data_18445 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18445 _Entry.Title ; NMR high resolution structures of free Tah1 and Tah1 bound to the Hsp90 C-terminal tail explain how Hsp90 recognizes the R2TP complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-05-07 _Entry.Accession_date 2012-05-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Regis BACK . R.B. . 18445 2 Cyril DOMINGUEZ . . . 18445 3 Benjamin ROTHE . . . 18445 4 Claude BOBO . . . 18445 5 Chrystel BEAUFILS . . . 18445 6 Solange MORERA . . . 18445 7 Philippe MEYER . . . 18445 8 Bruno CHARPENTIER . . . 18445 9 Christiane BRANLANT . . . 18445 10 'Frederic H.-T.' ALLAIN . . . 18445 11 Xavier MANIVAL . . . 18445 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18445 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 18445 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18445 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 327 18445 '1H chemical shifts' 760 18445 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-24 2012-05-07 update BMRB 'update entry citation' 18445 1 . . 2013-05-20 2012-05-07 original author 'original release' 18445 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LSU 'BMRB Entry Tracking System' 18445 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18445 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24012479 _Citation.Full_citation . _Citation.Title 'High-resolution structural analysis shows how Tah1 tethers Hsp90 to the R2TP complex.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 21 _Citation.Journal_issue 10 _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 1834 _Citation.Page_last 1847 _Citation.Year 2013 _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 Regis Back . . . 18445 1 2 Cyril Dominguez . . . 18445 1 3 Benjamin Rothe . . . 18445 1 4 Claude Bobo . . . 18445 1 5 Chrystel Beaufils . . . 18445 1 6 Solange Morera . . . 18445 1 7 Philippe Meyer . . . 18445 1 8 Bruno Charpentier . . . 18445 1 9 Christiane Branlant . . . 18445 1 10 'Frederic H-T' Allain . . . 18445 1 11 Xavier Manival . . . 18445 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18445 _Assembly.ID 1 _Assembly.Name 'yeast Tah1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'yeast Tah1' 1 $entity A . yes native no no . . . 18445 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18445 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SQFEKQKEQGNSLFKQGLYR EAVHCYDQLITAQPQNPVGY SNKAMALIKLGEYTQAIQMC QQGLRYTSTAEHVAIRSKLQ YRLELAQGAVGSVQIPVVEV DELPEGYDRS ; _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12393.052 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17312 . Tah1 . . . . . 100.00 111 100.00 100.00 1.18e-73 . . . . 18445 1 2 no BMRB 18447 . entity_1 . . . . . 100.00 110 100.00 100.00 1.42e-73 . . . . 18445 1 3 no PDB 2L6J . "Tah1 Complexed By Meevd" . . . . . 100.00 111 100.00 100.00 1.18e-73 . . . . 18445 1 4 no PDB 2LSU . "The Nmr High Resolution Structure Of Yeast Tah1 In A Free Form" . . . . . 100.00 110 100.00 100.00 1.42e-73 . . . . 18445 1 5 no PDB 2LSV . "The Nmr High Resolution Structure Of Yeast Tah1 In Complex With The Hsp90 C-terminal Tail" . . . . . 100.00 110 100.00 100.00 1.42e-73 . . . . 18445 1 6 no PDB 4CGQ . "Full Length Tah1 Bound To Hsp90 Peptide Srmeevd" . . . . . 100.00 111 98.18 98.18 2.30e-71 . . . . 18445 1 7 no PDB 4CGU . "Full Length Tah1 Bound To Yeast Pih1 And Hsp90 Peptide Srmeevd" . . . . . 100.00 112 98.18 98.18 2.67e-71 . . . . 18445 1 8 no DBJ GAA21965 . "K7_Tah1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 111 97.27 98.18 1.13e-71 . . . . 18445 1 9 no EMBL CAA42288 . "hypothetical protein [Saccharomyces cerevisiae]" . . . . . 