 ALA HA H 1 4.129 . . . . . . . 75 A HA . 6705 1 974 . 1 1 75 75 ALA HB1 H 1 1.255 . . . . . . . 75 A QB . 6705 1 975 . 1 1 75 75 ALA HB2 H 1 1.255 . . . . . . . 75 A QB . 6705 1 976 . 1 1 75 75 ALA HB3 H 1 1.255 . . . . . . . 75 A QB . 6705 1 977 . 1 1 75 75 ALA C C 13 178.55 . . . . . . . 75 A C . 6705 1 978 . 1 1 75 75 ALA CA C 13 54.26 . . . . . . . 75 A CA . 6705 1 979 . 1 1 75 75 ALA CB C 13 23.505 . . . . . . . 75 A CB . 6705 1 980 . 1 1 75 75 ALA N N 15 122.42 . . . . . . . 75 A N . 6705 1 981 . 1 1 76 76 ARG H H 1 8.071 . . . . . . . 76 R HN . 6705 1 982 . 1 1 76 76 ARG HA H 1 4.299 . . . . . . . 76 R HA . 6705 1 983 . 1 1 76 76 ARG HB2 H 1 1.66 . . . . . . . 76 R HB2 . 6705 1 984 . 1 1 76 76 ARG HB3 H 1 1.721 . . . . . . . 76 R HB3 . 6705 1 985 . 1 1 76 76 ARG HG2 H 1 1.05 . . . . . . . 76 R QG . 6705 1 986 . 1 1 76 76 ARG HG3 H 1 1.05 . . . . . . . 76 R QG . 6705 1 987 . 1 1 76 76 ARG HD2 H 1 2.827 . . . . . . . 76 R HD2 . 6705 1 988 . 1 1 76 76 ARG HD3 H 1 3.126 . . . . . . . 76 R HD3 . 6705 1 989 . 1 1 76 76 ARG HE H 1 6.391 . . . . . . . 76 R HE . 6705 1 990 . 1 1 76 76 ARG HH11 H 1 6.058 . . . . . . . 76 R HH11 . 6705 1 991 . 1 1 76 76 ARG HH12 H 1 10.727 . . . . . . . 76 R HH12 . 6705 1 992 . 1 1 76 76 ARG HH21 H 1 6.187 . . . . . . . 76 R HH21 . 6705 1 993 . 1 1 76 76 ARG HH22 H 1 9.18 . . . . . . . 76 R HH22 . 6705 1 994 . 1 1 76 76 ARG C C 13 178.54 . . . . . . . 76 R C . 6705 1 995 . 1 1 76 76 ARG CA C 13 57.209 . . . . . . . 76 R CA . 6705 1 996 . 1 1 76 76 ARG CB C 13 32.65 . . . . . . . 76 R CB . 6705 1 997 . 1 1 76 76 ARG CG C 13 29.443 . . . . . . . 76 R CG . 6705 1 998 . 1 1 76 76 ARG CD C 13 45.32 . . . . . . . 76 R CD . 6705 1 999 . 1 1 76 76 ARG N N 15 116.69 . . . . . . . 76 R N . 6705 1 1000 . 1 1 76 76 ARG NE N 15 84.38 . . . . . . . 76 R NE . 6705 1 1001 . 1 1 76 76 ARG NH1 N 15 73.792 . . . . . . . 76 R NH1 . 6705 1 1002 . 1 1 76 76 ARG NH2 N 15 73.894 . . . . . . . 76 R NH2 . 6705 1 1003 . 1 1 77 77 GLU H H 1 8.132 . . . . . . . 77 E HN . 6705 1 1004 . 1 1 77 77 GLU HA H 1 3.956 . . . . . . . 77 E HA . 6705 1 1005 . 1 1 77 77 GLU HB2 H 1 1.513 . . . . . . . 77 E HB2 . 6705 1 1006 . 1 1 77 77 GLU HB3 H 1 1.711 . . . . . . . 77 E HB3 . 6705 1 1007 . 1 1 77 77 GLU HG2 H 1 1.865 . . . . . . . 77 E HG2 . 6705 1 1008 . 1 1 77 77 GLU HG3 H 1 2.191 . . . . . . . 77 E HG3 . 6705 1 1009 . 1 1 77 77 GLU C C 13 181.15 . . . . . . . 77 E C . 6705 1 1010 . 1 1 77 77 GLU CA C 13 58.77 . . . . . . . 77 E CA . 6705 1 1011 . 1 1 77 77 GLU CB C 13 33.267 . . . . . . . 77 E CB . 6705 1 1012 . 1 1 77 77 GLU CG C 13 39.144 . . . . . . . 77 E CG . 6705 1 1013 . 1 1 77 77 GLU CD C 13 184.93 . . . . . . . 77 E CD . 6705 1 1014 . 1 1 77 77 GLU N N 15 116.93 . . . . . . . 77 E N . 6705 1 1015 . 1 1 78 78 LEU H H 1 8.24 . . . . . . . 78 L HN . 6705 1 1016 . 1 1 78 78 LEU HA H 1 4.336 . . . . . . . 78 L HA . 6705 1 1017 . 1 1 78 78 LEU HB2 H 1 1.228 . . . . . . . 78 L HB2 . 6705 1 1018 . 1 1 78 78 LEU HB3 H 1 1.543 . . . . . . . 78 L HB3 . 6705 1 1019 . 1 1 78 78 LEU HG H 1 1.256 . . . . . . . 78 L HG . 6705 1 1020 . 1 1 78 78 LEU HD11 H 1 -0.01 . . . . . . . 78 L QD1 . 6705 1 1021 . 1 1 78 78 LEU HD12 H 1 -0.01 . . . . . . . 78 L QD1 . 6705 1 1022 . 1 1 78 78 LEU HD13 H 1 -0.01 . . . . . . . 78 L QD1 . 6705 1 1023 . 1 1 78 78 LEU HD21 H 1 0.054 . . . . . . . 78 L QD2 . 6705 1 1024 . 1 1 78 78 LEU HD22 H 1 0.054 . . . . . . . 78 L QD2 . 6705 1 1025 . 1 1 78 78 LEU HD23 H 1 0.054 . . . . . . . 78 L QD2 . 6705 1 1026 . 1 1 78 78 LEU C C 13 180.64 . . . . . . . 