100.00 111 100.00 100.00 1.18e-73 . . . . 18445 1 10 no EMBL CAY78265 . "Tah1p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 111 100.00 100.00 1.18e-73 . . . . 18445 1 11 no GB AAS56477 . "YCR060W [Saccharomyces cerevisiae]" . . . . . 100.00 111 100.00 100.00 1.18e-73 . . . . 18445 1 12 no GB AHN96120 . "TAH1 [synthetic construct]" . . . . . 100.00 111 100.00 100.00 1.18e-73 . . . . 18445 1 13 no GB AHV79323 . "TAH1 [synthetic construct]" . . . . . 100.00 111 100.00 100.00 1.18e-73 . . . . 18445 1 14 no GB AHY79733 . "Tah1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 111 100.00 100.00 1.18e-73 . . . . 18445 1 15 no GB AJP37484 . "Tah1p [Saccharomyces cerevisiae YJM1078]" . . . . . 100.00 111 100.00 100.00 1.18e-73 . . . . 18445 1 16 no REF NP_009986 . "Tah1p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 111 100.00 100.00 1.18e-73 . . . . 18445 1 17 no SP P25638 . "RecName: Full=TPR repeat-containing protein associated with Hsp90" . . . . . 100.00 111 100.00 100.00 1.18e-73 . . . . 18445 1 18 no TPG DAA07534 . "TPA: Tah1p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 111 100.00 100.00 1.18e-73 . . . . 18445 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 . SER . 18445 1 2 . GLN . 18445 1 3 4 PHE . 18445 1 4 5 GLU . 18445 1 5 6 LYS . 18445 1 6 7 GLN . 18445 1 7 8 LYS . 18445 1 8 9 GLU . 18445 1 9 10 GLN . 18445 1 10 11 GLY . 18445 1 11 12 ASN . 18445 1 12 13 SER . 18445 1 13 14 LEU . 18445 1 14 15 PHE . 18445 1 15 16 LYS . 18445 1 16 17 GLN . 18445 1 17 18 GLY . 18445 1 18 19 LEU . 18445 1 19 20 TYR . 18445 1 20 21 ARG . 18445 1 21 22 GLU . 18445 1 22 23 ALA . 18445 1 23 24 VAL . 18445 1 24 25 HIS . 18445 1 25 26 CYS . 18445 1 26 27 TYR . 18445 1 27 28 ASP . 18445 1 28 29 GLN . 18445 1 29 30 LEU . 18445 1 30 31 ILE . 18445 1 31 32 THR . 18445 1 32 33 ALA . 18445 1 33 34 GLN . 18445 1 34 35 PRO . 18445 1 35 36 GLN . 18445 1 36 37 ASN . 18445 1 37 38 PRO . 18445 1 38 39 VAL . 18445 1 39 40 GLY . 18445 1 40 41 TYR . 18445 1 41 42 SER . 18445 1 42 43 ASN . 18445 1 43 44 LYS . 18445 1 44 45 ALA . 18445 1 45 46 MET . 18445 1 46 47 ALA . 18445 1 47 48 LEU . 18445 1 48 49 ILE . 18445 1 49 50 LYS . 18445 1 50 51 LEU . 18445 1 51 52 GLY . 18445 1 52 53 GLU . 18445 1 53 54 TYR . 18445 1 54 55 THR . 18445 1 55 56 GLN . 18445 1 56 57 ALA . 18445 1 57 58 ILE . 18445 1 58 59 GLN . 18445 1 59 60 MET . 18445 1 60 61 CYS . 18445 1 61 62 GLN . 18445 1 62 63 GLN . 18445 1 63 64 GLY . 18445 1 64 65 LEU . 18445 1 65 66 ARG . 18445 1 66 67 TYR . 18445 1 67 68 THR . 18445 1 68 69 SER . 18445 1 69 70 THR . 18445 1 70 71 ALA . 18445 1 71 72 GLU . 18445 1 72 73 HIS . 18445 1 73 74 VAL . 18445 1 74 75 ALA . 18445 1 75 76 ILE . 18445 1 76 77 ARG . 18445 1 77 78 SER . 18445 1 78 79 LYS . 18445 1 79 80 LEU . 18445 1 80 81 GLN . 18445 1 81 82 TYR . 18445 1 82 83 ARG . 18445 1 83 84 LEU . 18445 1 84 85 GLU . 18445 1 85 86 LEU . 18445 1 86 87 ALA . 18445 1 87 88 GLN . 18445 1 88 89 GLY . 18445 1 89 90 ALA . 18445 1 90 91 VAL . 18445 1 91 92 GLY . 18445 1 92 93 SER . 18445 1 93 94 VAL . 18445 1 94 95 GLN . 18445 1 95 96 ILE . 18445 1 96 97 PRO . 18445 1 97 98 VAL . 18445 1 98 99 VAL . 18445 1 99 100 GLU . 18445 1 100 101 VAL . 18445 1 101 102 ASP . 18445 1 102 103 GLU . 18445 1 103 104 LEU . 18445 1 104 105 PRO . 18445 1 105 106 GLU . 18445 1 106 107 GLY . 18445 1 107 108 TYR . 18445 1 108 109 ASP . 18445 1 109 110 ARG . 18445 1 110 111 SER . 