78 L C . 6705 1 1027 . 1 1 78 78 LEU CA C 13 57.135 . . . . . . . 78 L CA . 6705 1 1028 . 1 1 78 78 LEU CB C 13 44.592 . . . . . . . 78 L CB . 6705 1 1029 . 1 1 78 78 LEU CG C 13 29.438 . . . . . . . 78 L CG . 6705 1 1030 . 1 1 78 78 LEU CD1 C 13 24.749 . . . . . . . 78 L CD1 . 6705 1 1031 . 1 1 78 78 LEU CD2 C 13 28.154 . . . . . . . 78 L CD2 . 6705 1 1032 . 1 1 78 78 LEU N N 15 122.04 . . . . . . . 78 L N . 6705 1 1033 . 1 1 79 79 THR H H 1 9.675 . . . . . . . 79 T HN . 6705 1 1034 . 1 1 79 79 THR HA H 1 4.149 . . . . . . . 79 T HA . 6705 1 1035 . 1 1 79 79 THR HB H 1 4.646 . . . . . . . 79 T HB . 6705 1 1036 . 1 1 79 79 THR HG21 H 1 0.548 . . . . . . . 79 T QG2 . 6705 1 1037 . 1 1 79 79 THR HG22 H 1 0.548 . . . . . . . 79 T QG2 . 6705 1 1038 . 1 1 79 79 THR HG23 H 1 0.548 . . . . . . . 79 T QG2 . 6705 1 1039 . 1 1 79 79 THR C C 13 178.26 . . . . . . . 79 T C . 6705 1 1040 . 1 1 79 79 THR CA C 13 62.804 . . . . . . . 79 T CA . 6705 1 1041 . 1 1 79 79 THR CB C 13 73.402 . . . . . . . 79 T CB . 6705 1 1042 . 1 1 79 79 THR CG2 C 13 24.302 . . . . . . . 79 T CG2 . 6705 1 1043 . 1 1 79 79 THR N N 15 114.05 . . . . . . . 79 T N . 6705 1 1044 . 1 1 80 80 GLU H H 1 8.911 . . . . . . . 80 E HN . 6705 1 1045 . 1 1 80 80 GLU HA H 1 3.961 . . . . . . . 80 E HA . 6705 1 1046 . 1 1 80 80 GLU HB2 H 1 1.836 . . . . . . . 80 E QB . 6705 1 1047 . 1 1 80 80 GLU HB3 H 1 1.836 . . . . . . . 80 E QB . 6705 1 1048 . 1 1 80 80 GLU HG2 H 1 2.065 . . . . . . . 80 E QG . 6705 1 1049 . 1 1 80 80 GLU HG3 H 1 2.065 . . . . . . . 80 E QG . 6705 1 1050 . 1 1 80 80 GLU C C 13 181.27 . . . . . . . 80 E C . 6705 1 1051 . 1 1 80 80 GLU CA C 13 62.142 . . . . . . . 80 E CA . 6705 1 1052 . 1 1 80 80 GLU CB C 13 31.623 . . . . . . . 80 E CB . 6705 1 1053 . 1 1 80 80 GLU CG C 13 38.874 . . . . . . . 80 E CG . 6705 1 1054 . 1 1 80 80 GLU CD C 13 186.27 . . . . . . . 80 E CD . 6705 1 1055 . 1 1 80 80 GLU N N 15 121.81 . . . . . . . 80 E N . 6705 1 1056 . 1 1 81 81 SER H H 1 8.296 . . . . . . . 81 S HN . 6705 1 1057 . 1 1 81 81 SER HA H 1 4.016 . . . . . . . 81 S HA . 6705 1 1058 . 1 1 81 81 SER HB2 H 1 3.769 . . . . . . . 81 S HB2 . 6705 1 1059 . 1 1 81 81 SER HB3 H 1 3.712 . . . . . . . 81 S HB3 . 6705 1 1060 . 1 1 81 81 SER C C 13 179.44 . . . . . . . 81 S C . 6705 1 1061 . 1 1 81 81 SER CA C 13 64.077 . . . . . . . 81 S CA . 6705 1 1062 . 1 1 81 81 SER CB C 13 64.737 . . . . . . . 81 S CB . 6705 1 1063 . 1 1 81 81 SER N N 15 114 . . . . . . . 81 S N . 6705 1 1064 . 1 1 82 82 GLU H H 1 7.699 . . . . . . . 82 E HN . 6705 1 1065 . 1 1 82 82 GLU HA H 1 3.894 . . . . . . . 82 E HA . 6705 1 1066 . 1 1 82 82 GLU HB2 H 1 1.986 . . . . . . . 82 E HB2 . 6705 1 1067 . 1 1 82 82 GLU HB3 H 1 1.802 . . . . . . . 82 E HB3 . 6705 1 1068 . 1 1 82 82 GLU HG2 H 1 2.327 . . . . . . . 82 E QG . 6705 1 1069 . 1 1 82 82 GLU HG3 H 1 2.327 . . . . . . . 82 E QG . 6705 1 1070 . 1 1 82 82 GLU C C 13 182.17 . . . . . . . 82 E C . 6705 1 1071 . 1 1 82 82 GLU CA C 13 61.212 . . . . . . . 82 E CA . 6705 1 1072 . 1 1 82 82 GLU CB C 13 33.278 . . . . . . . 82 E CB . 6705 1 1073 . 1 1 82 82 GLU CG C 13 40.602 . . . . . . . 82 E CG . 6705 1 1074 . 1 1 82 82 GLU CD C 13 185.5 . . . . . . . 82 E CD . 6705 1 1075 . 1 1 82 82 GLU N N 15 125.04 . . . . . . . 82 E N . 6705 1 1076 . 1 1 83 83 THR H H 1 8.709 . . . . . . . 83 T HN . 6705 1 1077 . 1 1 83 83 THR HA H 1 3.462 . . . . . . . 83 T HA . 6705 1 1078 . 1 1 83 83 THR HB H 1 3.997 . . . . . . . 83 T HB . 6705 1 1079 . 1 1 83 83 THR HG21 H 1 -0.107 . . . . . . . 