18445 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 . SER 1 1 18445 1 . GLN 2 2 18445 1 . PHE 3 3 18445 1 . GLU 4 4 18445 1 . LYS 5 5 18445 1 . GLN 6 6 18445 1 . LYS 7 7 18445 1 . GLU 8 8 18445 1 . GLN 9 9 18445 1 . GLY 10 10 18445 1 . ASN 11 11 18445 1 . SER 12 12 18445 1 . LEU 13 13 18445 1 . PHE 14 14 18445 1 . LYS 15 15 18445 1 . GLN 16 16 18445 1 . GLY 17 17 18445 1 . LEU 18 18 18445 1 . TYR 19 19 18445 1 . ARG 20 20 18445 1 . GLU 21 21 18445 1 . ALA 22 22 18445 1 . VAL 23 23 18445 1 . HIS 24 24 18445 1 . CYS 25 25 18445 1 . TYR 26 26 18445 1 . ASP 27 27 18445 1 . GLN 28 28 18445 1 . LEU 29 29 18445 1 . ILE 30 30 18445 1 . THR 31 31 18445 1 . ALA 32 32 18445 1 . GLN 33 33 18445 1 . PRO 34 34 18445 1 . GLN 35 35 18445 1 . ASN 36 36 18445 1 . PRO 37 37 18445 1 . VAL 38 38 18445 1 . GLY 39 39 18445 1 . TYR 40 40 18445 1 . SER 41 41 18445 1 . ASN 42 42 18445 1 . LYS 43 43 18445 1 . ALA 44 44 18445 1 . MET 45 45 18445 1 . ALA 46 46 18445 1 . LEU 47 47 18445 1 . ILE 48 48 18445 1 . LYS 49 49 18445 1 . LEU 50 50 18445 1 . GLY 51 51 18445 1 . GLU 52 52 18445 1 . TYR 53 53 18445 1 . THR 54 54 18445 1 . GLN 55 55 18445 1 . ALA 56 56 18445 1 . ILE 57 57 18445 1 . GLN 58 58 18445 1 . MET 59 59 18445 1 . CYS 60 60 18445 1 . GLN 61 61 18445 1 . GLN 62 62 18445 1 . GLY 63 63 18445 1 . LEU 64 64 18445 1 . ARG 65 65 18445 1 . TYR 66 66 18445 1 . THR 67 67 18445 1 . SER 68 68 18445 1 . THR 69 69 18445 1 . ALA 70 70 18445 1 . GLU 71 71 18445 1 . HIS 72 72 18445 1 . VAL 73 73 18445 1 . ALA 74 74 18445 1 . ILE 75 75 18445 1 . ARG 76 76 18445 1 . SER 77 77 18445 1 . LYS 78 78 18445 1 . LEU 79 79 18445 1 . GLN 80 80 18445 1 . TYR 81 81 18445 1 . ARG 82 82 18445 1 . LEU 83 83 18445 1 . GLU 84 84 18445 1 . LEU 85 85 18445 1 . ALA 86 86 18445 1 . GLN 87 87 18445 1 . GLY 88 88 18445 1 . ALA 89 89 18445 1 . VAL 90 90 18445 1 . GLY 91 91 18445 1 . SER 92 92 18445 1 . VAL 93 93 18445 1 . GLN 94 94 18445 1 . ILE 95 95 18445 1 . PRO 96 96 18445 1 . VAL 97 97 18445 1 . VAL 98 98 18445 1 . GLU 99 99 18445 1 . VAL 100 100 18445 1 . ASP 101 101 18445 1 . GLU 102 102 18445 1 . LEU 103 103 18445 1 . PRO 104 104 18445 1 . GLU 105 105 18445 1 . GLY 106 106 18445 1 . TYR 107 107 18445 1 . ASP 108 108 18445 1 . ARG 109 109 18445 1 . SER 110 110 18445 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18445 _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 $entity . 4932 organism . 'Saccharomyces cerevisiae' 'bakers yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 18445 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 18445 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pKHS . . . . . . 18445 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18445 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tah1 '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 18445 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18445 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18445 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18445 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18445 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18445 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tah1 '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 18445 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18445 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18445 2 4 D2O 'natural abundance' . . . . . . 150 . . mM . . . . 18445 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18445 _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' 160 . mM 18445 1 pH 7.2 . pH 18445 1 pressure 1 . atm 18445 1 temperature 288 . K 18445 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18445 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18445 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18445 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18445 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18445 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18445 2 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 18445 _Software.ID 3 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 18445 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18445 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18445 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18445 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18445 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18445 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18445 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18445 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18445 1 2 spectrometer_2 Bruker Avance . 750 . . . 18445 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18445 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18445 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18445 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18445 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18445 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18445 1 6 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18445 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18445 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18445 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18445 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18445 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18445 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18445 1 13 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18445 1 14 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18445 1 15 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18445 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18445 _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 water protons . . . . ppm 4.7 internal indirect 0.251449530 . . . . . . . . . 18445 1 H 1 water protons . . . . ppm 4.7 internal direct 1.000000000 . . . . . . . . . 18445 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.251449530 . . . . . . . . . 18445 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18445 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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 9 '3D 1H-15N NOESY' . . . 18445 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 PHE H H 1 8.185 0.000 . 1 . . . A 4 PHE H . 18445 1 2 . 1 1 3 3 PHE HA H 1 3.797 0.008 . 1 . . . A 4 PHE HA . 18445 1 3 . 1 1 3 3 PHE HB2 H 1 2.763 0.009 . 2 . . . A 4 PHE HB2 . 18445 1 4 . 1 1 3 3 PHE HB3 H 1 2.914 0.013 . 2 . . . A 4 PHE HB3 . 18445 1 5 . 1 1 3 3 PHE HD1 H 1 6.919 0.006 . 3 . . . A 4 PHE HD1 . 18445 1 6 . 1 1 3 3 PHE HD2 H 1 6.919 0.006 . 3 . . . A 4 PHE HD2 . 18445 1 7 . 1 1 3 3 PHE HE1 H 1 7.214 0.001 . 3 . . . A 4 PHE HE1 . 18445 1 8 . 1 1 3 3 PHE HE2 H 1 7.214 0.001 . 3 . . . A 4 PHE HE2 . 18445 1 9 . 1 1 3 3 PHE HZ H 1 6.808 0.002 . 1 . . . A 4 PHE HZ . 18445 1 10 . 1 1 3 3 PHE CA C 13 61.056 0.022 . 1 . . . A 4 PHE CA . 18445 1 11 . 1 1 3 3 PHE CB C 13 39.377 0.065 . 1 . . . A 4 PHE CB . 18445 1 12 . 1 1 4 4 GLU H H 1 7.851 0.003 . 1 . . . A 5 GLU H . 18445 1 13 . 1 1 4 4 GLU HA H 1 3.762 0.009 . 1 . . . A 5 GLU HA . 18445 1 14 . 1 1 4 4 GLU HB2 H 1 1.891 0.004 . 2 . . . A 5 GLU HB2 . 18445 1 15 . 1 1 4 4 GLU HB3 H 1 1.973 0.003 . 2 . . . A 5 GLU HB3 . 18445 1 16 . 1 1 4 4 GLU HG2 H 1 2.271 0.004 . 2 . . . A 5 GLU HG2 . 18445 1 17 . 1 1 4 4 GLU HG3 H 1 2.271 0.004 . 2 . . . A 5 GLU HG3 . 18445 1 18 . 1 1 4 4 GLU CA C 13 58.630 0.026 . 1 . . . A 5 GLU CA . 18445 1 19 . 1 1 4 4 GLU CB C 13 28.448 0.174 . 1 . . . A 5 GLU CB . 18445 1 20 . 1 1 4 4 GLU CG C 13 35.776 0.057 . 1 . . . A 5 GLU CG . 18445 1 21 . 1 1 5 5 LYS H H 1 7.857 0.007 . 1 . . . A 6 LYS H . 18445 1 22 . 1 1 5 5 LYS HA H 1 3.870 0.003 . 1 . . . A 6 LYS HA . 18445 1 23 . 