83 T QG2 . 6705 1 1080 . 1 1 83 83 THR HG22 H 1 -0.107 . . . . . . . 83 T QG2 . 6705 1 1081 . 1 1 83 83 THR HG23 H 1 -0.107 . . . . . . . 83 T QG2 . 6705 1 1082 . 1 1 83 83 THR C C 13 179.32 . . . . . . . 83 T C . 6705 1 1083 . 1 1 83 83 THR CA C 13 69.571 . . . . . . . 83 T CA . 6705 1 1084 . 1 1 83 83 THR CB C 13 70.192 . . . . . . . 83 T CB . 6705 1 1085 . 1 1 83 83 THR CG2 C 13 24.569 . . . . . . . 83 T CG2 . 6705 1 1086 . 1 1 83 83 THR N N 15 114.82 . . . . . . . 83 T N . 6705 1 1087 . 1 1 84 84 LYS H H 1 8.021 . . . . . . . 84 K HN . 6705 1 1088 . 1 1 84 84 LYS HA H 1 3.778 . . . . . . . 84 K HA . 6705 1 1089 . 1 1 84 84 LYS HB2 H 1 1.728 . . . . . . . 84 K QB . 6705 1 1090 . 1 1 84 84 LYS HB3 H 1 1.728 . . . . . . . 84 K QB . 6705 1 1091 . 1 1 84 84 LYS HG2 H 1 1.254 . . . . . . . 84 K QG . 6705 1 1092 . 1 1 84 84 LYS HG3 H 1 1.254 . . . . . . . 84 K QG . 6705 1 1093 . 1 1 84 84 LYS HD2 H 1 1.506 . . . . . . . 84 K QD . 6705 1 1094 . 1 1 84 84 LYS HD3 H 1 1.506 . . . . . . . 84 K QD . 6705 1 1095 . 1 1 84 84 LYS HE2 H 1 2.79 . . . . . . . 84 K QE . 6705 1 1096 . 1 1 84 84 LYS HE3 H 1 2.79 . . . . . . . 84 K QE . 6705 1 1097 . 1 1 84 84 LYS C C 13 182.3 . . . . . . . 84 K C . 6705 1 1098 . 1 1 84 84 LYS CA C 13 61.807 . . . . . . . 84 K CA . 6705 1 1099 . 1 1 84 84 LYS CB C 13 33.984 . . . . . . . 84 K CB . 6705 1 1100 . 1 1 84 84 LYS CG C 13 27.698 . . . . . . . 84 K CG . 6705 1 1101 . 1 1 84 84 LYS CD C 13 31.396 . . . . . . . 84 K CD . 6705 1 1102 . 1 1 84 84 LYS CE C 13 44.483 . . . . . . . 84 K CE . 6705 1 1103 . 1 1 84 84 LYS N N 15 122.07 . . . . . . . 84 K N . 6705 1 1104 . 1 1 85 85 SER H H 1 7.842 . . . . . . . 85 S HN . 6705 1 1105 . 1 1 85 85 SER HA H 1 4.096 . . . . . . . 85 S HA . 6705 1 1106 . 1 1 85 85 SER HB3 H 1 3.821 . . . . . . . 85 S HB3 . 6705 1 1107 . 1 1 85 85 SER C C 13 180.05 . . . . . . . 85 S C . 6705 1 1108 . 1 1 85 85 SER CA C 13 63.953 . . . . . . . 85 S CA . 6705 1 1109 . 1 1 85 85 SER CB C 13 64.976 . . . . . . . 85 S CB . 6705 1 1110 . 1 1 85 85 SER N N 15 116.04 . . . . . . . 85 S N . 6705 1 1111 . 1 1 86 86 LEU H H 1 7.739 . . . . . . . 86 L HN . 6705 1 1112 . 1 1 86 86 LEU HA H 1 3.798 . . . . . . . 86 L HA . 6705 1 1113 . 1 1 86 86 LEU HB2 H 1 1.014 . . . . . . . 86 L QB . 6705 1 1114 . 1 1 86 86 LEU HB3 H 1 1.014 . . . . . . . 86 L QB . 6705 1 1115 . 1 1 86 86 LEU HG H 1 1.792 . . . . . . . 86 L HG . 6705 1 1116 . 1 1 86 86 LEU HD11 H 1 0.7 . . . . . . . 86 L QD1 . 6705 1 1117 . 1 1 86 86 LEU HD12 H 1 0.7 . . . . . . . 86 L QD1 . 6705 1 1118 . 1 1 86 86 LEU HD13 H 1 0.7 . . . . . . . 86 L QD1 . 6705 1 1119 . 1 1 86 86 LEU HD21 H 1 0.741 . . . . . . . 86 L QD2 . 6705 1 1120 . 1 1 86 86 LEU HD22 H 1 0.741 . . . . . . . 86 L QD2 . 6705 1 1121 . 1 1 86 86 LEU HD23 H 1 0.741 . . . . . . . 86 L QD2 . 6705 1 1122 . 1 1 86 86 LEU C C 13 180.74 . . . . . . . 86 L C . 6705 1 1123 . 1 1 86 86 LEU CA C 13 58.539 . . . . . . . 86 L CA . 6705 1 1124 . 1 1 86 86 LEU CB C 13 43.859 . . . . . . . 86 L CB . 6705 1 1125 . 1 1 86 86 LEU CG C 13 28.791 . . . . . . . 86 L CG . 6705 1 1126 . 1 1 86 86 LEU CD1 C 13 26.906 . . . . . . . 86 L CD1 . 6705 1 1127 . 1 1 86 86 LEU CD2 C 13 25.997 . . . . . . . 86 L CD2 . 6705 1 1128 . 1 1 86 86 LEU N N 15 123.08 . . . . . . . 86 L N . 6705 1 1129 . 1 1 87 87 MET H H 1 7.832 . . . . . . . 87 M HN . 6705 1 1130 . 1 1 87 87 MET HA H 1 4.04 . . . . . . . 87 M HA . 6705 1 1131 . 1 1 87 87 MET HB2 H 1 2.102 . . . . . . . 87 M HB2 . 6705 1 1132 . 1 1 87 87 MET HB3 H 1 2.238 . . . . . . . 