1 1 5 5 LYS HB2 H 1 1.676 0.001 . 2 . . . A 6 LYS HB2 . 18445 1 24 . 1 1 5 5 LYS HB3 H 1 1.738 0.002 . 2 . . . A 6 LYS HB3 . 18445 1 25 . 1 1 5 5 LYS HG2 H 1 1.217 0.003 . 2 . . . A 6 LYS HG2 . 18445 1 26 . 1 1 5 5 LYS HG3 H 1 1.369 0.001 . 2 . . . A 6 LYS HG3 . 18445 1 27 . 1 1 5 5 LYS HD2 H 1 1.450 0.002 . 2 . . . A 6 LYS HD2 . 18445 1 28 . 1 1 5 5 LYS HD3 H 1 1.450 0.002 . 2 . . . A 6 LYS HD3 . 18445 1 29 . 1 1 5 5 LYS HE2 H 1 2.740 0.001 . 2 . . . A 6 LYS HE2 . 18445 1 30 . 1 1 5 5 LYS HE3 H 1 2.740 0.001 . 2 . . . A 6 LYS HE3 . 18445 1 31 . 1 1 5 5 LYS CA C 13 58.668 0.000 . 1 . . . A 6 LYS CA . 18445 1 32 . 1 1 5 5 LYS CB C 13 31.571 0.016 . 1 . . . A 6 LYS CB . 18445 1 33 . 1 1 5 5 LYS CG C 13 24.442 0.031 . 1 . . . A 6 LYS CG . 18445 1 34 . 1 1 5 5 LYS CD C 13 28.362 0.050 . 1 . . . A 6 LYS CD . 18445 1 35 . 1 1 5 5 LYS CE C 13 41.438 0.006 . 1 . . . A 6 LYS CE . 18445 1 36 . 1 1 6 6 GLN H H 1 8.147 0.006 . 1 . . . A 7 GLN H . 18445 1 37 . 1 1 6 6 GLN HA H 1 3.859 0.003 . 1 . . . A 7 GLN HA . 18445 1 38 . 1 1 6 6 GLN HB2 H 1 1.668 0.002 . 2 . . . A 7 GLN HB2 . 18445 1 39 . 1 1 6 6 GLN HB3 H 1 1.836 0.000 . 2 . . . A 7 GLN HB3 . 18445 1 40 . 1 1 6 6 GLN HG2 H 1 2.049 0.001 . 2 . . . A 7 GLN HG2 . 18445 1 41 . 1 1 6 6 GLN HG3 H 1 2.049 0.001 . 2 . . . A 7 GLN HG3 . 18445 1 42 . 1 1 6 6 GLN HE21 H 1 6.921 0.000 . 2 . . . A 7 GLN HE21 . 18445 1 43 . 1 1 6 6 GLN HE22 H 1 6.358 0.000 . 2 . . . A 7 GLN HE22 . 18445 1 44 . 1 1 6 6 GLN CA C 13 57.900 0.000 . 1 . . . A 7 GLN CA . 18445 1 45 . 1 1 6 6 GLN CB C 13 27.345 0.023 . 1 . . . A 7 GLN CB . 18445 1 46 . 1 1 6 6 GLN CG C 13 33.532 0.060 . 1 . . . A 7 GLN CG . 18445 1 47 . 1 1 7 7 LYS H H 1 8.088 0.003 . 1 . . . A 8 LYS H . 18445 1 48 . 1 1 7 7 LYS HA H 1 3.451 0.007 . 1 . . . A 8 LYS HA . 18445 1 49 . 1 1 7 7 LYS HB2 H 1 1.308 0.012 . 2 . . . A 8 LYS HB2 . 18445 1 50 . 1 1 7 7 LYS HB3 H 1 1.774 0.004 . 2 . . . A 8 LYS HB3 . 18445 1 51 . 1 1 7 7 LYS HG2 H 1 0.950 0.010 . 2 . . . A 8 LYS HG2 . 18445 1 52 . 1 1 7 7 LYS HG3 H 1 1.081 0.004 . 2 . . . A 8 LYS HG3 . 18445 1 53 . 1 1 7 7 LYS HD2 H 1 1.341 0.006 . 2 . . . A 8 LYS HD2 . 18445 1 54 . 1 1 7 7 LYS HD3 H 1 1.609 0.002 . 2 . . . A 8 LYS HD3 . 18445 1 55 . 1 1 7 7 LYS HE2 H 1 2.634 0.002 . 2 . . . A 8 LYS HE2 . 18445 1 56 . 1 1 7 7 LYS HE3 H 1 2.757 0.004 . 2 . . . A 8 LYS HE3 . 18445 1 57 . 1 1 7 7 LYS CA C 13 59.742 0.000 . 1 . . . A 8 LYS CA . 18445 1 58 . 1 1 7 7 LYS CB C 13 31.094 0.058 . 1 . . . A 8 LYS CB . 18445 1 59 . 1 1 7 7 LYS CG C 13 23.008 0.054 . 1 . . . A 8 LYS CG . 18445 1 60 . 1 1 7 7 LYS CD C 13 28.764 0.046 . 1 . . . A 8 LYS CD . 18445 1 61 . 1 1 7 7 LYS CE C 13 40.636 0.036 . 1 . . . A 8 LYS CE . 18445 1 62 . 1 1 8 8 GLU H H 1 8.082 0.006 . 1 . . . A 9 GLU H . 18445 1 63 . 1 1 8 8 GLU HA H 1 3.885 0.003 . 1 . . . A 9 GLU HA . 18445 1 64 . 1 1 8 8 GLU HB2 H 1 1.930 0.005 . 2 . . . A 9 GLU HB2 . 18445 1 65 . 1 1 8 8 GLU HB3 H 1 1.930 0.005 . 2 . . . A 9 GLU HB3 . 18445 1 66 . 1 1 8 8 GLU HG2 H 1 2.159 0.025 . 2 . . . A 9 GLU HG2 . 18445 1 67 . 1 1 8 8 GLU HG3 H 1 2.159 0.025 . 2 . . . A 9 GLU HG3 . 18445 1 68 . 1 1 8 8 GLU CA C 13 58.412 0.024 . 1 . . . A 9 GLU CA . 18445 1 69 . 1 1 8 8 GLU CB C 13 28.592 0.050 . 1 . . . A 9 GLU CB . 18445 1 70 . 1 1 8 8 GLU CG C 13 35.409 0.003 . 1 . . . A 9 GLU CG . 18445 1 71 . 1 1 9 9 GLN H H 1 8.115 0.003 . 1 . . . A 10 GLN H . 18445 1 72 . 1 1 9 9 GLN HA H 1 3.936 0.002 . 1 . . . A 10 GLN HA . 18445 1 73 . 1 1 9 9 GLN HB2 H 1 1.933 0.002 . 2 . . . A 10 GLN HB2 . 18445 1 74 . 1 1 9 9 GLN HB3 H 1 1.933 0.002 . 2 . . . A 10 GLN HB3 . 18445 1 75 . 1 1 9 9 GLN HG2 H 1 2.179 0.002 . 2 . . . A 10 GLN HG2 . 18445 1 76 . 1 1 9 9 GLN HG3 H 1 2.222 0.003 . 2 . . . A 10 GLN HG3 . 