87 M HB3 . 6705 1 1133 . 1 1 87 87 MET HG2 H 1 2.431 . . . . . . . 87 M QG . 6705 1 1134 . 1 1 87 87 MET HG3 H 1 2.431 . . . . . . . 87 M QG . 6705 1 1135 . 1 1 87 87 MET HE1 H 1 1.925 . . . . . . . 87 M QE . 6705 1 1136 . 1 1 87 87 MET HE2 H 1 1.925 . . . . . . . 87 M QE . 6705 1 1137 . 1 1 87 87 MET HE3 H 1 1.925 . . . . . . . 87 M QE . 6705 1 1138 . 1 1 87 87 MET C C 13 180.3 . . . . . . . 87 M C . 6705 1 1139 . 1 1 87 87 MET CA C 13 60.075 . . . . . . . 87 M CA . 6705 1 1140 . 1 1 87 87 MET CB C 13 33.428 . . . . . . . 87 M CB . 6705 1 1141 . 1 1 87 87 MET CG C 13 33.86 . . . . . . . 87 M CG . 6705 1 1142 . 1 1 87 87 MET CE C 13 19.101 . . . . . . . 87 M CE . 6705 1 1143 . 1 1 87 87 MET N N 15 117.3 . . . . . . . 87 M N . 6705 1 1144 . 1 1 88 88 ALA H H 1 8.067 . . . . . . . 88 A HN . 6705 1 1145 . 1 1 88 88 ALA HA H 1 3.942 . . . . . . . 88 A HA . 6705 1 1146 . 1 1 88 88 ALA HB1 H 1 1.267 . . . . . . . 88 A QB . 6705 1 1147 . 1 1 88 88 ALA HB2 H 1 1.267 . . . . . . . 88 A QB . 6705 1 1148 . 1 1 88 88 ALA HB3 H 1 1.267 . . . . . . . 88 A QB . 6705 1 1149 . 1 1 88 88 ALA C C 13 182.3 . . . . . . . 88 A C . 6705 1 1150 . 1 1 88 88 ALA CA C 13 56.692 . . . . . . . 88 A CA . 6705 1 1151 . 1 1 88 88 ALA CB C 13 21.302 . . . . . . . 88 A CB . 6705 1 1152 . 1 1 88 88 ALA N N 15 118.88 . . . . . . . 88 A N . 6705 1 1153 . 1 1 89 89 ALA H H 1 7.407 . . . . . . . 89 A HN . 6705 1 1154 . 1 1 89 89 ALA HA H 1 3.999 . . . . . . . 89 A HA . 6705 1 1155 . 1 1 89 89 ALA HB1 H 1 1.342 . . . . . . . 89 A QB . 6705 1 1156 . 1 1 89 89 ALA HB2 H 1 1.342 . . . . . . . 89 A QB . 6705 1 1157 . 1 1 89 89 ALA HB3 H 1 1.342 . . . . . . . 89 A QB . 6705 1 1158 . 1 1 89 89 ALA C C 13 180.87 . . . . . . . 89 A C . 6705 1 1159 . 1 1 89 89 ALA CA C 13 56.123 . . . . . . . 89 A CA . 6705 1 1160 . 1 1 89 89 ALA CB C 13 21.002 . . . . . . . 89 A CB . 6705 1 1161 . 1 1 89 89 ALA N N 15 117.81 . . . . . . . 89 A N . 6705 1 1162 . 1 1 90 90 ALA H H 1 7.455 . . . . . . . 90 A HN . 6705 1 1163 . 1 1 90 90 ALA HA H 1 4.425 . . . . . . . 90 A HA . 6705 1 1164 . 1 1 90 90 ALA HB1 H 1 1.356 . . . . . . . 90 A QB . 6705 1 1165 . 1 1 90 90 ALA HB2 H 1 1.356 . . . . . . . 90 A QB . 6705 1 1166 . 1 1 90 90 ALA HB3 H 1 1.356 . . . . . . . 90 A QB . 6705 1 1167 . 1 1 90 90 ALA C C 13 181.11 . . . . . . . 90 A C . 6705 1 1168 . 1 1 90 90 ALA CA C 13 54.871 . . . . . . . 90 A CA . 6705 1 1169 . 1 1 90 90 ALA CB C 13 25.083 . . . . . . . 90 A CB . 6705 1 1170 . 1 1 90 90 ALA N N 15 116.8 . . . . . . . 90 A N . 6705 1 1171 . 1 1 91 91 ASP H H 1 8.237 . . . . . . . 91 D HN . 6705 1 1172 . 1 1 91 91 ASP HA H 1 4.528 . . . . . . . 91 D HA . 6705 1 1173 . 1 1 91 91 ASP HB2 H 1 2.3 . . . . . . . 91 D QB . 6705 1 1174 . 1 1 91 91 ASP HB3 H 1 2.3 . . . . . . . 91 D QB . 6705 1 1175 . 1 1 91 91 ASP C C 13 179.1 . . . . . . . 91 D C . 6705 1 1176 . 1 1 91 91 ASP CA C 13 56.598 . . . . . . . 91 D CA . 6705 1 1177 . 1 1 91 91 ASP CB C 13 41.743 . . . . . . . 91 D CB . 6705 1 1178 . 1 1 91 91 ASP CG C 13 181.97 . . . . . . . 91 D CG . 6705 1 1179 . 1 1 91 91 ASP N N 15 116.24 . . . . . . . 91 D N . 6705 1 1180 . 1 1 92 92 ASN H H 1 8.393 . . . . . . . 92 N HN . 6705 1 1181 . 1 1 92 92 ASN HA H 1 4.396 . . . . . . . 92 N HA . 6705 1 1182 . 1 1 92 92 ASN HB2 H 1 2.688 . . . . . . . 92 N QB . 6705 1 1183 . 1 1 92 92 ASN HB3 H 1 2.688 . . . . . . . 92 N QB . 6705 1 1184 . 1 1 92 92 ASN HD21 H 1 6.667 . . . . . . . 92 N HD21 . 6705 1 1185 . 1 1 92 92 ASN HD22 H 1 7.58 . . . . . . . 92 N HD22 . 6705 1 1186 . 1 1 92 92 ASN C C 13 178.99 . . . . . . . 92 N C . 6705 1 1187 . 1 1 92 92 ASN CA C 13 57.543 . . . . . . . 92 N CA . 6705 1 1188 . 1 1 92 92 ASN CB C 13 42.263 . . . . . . . 92 N CB . 6705 1 1189 . 1 1 92 92 ASN CG C 13 178.09 . . . . . . . 92 N CG . 6705 1 1190 . 1 1 92 92 ASN N N 15 126.76 . . . . . . . 92 N N . 6705 1 1191 . 1 1 92 92 ASN ND2 N 15 113.27 . . . . . . . 92 N ND . 6705 1 1192 . 1 1 93 93 ASP H H 1 8.125 . . . . . . . 93 D HN . 6705 1 1193 . 1 1 93 93 ASP HA H 1 4.465 . . . . . . . 93 D HA . 6705 1 1194 . 1 1 93 93 ASP HB2 H 1 2.468 . . . . . . . 93 D QB . 6705 1 1195 . 1 1 93 93 ASP HB3 H 1 2.468 . . . . . . . 93 D QB . 6705 1 1196 . 1 1 93 93 ASP C C 13 180.49 . . . . . . . 93 D C . 6705 1 1197 . 1 1 93 93 ASP CA C 13 55.426 . . . . . . . 93 D CA . 6705 1 1198 . 1 1 93 93 ASP CB C 13 42.111 . . . . . . . 93 D CB . 6705 1 1199 . 1 1 93 93 ASP CG C 13 182.47 . . . . . . . 93 D CG . 6705 1 1200 . 1 1 93 93 ASP N N 15 115.57 . . . . . . . 93 D N . 6705 1 1201 . 1 1 94 94 GLY H H 1 7.428 . . . . . . . 94 G HN . 6705 1 1202 . 1 1 94 94 GLY HA2 H 1 3.656 . . . . . . . 94 G HA1 . 6705 1 1203 . 1 1 94 94 GLY HA3 H 1 3.71 . . . . . . . 94 G HA2 . 6705 1 1204 . 1 1 94 94 GLY C C 13 177.47 . . . . . . . 94 G C . 6705 1 1205 . 1 1 94 94 GLY CA C 13 49.833 . . . . . . . 94 G CA . 6705 1 1206 . 1 1 94 94 GLY N N 15 108.59 . . . . . . . 94 G N . 6705 1 1207 . 1 1 95 95 ASP H H 1 8.194 . . . . . . . 95 D HN . 6705 1 1208 . 1 1 95 95 ASP HA H 1 4.304 . . . . . . . 95 D HA . 6705 1 1209 . 1 1 95 95 ASP HB2 H 1 2.263 . . . . . . . 95 D HB2 . 6705 1 1210 . 1 1 95 95 ASP HB3 H 1 2.719 . . . . . . . 95 D HB3 . 6705 1 1211 . 1 1 95 95 ASP C C 13 179.97 . . . . . . . 95 D C . 6705 1 1212 . 1 1 95 95 ASP CA C 13 55.728 . . . . . . . 95 D CA . 6705 1 1213 . 1 1 95 95 ASP CB C 13 42.589 . . . . . . . 95 D CB . 6705 1 1214 . 1 1 95 95 ASP CG C 13 183.94 . . . . . . . 95 D CG . 6705 1 1215 . 1 1 95 95 ASP N N 15 120.21 . . . . . . . 95 D N . 6705 1 1216 . 1 1 96 96 GLY H H 1 10.052 . . . . . . . 96 G HN . 6705 1 1217 . 1 1 96 96 GLY HA2 H 1 3.356 . . . . . . . 96 G HA1 . 6705 1 1218 . 1 1 96 96 GLY HA3 H 1 3.767 . . . . . . . 96 G HA2 . 6705 1 1219 . 1 1 96 96 GLY C C 13 175.34 . . . . . . . 96 G C . 6705 1 1220 . 1 1 96 96 GLY CA C 13 48.422 . . . . . . . 96 G CA . 6705 1 1221 . 1 1 96 96 GLY N N 15 113.11 . . . . . . . 96 G N . 6705 1 1222 . 1 1 97 97 LYS H H 1 7.683 . . . . . . . 97 K HN . 6705 1 1223 . 1 1 97 97 LYS HA H 1 4.65 . . . . . . . 97 K HA . 6705 1 1224 . 1 1 97 97 LYS HB2 H 1 1.354 . . . . . . . 97 K QB . 6705 1 1225 . 1 1 97 97 LYS HB3 H 1 1.354 . . . . . . . 97 K QB . 6705 1 1226 . 1 1 97 97 LYS HG2 H 1 1.237 . . . . . . . 97 K HG2 . 6705 1 1227 . 1 1 97 97 LYS HG3 H 1 1.289 . . . . . . . 97 K HG3 . 6705 1 1228 . 1 1 97 97 LYS HD2 H 1 0.713 . . . . . . . 97 K HD2 . 6705 1 1229 . 1 1 97 97 LYS HD3 H 1 0.821 . . . . . . . 97 K HD3 . 6705 1 1230 . 1 1 97 97 LYS HE2 H 1 2.13 . . . . . . . 97 K QE . 6705 1 1231 . 1 1 97 97 LYS HE3 H 1 2.13 . . . . . . . 97 K QE . 6705 1 1232 . 1 1 97 97 LYS C C 13 178.05 . . . . . . . 97 K C . 6705 1 1233 . 1 1 97 97 LYS CA C 13 56.461 . . . . . . . 97 K CA . 6705 1 1234 . 1 1 97 97 LYS CB C 13 38.703 . . . . . . . 97 K CB . 6705 1 1235 . 1 1 97 97 LYS CG C 13 26.482 . . . . . . . 97 K CG . 6705 1 1236 . 1 1 97 97 LYS CD C 13 31.104 . . . . . . . 97 K CD . 6705 1 1237 . 1 1 97 97 LYS CE C 13 44.28 . . . . . . . 97 K CE . 6705 1 1238 . 1 1 97 97 LYS N N 15 116.67 . . . . . . . 97 K N . 6705 1 1239 . 