18445 1 77 . 1 1 9 9 GLN HE21 H 1 6.942 0.002 . 2 . . . A 10 GLN HE21 . 18445 1 78 . 1 1 9 9 GLN HE22 H 1 6.630 0.001 . 2 . . . A 10 GLN HE22 . 18445 1 79 . 1 1 9 9 GLN CA C 13 58.261 0.004 . 1 . . . A 10 GLN CA . 18445 1 80 . 1 1 9 9 GLN CB C 13 27.478 0.007 . 1 . . . A 10 GLN CB . 18445 1 81 . 1 1 9 9 GLN CG C 13 32.992 0.022 . 1 . . . A 10 GLN CG . 18445 1 82 . 1 1 10 10 GLY H H 1 8.306 0.000 . 1 . . . A 11 GLY H . 18445 1 83 . 1 1 10 10 GLY HA2 H 1 3.045 0.008 . 1 . . . A 11 GLY HA2 . 18445 1 84 . 1 1 10 10 GLY HA3 H 1 3.242 0.004 . 2 . . . A 11 GLY HA3 . 18445 1 85 . 1 1 10 10 GLY CA C 13 47.285 0.053 . 1 . . . A 11 GLY CA . 18445 1 86 . 1 1 11 11 ASN H H 1 8.516 0.002 . 1 . . . A 12 ASN H . 18445 1 87 . 1 1 11 11 ASN HA H 1 4.344 0.004 . 1 . . . A 12 ASN HA . 18445 1 88 . 1 1 11 11 ASN HB2 H 1 2.690 0.005 . 2 . . . A 12 ASN HB2 . 18445 1 89 . 1 1 11 11 ASN HB3 H 1 2.881 0.002 . 2 . . . A 12 ASN HB3 . 18445 1 90 . 1 1 11 11 ASN HD21 H 1 7.578 0.004 . 2 . . . A 12 ASN HD21 . 18445 1 91 . 1 1 11 11 ASN HD22 H 1 6.708 0.000 . 2 . . . A 12 ASN HD22 . 18445 1 92 . 1 1 11 11 ASN CA C 13 54.928 0.032 . 1 . . . A 12 ASN CA . 18445 1 93 . 1 1 11 11 ASN CB C 13 36.428 0.052 . 1 . . . A 12 ASN CB . 18445 1 94 . 1 1 12 12 SER H H 1 8.292 0.002 . 1 . . . A 13 SER H . 18445 1 95 . 1 1 12 12 SER HA H 1 4.071 0.008 . 1 . . . A 13 SER HA . 18445 1 96 . 1 1 12 12 SER HB2 H 1 3.839 0.003 . 2 . . . A 13 SER HB2 . 18445 1 97 . 1 1 12 12 SER HB3 H 1 3.839 0.003 . 2 . . . A 13 SER HB3 . 18445 1 98 . 1 1 12 12 SER CA C 13 61.067 0.015 . 1 . . . A 13 SER CA . 18445 1 99 . 1 1 12 12 SER CB C 13 62.038 0.014 . 1 . . . A 13 SER CB . 18445 1 100 . 1 1 13 13 LEU H H 1 7.906 0.006 . 1 . . . A 14 LEU H . 18445 1 101 . 1 1 13 13 LEU HA H 1 3.789 0.010 . 1 . . . A 14 LEU HA . 18445 1 102 . 1 1 13 13 LEU HB2 H 1 1.374 0.024 . 2 . . . A 14 LEU HB2 . 18445 1 103 . 1 1 13 13 LEU HB3 H 1 1.623 0.007 . 2 . . . A 14 LEU HB3 . 18445 1 104 . 1 1 13 13 LEU HG H 1 1.898 0.000 . 1 . . . A 14 LEU HG . 18445 1 105 . 1 1 13 13 LEU HD11 H 1 0.632 0.000 . 1 . . . A 14 LEU HD11 . 18445 1 106 . 1 1 13 13 LEU HD12 H 1 0.632 0.000 . 1 . . . A 14 LEU HD12 . 18445 1 107 . 1 1 13 13 LEU HD13 H 1 0.632 0.000 . 1 . . . A 14 LEU HD13 . 18445 1 108 . 1 1 13 13 LEU HD21 H 1 0.626 0.000 . 1 . . . A 14 LEU HD21 . 18445 1 109 . 1 1 13 13 LEU HD22 H 1 0.626 0.000 . 1 . . . A 14 LEU HD22 . 18445 1 110 . 1 1 13 13 LEU HD23 H 1 0.626 0.000 . 1 . . . A 14 LEU HD23 . 18445 1 111 . 1 1 13 13 LEU CA C 13 57.578 0.078 . 1 . . . A 14 LEU CA . 18445 1 112 . 1 1 13 13 LEU CB C 13 40.268 0.085 . 1 . . . A 14 LEU CB . 18445 1 113 . 1 1 13 13 LEU CG C 13 31.890 0.000 . 1 . . . A 14 LEU CG . 18445 1 114 . 1 1 13 13 LEU CD1 C 13 22.476 0.000 . 2 . . . A 14 LEU CD1 . 18445 1 115 . 1 1 13 13 LEU CD2 C 13 22.506 0.000 . 2 . . . A 14 LEU CD2 . 18445 1 116 . 1 1 14 14 PHE H H 1 8.761 0.002 . 1 . . . A 15 PHE H . 18445 1 117 . 1 1 14 14 PHE HA H 1 3.452 0.005 . 1 . . . A 15 PHE HA . 18445 1 118 . 1 1 14 14 PHE HB2 H 1 3.027 0.007 . 2 . . . A 15 PHE HB2 . 18445 1 119 . 1 1 14 14 PHE HB3 H 1 3.366 0.006 . 2 . . . A 15 PHE HB3 . 18445 1 120 . 1 1 14 14 PHE HD1 H 1 7.046 0.020 . 3 . . . A 15 PHE HD1 . 18445 1 121 . 1 1 14 14 PHE HD2 H 1 7.046 0.020 . 3 . . . A 15 PHE HD2 . 18445 1 122 . 1 1 14 14 PHE HE1 H 1 7.040 0.005 . 3 . . . A 15 PHE HE1 . 18445 1 123 . 1 1 14 14 PHE HE2 H 1 7.040 0.005 . 3 . . . A 15 PHE HE2 . 18445 1 124 . 1 1 14 14 PHE HZ H 1 7.110 0.002 . 1 . . . A 15 PHE HZ . 18445 1 125 . 1 1 14 14 PHE CA C 13 61.929 0.000 . 1 . . . A 15 PHE CA . 18445 1 126 . 1 1 14 14 PHE CB C 13 39.374 0.064 . 1 . . . A 15 PHE CB . 18445 1 127 . 1 1 15 15 LYS H H 1 8.283 0.003 . 1 . . . A 16 LYS H . 18445 1 128 . 