1 1 98 98 ILE H H 1 8.959 . . . . . . . 98 I HN . 6705 1 1240 . 1 1 98 98 ILE HA H 1 4.866 . . . . . . . 98 I HA . 6705 1 1241 . 1 1 98 98 ILE HB H 1 1.836 . . . . . . . 98 I HB . 6705 1 1242 . 1 1 98 98 ILE HG12 H 1 0.788 . . . . . . . 98 I QG1 . 6705 1 1243 . 1 1 98 98 ILE HG13 H 1 0.788 . . . . . . . 98 I QG1 . 6705 1 1244 . 1 1 98 98 ILE HG21 H 1 1.062 . . . . . . . 98 I QG2 . 6705 1 1245 . 1 1 98 98 ILE HG22 H 1 1.062 . . . . . . . 98 I QG2 . 6705 1 1246 . 1 1 98 98 ILE HG23 H 1 1.062 . . . . . . . 98 I QG2 . 6705 1 1247 . 1 1 98 98 ILE HD11 H 1 0.712 . . . . . . . 98 I QD1 . 6705 1 1248 . 1 1 98 98 ILE HD12 H 1 0.712 . . . . . . . 98 I QD1 . 6705 1 1249 . 1 1 98 98 ILE HD13 H 1 0.712 . . . . . . . 98 I QD1 . 6705 1 1250 . 1 1 98 98 ILE C C 13 179.24 . . . . . . . 98 I C . 6705 1 1251 . 1 1 98 98 ILE CA C 13 62.617 . . . . . . . 98 I CA . 6705 1 1252 . 1 1 98 98 ILE CB C 13 42.117 . . . . . . . 98 I CB . 6705 1 1253 . 1 1 98 98 ILE CG1 C 13 29.933 . . . . . . . 98 I CG1 . 6705 1 1254 . 1 1 98 98 ILE CG2 C 13 20.797 . . . . . . . 98 I CG2 . 6705 1 1255 . 1 1 98 98 ILE CD1 C 13 17.172 . . . . . . . 98 I CD1 . 6705 1 1256 . 1 1 98 98 ILE N N 15 122.89 . . . . . . . 98 I N . 6705 1 1257 . 1 1 99 99 GLY H H 1 9.607 . . . . . . . 99 G HN . 6705 1 1258 . 1 1 99 99 GLY HA2 H 1 3.941 . . . . . . . 99 G HA1 . 6705 1 1259 . 1 1 99 99 GLY HA3 H 1 4.526 . . . . . . . 99 G HA2 . 6705 1 1260 . 1 1 99 99 GLY C C 13 176.51 . . . . . . . 99 G C . 6705 1 1261 . 1 1 99 99 GLY CA C 13 46.958 . . . . . . . 99 G CA . 6705 1 1262 . 1 1 99 99 GLY N N 15 116.9 . . . . . . . 99 G N . 6705 1 1263 . 1 1 100 100 ALA H H 1 8.191 . . . . . . . 100 A HN . 6705 1 1264 . 1 1 100 100 ALA HA H 1 2.274 . . . . . . . 100 A HA . 6705 1 1265 . 1 1 100 100 ALA HB1 H 1 0.562 . . . . . . . 100 A QB . 6705 1 1266 . 1 1 100 100 ALA HB2 H 1 0.562 . . . . . . . 100 A QB . 6705 1 1267 . 1 1 100 100 ALA HB3 H 1 0.562 . . . . . . . 100 A QB . 6705 1 1268 . 1 1 100 100 ALA C C 13 182.75 . . . . . . . 100 A C . 6705 1 1269 . 1 1 100 100 ALA CA C 13 58.204 . . . . . . . 100 A CA . 6705 1 1270 . 1 1 100 100 ALA CB C 13 20.352 . . . . . . . 100 A CB . 6705 1 1271 . 1 1 100 100 ALA N N 15 123.08 . . . . . . . 100 A N . 6705 1 1272 . 1 1 101 101 GLU H H 1 8.461 . . . . . . . 101 E HN . 6705 1 1273 . 1 1 101 101 GLU HA H 1 3.86 . . . . . . . 101 E HA . 6705 1 1274 . 1 1 101 101 GLU HB2 H 1 1.843 . . . . . . . 101 E QB . 6705 1 1275 . 1 1 101 101 GLU HB3 H 1 1.843 . . . . . . . 101 E QB . 6705 1 1276 . 1 1 101 101 GLU HG2 H 1 2.171 . . . . . . . 101 E QG . 6705 1 1277 . 1 1 101 101 GLU HG3 H 1 2.171 . . . . . . . 101 E QG . 6705 1 1278 . 1 1 101 101 GLU C C 13 181.64 . . . . . . . 101 E C . 6705 1 1279 . 1 1 101 101 GLU CA C 13 62.193 . . . . . . . 101 E CA . 6705 1 1280 . 1 1 101 101 GLU CB C 13 30.031 . . . . . . . 101 E CB . 6705 1 1281 . 1 1 101 101 GLU CG C 13 38.796 . . . . . . . 101 E CG . 6705 1 1282 . 1 1 101 101 GLU CD C 13 186.6 . . . . . . . 101 E CD . 6705 1 1283 . 1 1 101 101 GLU N N 15 117.31 . . . . . . . 101 E N . 6705 1 1284 . 1 1 102 102 GLU H H 1 7.401 . . . . . . . 102 E HN . 6705 1 1285 . 1 1 102 102 GLU HA H 1 4.012 . . . . . . . 102 E HA . 6705 1 1286 . 1 1 102 102 GLU HB2 H 1 2.316 . . . . . . . 102 E QB . 6705 1 1287 . 1 1 102 102 GLU HB3 H 1 2.316 . . . . . . . 102 E QB . 6705 1 1288 . 1 1 102 102 GLU HG2 H 1 2.299 . . . . . . . 102 E QG . 6705 1 1289 . 1 1 102 102 GLU HG3 H 1 2.299 . . . . . . . 102 E QG . 6705 1 1290 . 1 1 102 102 GLU C C 13 182.48 . . . . . . . 102 E C . 6705 1 1291 . 1 1 102 102 GLU CA C 13 60.961 . . . . . . . 102 E CA . 6705 1 1292 . 1 1 102 102 GLU CB C 13 32.363 . . . . . . . 102 E CB . 6705 1 1293 . 1 1 102 102 GLU CG C 13 40.004 . . . . . . . 102 E CG . 6705 1 1294 . 1 1 102 102 GLU CD C 13 189.45 . . . . . . . 102 E CD . 6705 1 1295 . 1 1 102 102 GLU N N 15 120.62 . . . . . . . 102 E N . 6705 1 1296 . 1 1 103 103 PHE H H 1 8.484 . . . . . . . 103 F HN . 6705 1 1297 . 1 1 103 103 PHE HA H 1 3.782 . . . . . . . 103 F HA . 6705 1 1298 . 1 1 103 103 PHE HB2 H 1 2.99 . . . . . . . 103 F QB . 6705 1 1299 . 1 1 103 103 PHE HB3 H 1 2.99 . . . . . . . 103 F QB . 6705 1 1300 . 1 1 103 103 PHE HD1 H 1 6.918 . . . . . . . 103 F QD . 6705 1 1301 . 1 1 103 103 PHE HD2 H 1 6.918 . . . . . . . 103 F QD . 6705 1 1302 . 1 1 103 103 PHE HE1 H 1 7.083 . . . . . . . 103 F QE . 6705 1 1303 . 1 1 103 103 PHE HE2 H 1 7.083 . . . . . . . 103 F QE . 6705 1 1304 . 1 1 103 103 PHE HZ H 1 6.971 . . . . . . . 103 F HZ . 6705 1 1305 . 1 1 103 103 PHE C C 13 178.12 . . . . . . . 103 F C . 6705 1 1306 . 1 1 103 103 PHE CA C 13 64.389 . . . . . . . 103 F CA . 6705 1 1307 . 1 1 103 103 PHE CB C 13 42.579 . . . . . . . 103 F CB . 6705 1 1308 . 1 1 103 103 PHE CG C 13 138.99 . . . . . . . 103 F CG . 6705 1 1309 . 1 1 103 103 PHE CD1 C 13 132.39 . . . . . . . 103 F CD . 6705 1 1310 . 1 1 103 103 PHE CD2 C 13 132.39 . . . . . . . 103 F CD . 6705 1 1311 . 1 1 103 103 PHE CE1 C 13 130.46 . . . . . . . 103 F CE . 6705 1 1312 . 1 1 103 103 PHE CE2 C 13 130.46 . . . . . . . 103 F CE . 6705 1 1313 . 1 1 103 103 PHE CZ C 13 128.84 . . . . . . . 103 F CZ . 6705 1 1314 . 1 1 103 103 PHE N N 15 121.18 . . . . . . . 103 F N . 6705 1 1315 . 1 1 104 104 GLN H H 1 7.859 . . . . . . . 104 Q HN . 6705 1 1316 . 1 1 104 104 GLN HA H 1 3.335 . . . . . . . 104 Q HA . 6705 1 1317 . 1 1 104 104 GLN HB2 H 1 1.961 . . . . . . . 104 Q QB . 6705 1 1318 . 1 1 104 104 GLN HB3 H 1 1.961 . . . . . . . 104 Q QB . 6705 1 1319 . 1 1 104 104 GLN HG2 H 1 2.039 . . . . . . . 104 Q HG2 . 6705 1 1320 . 1 1 104 104 GLN HG3 H 1 2.275 . . . . . . . 104 Q HG3 . 6705 1 1321 . 1 1 104 104 GLN HE21 H 1 6.719 . . . . . . . 104 Q HE21 . 6705 1 1322 . 1 1 104 104 GLN HE22 H 1 7.273 . . . . . . . 104 Q HE22 . 6705 1 1323 . 1 1 104 104 GLN C C 13 179.67 . . . . . . . 104 Q C . 6705 1 1324 . 1 1 104 104 GLN CA C 13 61.866 . . . . . . . 104 Q CA . 6705 1 1325 . 1 1 104 104 GLN CB C 13 30.228 . . . . . . . 104 Q CB . 6705 1 1326 . 1 1 104 104 GLN CG C 13 35.737 . . . . . . . 104 Q CG . 6705 1 1327 . 1 1 104 104 GLN CD C 13 181.3 . . . . . . . 104 Q CD . 6705 1 1328 . 1 1 104 104 GLN N N 15 117.3 . . . . . . . 104 Q N . 6705 1 1329 . 1 1 104 104 GLN NE2 N 15 110.37 . . . . . . . 104 Q NE . 6705 1 1330 . 1 1 105 105 GLU H H 1 7.932 . . . . . . . 105 E HN . 6705 1 1331 . 1 1 105 105 GLU HA H 1 3.73 . . . . . . . 105 E HA . 6705 1 1332 . 1 1 105 105 GLU HB2 H 1 1.913 . . . . . . . 105 E QB . 6705 1 1333 . 1 1 105 105 GLU HB3 H 1 1.913 . . . . . . . 105 E QB . 6705 1 1334 . 1 1 105 105 GLU HG2 H 1 2.248 . . . . . . . 105 E QG . 6705 1 1335 . 1 1 105 105 GLU HG3 H 1 2.248 . . . . . . . 105 E QG . 6705 1 1336 . 1 1 105 105 GLU C C 13 179.66 . . . . . . . 105 E C . 6705 1 1337 . 1 1 105 105 GLU CA C 13 59.807 . . . . . . . 105 E CA . 6705 1 1338 . 1 1 105 105 GLU CB C 13 32.072 . . . . . . . 105 E CB . 6705 1 1339 . 1 1 105 105 GLU CG C 13 38.682 . . . . . . . 105 E CG . 6705 1 1340 . 1 1 105 105 GLU CD C 13 186.36 . . . . . . . 105 E CD . 6705 1 1341 . 1 1 105 105 GLU N N 15 116.97 . . . . . . . 