1 1 15 15 LYS HA H 1 3.830 0.006 . 1 . . . A 16 LYS HA . 18445 1 129 . 1 1 15 15 LYS HB2 H 1 1.882 0.004 . 2 . . . A 16 LYS HB2 . 18445 1 130 . 1 1 15 15 LYS HB3 H 1 1.882 0.004 . 2 . . . A 16 LYS HB3 . 18445 1 131 . 1 1 15 15 LYS HG2 H 1 1.426 0.007 . 2 . . . A 16 LYS HG2 . 18445 1 132 . 1 1 15 15 LYS HG3 H 1 1.565 0.002 . 2 . . . A 16 LYS HG3 . 18445 1 133 . 1 1 15 15 LYS HD2 H 1 1.563 0.003 . 2 . . . A 16 LYS HD2 . 18445 1 134 . 1 1 15 15 LYS HD3 H 1 1.563 0.003 . 2 . . . A 16 LYS HD3 . 18445 1 135 . 1 1 15 15 LYS HE2 H 1 2.801 0.003 . 2 . . . A 16 LYS HE2 . 18445 1 136 . 1 1 15 15 LYS HE3 H 1 2.801 0.003 . 2 . . . A 16 LYS HE3 . 18445 1 137 . 1 1 15 15 LYS CA C 13 58.832 0.022 . 1 . . . A 16 LYS CA . 18445 1 138 . 1 1 15 15 LYS CB C 13 31.824 0.044 . 1 . . . A 16 LYS CB . 18445 1 139 . 1 1 15 15 LYS CG C 13 25.009 0.047 . 1 . . . A 16 LYS CG . 18445 1 140 . 1 1 15 15 LYS CD C 13 28.827 0.053 . 1 . . . A 16 LYS CD . 18445 1 141 . 1 1 15 15 LYS CE C 13 41.451 0.031 . 1 . . . A 16 LYS CE . 18445 1 142 . 1 1 16 16 GLN H H 1 7.205 0.004 . 1 . . . A 17 GLN H . 18445 1 143 . 1 1 16 16 GLN HA H 1 4.016 0.003 . 1 . . . A 17 GLN HA . 18445 1 144 . 1 1 16 16 GLN HB2 H 1 1.836 0.004 . 2 . . . A 17 GLN HB2 . 18445 1 145 . 1 1 16 16 GLN HB3 H 1 2.012 0.003 . 2 . . . A 17 GLN HB3 . 18445 1 146 . 1 1 16 16 GLN HG2 H 1 2.141 0.002 . 2 . . . A 17 GLN HG2 . 18445 1 147 . 1 1 16 16 GLN HG3 H 1 2.343 0.002 . 2 . . . A 17 GLN HG3 . 18445 1 148 . 1 1 16 16 GLN HE21 H 1 7.434 0.007 . 2 . . . A 17 GLN HE21 . 18445 1 149 . 1 1 16 16 GLN HE22 H 1 6.794 0.000 . 2 . . . A 17 GLN HE22 . 18445 1 150 . 1 1 16 16 GLN CA C 13 55.409 0.000 . 1 . . . A 17 GLN CA . 18445 1 151 . 1 1 16 16 GLN CB C 13 29.972 0.023 . 1 . . . A 17 GLN CB . 18445 1 152 . 1 1 16 16 GLN CG C 13 33.901 0.091 . 1 . . . A 17 GLN CG . 18445 1 153 . 1 1 17 17 GLY H H 1 7.432 0.001 . 1 . . . A 18 GLY H . 18445 1 154 . 1 1 17 17 GLY HA2 H 1 2.478 0.002 . 1 . . . A 18 GLY HA2 . 18445 1 155 . 1 1 17 17 GLY HA3 H 1 3.556 0.001 . 2 . . . A 18 GLY HA3 . 18445 1 156 . 1 1 17 17 GLY CA C 13 43.590 0.009 . 1 . . . A 18 GLY CA . 18445 1 157 . 1 1 18 18 LEU H H 1 7.400 0.003 . 1 . . . A 19 LEU H . 18445 1 158 . 1 1 18 18 LEU HA H 1 4.140 0.002 . 1 . . . A 19 LEU HA . 18445 1 159 . 1 1 18 18 LEU HB2 H 1 1.262 0.006 . 2 . . . A 19 LEU HB2 . 18445 1 160 . 1 1 18 18 LEU HB3 H 1 1.343 0.005 . 2 . . . A 19 LEU HB3 . 18445 1 161 . 1 1 18 18 LEU HG H 1 1.032 0.003 . 1 . . . A 19 LEU HG . 18445 1 162 . 1 1 18 18 LEU HD11 H 1 0.477 0.004 . 1 . . . A 19 LEU HD11 . 18445 1 163 . 1 1 18 18 LEU HD12 H 1 0.477 0.004 . 1 . . . A 19 LEU HD12 . 18445 1 164 . 1 1 18 18 LEU HD13 H 1 0.477 0.004 . 1 . . . A 19 LEU HD13 . 18445 1 165 . 1 1 18 18 LEU HD21 H 1 0.552 0.001 . 1 . . . A 19 LEU HD21 . 18445 1 166 . 1 1 18 18 LEU HD22 H 1 0.552 0.001 . 1 . . . A 19 LEU HD22 . 18445 1 167 . 1 1 18 18 LEU HD23 H 1 0.552 0.001 . 1 . . . A 19 LEU HD23 . 18445 1 168 . 1 1 18 18 LEU CA C 13 51.818 0.021 . 1 . . . A 19 LEU CA . 18445 1 169 . 1 1 18 18 LEU CB C 13 38.032 0.030 . 1 . . . A 19 LEU CB . 18445 1 170 . 1 1 18 18 LEU CG C 13 25.911 0.012 . 1 . . . A 19 LEU CG . 18445 1 171 . 1 1 18 18 LEU CD1 C 13 22.419 0.012 . 2 . . . A 19 LEU CD1 . 18445 1 172 . 1 1 18 18 LEU CD2 C 13 25.411 0.033 . 2 . . . A 19 LEU CD2 . 18445 1 173 . 1 1 19 19 TYR H H 1 6.471 0.001 . 1 . . . A 20 TYR H . 18445 1 174 . 1 1 19 19 TYR HA H 1 3.874 0.010 . 1 . . . A 20 TYR HA . 18445 1 175 . 1 1 19 19 TYR HB2 H 1 2.511 0.008 . 2 . . . A 20 TYR HB2 . 18445 1 176 . 1 1 19 19 TYR HB3 H 1 2.976 0.011 . 2 . . . A 20 TYR HB3 . 18445 1 177 . 1 1 19 19 TYR HD1 H 1 6.667 0.011 . 3 . . . A 20 TYR HD1 . 18445 1 178 . 1 1 19 19 TYR HD2 H 1 6.667 0.011 . 3 . . . A 20 TYR HD2 . 