105 E N . 6705 1 1342 . 1 1 106 106 MET H H 1 7.507 . . . . . . . 106 M HN . 6705 1 1343 . 1 1 106 106 MET HA H 1 3.97 . . . . . . . 106 M HA . 6705 1 1344 . 1 1 106 106 MET HB2 H 1 1.977 . . . . . . . 106 M HB2 . 6705 1 1345 . 1 1 106 106 MET HB3 H 1 1.904 . . . . . . . 106 M HB3 . 6705 1 1346 . 1 1 106 106 MET HG2 H 1 2.283 . . . . . . . 106 M QG . 6705 1 1347 . 1 1 106 106 MET HG3 H 1 2.283 . . . . . . . 106 M QG . 6705 1 1348 . 1 1 106 106 MET HE1 H 1 1.744 . . . . . . . 106 M QE . 6705 1 1349 . 1 1 106 106 MET HE2 H 1 1.744 . . . . . . . 106 M QE . 6705 1 1350 . 1 1 106 106 MET HE3 H 1 1.744 . . . . . . . 106 M QE . 6705 1 1351 . 1 1 106 106 MET C C 13 179.41 . . . . . . . 106 M C . 6705 1 1352 . 1 1 106 106 MET CA C 13 61.349 . . . . . . . 106 M CA . 6705 1 1353 . 1 1 106 106 MET CB C 13 34.853 . . . . . . . 106 M CB . 6705 1 1354 . 1 1 106 106 MET CG C 13 33.809 . . . . . . . 106 M CG . 6705 1 1355 . 1 1 106 106 MET CE C 13 19.496 . . . . . . . 106 M CE . 6705 1 1356 . 1 1 106 106 MET N N 15 118.6 . . . . . . . 106 M N . 6705 1 1357 . 1 1 107 107 VAL H H 1 7.356 . . . . . . . 107 V HN . 6705 1 1358 . 1 1 107 107 VAL HA H 1 2.717 . . . . . . . 107 V HA . 6705 1 1359 . 1 1 107 107 VAL HB H 1 1.145 . . . . . . . 107 V HB . 6705 1 1360 . 1 1 107 107 VAL HG11 H 1 0.18 . . . . . . . 107 V QG1 . 6705 1 1361 . 1 1 107 107 VAL HG12 H 1 0.18 . . . . . . . 107 V QG1 . 6705 1 1362 . 1 1 107 107 VAL HG13 H 1 0.18 . . . . . . . 107 V QG1 . 6705 1 1363 . 1 1 107 107 VAL HG21 H 1 -0.608 . . . . . . . 107 V QG2 . 6705 1 1364 . 1 1 107 107 VAL HG22 H 1 -0.608 . . . . . . . 107 V QG2 . 6705 1 1365 . 1 1 107 107 VAL HG23 H 1 -0.608 . . . . . . . 107 V QG2 . 6705 1 1366 . 1 1 107 107 VAL C C 13 178.71 . . . . . . . 107 V C . 6705 1 1367 . 1 1 107 107 VAL CA C 13 67.547 . . . . . . . 107 V CA . 6705 1 1368 . 1 1 107 107 VAL CB C 13 33.419 . . . . . . . 107 V CB . 6705 1 1369 . 1 1 107 107 VAL CG1 C 13 24.511 . . . . . . . 107 V CG1 . 6705 1 1370 . 1 1 107 107 VAL CG2 C 13 23.545 . . . . . . . 107 V CG2 . 6705 1 1371 . 1 1 107 107 VAL N N 15 116.11 . . . . . . . 107 V N . 6705 1 1372 . 1 1 108 108 HIS H H 1 7.127 . . . . . . . 108 H HN . 6705 1 1373 . 1 1 108 108 HIS HA H 1 4.663 . . . . . . . 108 H HA . 6705 1 1374 . 1 1 108 108 HIS HB2 H 1 2.809 . . . . . . . 108 H HB2 . 6705 1 1375 . 1 1 108 108 HIS HB3 H 1 3.168 . . . . . . . 108 H HB3 . 6705 1 1376 . 1 1 108 108 HIS HD2 H 1 6.896 . . . . . . . 108 H HD2 . 6705 1 1377 . 1 1 108 108 HIS HE1 H 1 7.242 . . . . . . . 108 H HE1 . 6705 1 1378 . 1 1 108 108 HIS C C 13 176.63 . . . . . . . 108 H C . 6705 1 1379 . 1 1 108 108 HIS CA C 13 57.465 . . . . . . . 108 H CA . 6705 1 1380 . 1 1 108 108 HIS CB C 13 33.227 . . . . . . . 108 H CB . 6705 1 1381 . 1 1 108 108 HIS CD2 C 13 132.48 . . . . . . . 108 H CD2 . 6705 1 1382 . 1 1 108 108 HIS CE1 C 13 137.45 . . . . . . . 108 H CE . 6705 1 1383 . 1 1 108 108 HIS N N 15 115.78 . . . . . . . 108 H N . 6705 1 1384 . 1 1 109 109 SER H H 1 7.402 . . . . . . . 109 S HN . 6705 1 1385 . 1 1 109 109 SER HA H 1 4.069 . . . . . . . 109 S HA . 6705 1 1386 . 1 1 109 109 SER HB2 H 1 3.813 . . . . . . . 109 S QB . 6705 1 1387 . 1 1 109 109 SER HB3 H 1 3.813 . . . . . . . 109 S QB . 6705 1 1388 . 1 1 109 109 SER C C 13 181.25 . . . . . . . 109 S C . 6705 1 1389 . 1 1 109 109 SER CA C 13 63.543 . . . . . . . 109 S CA . 6705 1 1390 . 1 1 109 109 SER CB C 13 67.305 . . . . . . . 109 S CB . 6705 1 1391 . 1 1 109 109 SER N N 15 122.21 . . . . . . . 109 S N . 6705 1 stop_ save_