18445 1 179 . 1 1 19 19 TYR HE1 H 1 6.049 0.007 . 3 . . . A 20 TYR HE1 . 18445 1 180 . 1 1 19 19 TYR HE2 H 1 6.049 0.007 . 3 . . . A 20 TYR HE2 . 18445 1 181 . 1 1 19 19 TYR CA C 13 60.991 0.024 . 1 . . . A 20 TYR CA . 18445 1 182 . 1 1 19 19 TYR CB C 13 37.343 0.048 . 1 . . . A 20 TYR CB . 18445 1 183 . 1 1 20 20 ARG H H 1 8.824 0.002 . 1 . . . A 21 ARG H . 18445 1 184 . 1 1 20 20 ARG HA H 1 3.649 0.005 . 1 . . . A 21 ARG HA . 18445 1 185 . 1 1 20 20 ARG HB2 H 1 1.567 0.000 . 2 . . . A 21 ARG HB2 . 18445 1 186 . 1 1 20 20 ARG HB3 H 1 1.681 0.000 . 2 . . . A 21 ARG HB3 . 18445 1 187 . 1 1 20 20 ARG HG2 H 1 1.507 0.001 . 2 . . . A 21 ARG HG2 . 18445 1 188 . 1 1 20 20 ARG HG3 H 1 1.507 0.001 . 2 . . . A 21 ARG HG3 . 18445 1 189 . 1 1 20 20 ARG HD2 H 1 2.964 0.003 . 2 . . . A 21 ARG HD2 . 18445 1 190 . 1 1 20 20 ARG HD3 H 1 2.964 0.003 . 2 . . . A 21 ARG HD3 . 18445 1 191 . 1 1 20 20 ARG CA C 13 58.639 0.000 . 1 . . . A 21 ARG CA . 18445 1 192 . 1 1 20 20 ARG CB C 13 27.920 0.065 . 1 . . . A 21 ARG CB . 18445 1 193 . 1 1 20 20 ARG CG C 13 26.474 0.000 . 1 . . . A 21 ARG CG . 18445 1 194 . 1 1 20 20 ARG CD C 13 41.797 0.024 . 1 . . . A 21 ARG CD . 18445 1 195 . 1 1 21 21 GLU H H 1 9.162 0.001 . 1 . . . A 22 GLU H . 18445 1 196 . 1 1 21 21 GLU HA H 1 3.723 0.002 . 1 . . . A 22 GLU HA . 18445 1 197 . 1 1 21 21 GLU HB2 H 1 1.786 0.006 . 2 . . . A 22 GLU HB2 . 18445 1 198 . 1 1 21 21 GLU HB3 H 1 1.786 0.006 . 2 . . . A 22 GLU HB3 . 18445 1 199 . 1 1 21 21 GLU HG2 H 1 2.019 0.003 . 2 . . . A 22 GLU HG2 . 18445 1 200 . 1 1 21 21 GLU HG3 H 1 2.253 0.004 . 2 . . . A 22 GLU HG3 . 18445 1 201 . 1 1 21 21 GLU CA C 13 59.653 0.023 . 1 . . . A 22 GLU CA . 18445 1 202 . 1 1 21 21 GLU CB C 13 27.626 0.000 . 1 . . . A 22 GLU CB . 18445 1 203 . 1 1 21 21 GLU CG C 13 36.580 0.068 . 1 . . . A 22 GLU CG . 18445 1 204 . 1 1 22 22 ALA H H 1 8.175 0.001 . 1 . . . A 23 ALA H . 18445 1 205 . 1 1 22 22 ALA HA H 1 3.502 0.007 . 1 . . . A 23 ALA HA . 18445 1 206 . 1 1 22 22 ALA HB1 H 1 1.312 0.001 . 1 . . . A 23 ALA HB1 . 18445 1 207 . 1 1 22 22 ALA HB2 H 1 1.312 0.001 . 1 . . . A 23 ALA HB2 . 18445 1 208 . 1 1 22 22 ALA HB3 H 1 1.312 0.001 . 1 . . . A 23 ALA HB3 . 18445 1 209 . 1 1 22 22 ALA CA C 13 55.223 0.028 . 1 . . . A 23 ALA CA . 18445 1 210 . 1 1 22 22 ALA CB C 13 16.661 0.005 . 1 . . . A 23 ALA CB . 18445 1 211 . 1 1 23 23 VAL H H 1 8.104 0.001 . 1 . . . A 24 VAL H . 18445 1 212 . 1 1 23 23 VAL HA H 1 3.131 0.004 . 1 . . . A 24 VAL HA . 18445 1 213 . 1 1 23 23 VAL HB H 1 2.171 0.002 . 1 . . . A 24 VAL HB . 18445 1 214 . 1 1 23 23 VAL HG11 H 1 0.964 0.005 . 1 . . . A 24 VAL HG11 . 18445 1 215 . 1 1 23 23 VAL HG12 H 1 0.964 0.005 . 1 . . . A 24 VAL HG12 . 18445 1 216 . 1 1 23 23 VAL HG13 H 1 0.964 0.005 . 1 . . . A 24 VAL HG13 . 18445 1 217 . 1 1 23 23 VAL HG21 H 1 0.728 0.004 . 1 . . . A 24 VAL HG21 . 18445 1 218 . 1 1 23 23 VAL HG22 H 1 0.728 0.004 . 1 . . . A 24 VAL HG22 . 18445 1 219 . 1 1 23 23 VAL HG23 H 1 0.728 0.004 . 1 . . . A 24 VAL HG23 . 18445 1 220 . 1 1 23 23 VAL CA C 13 67.992 0.014 . 1 . . . A 24 VAL CA . 18445 1 221 . 1 1 23 23 VAL CB C 13 30.527 0.015 . 1 . . . A 24 VAL CB . 18445 1 222 . 1 1 23 23 VAL CG1 C 13 24.545 0.015 . 2 . . . A 24 VAL CG1 . 18445 1 223 . 1 1 23 23 VAL CG2 C 13 21.550 0.045 . 2 . . . A 24 VAL CG2 . 18445 1 224 . 1 1 24 24 HIS H H 1 7.151 0.002 . 1 . . . A 25 HIS H . 18445 1 225 . 1 1 24 24 HIS HA H 1 4.250 0.010 . 1 . . . A 25 HIS HA . 18445 1 226 . 1 1 24 24 HIS HB2 H 1 2.971 0.007 . 2 . . . A 25 HIS HB2 . 18445 1 227 . 1 1 24 24 HIS HB3 H 1 3.052 0.000 . 2 . . . A 25 HIS HB3 . 18445 1 228 . 1 1 24 24 HIS HD2 H 1 6.801 0.007 . 1 . . . A 25 HIS HD2 . 18445 1 229 . 1 1 24 24 HIS HE1 H 1 7.529 0.002 . 1 . . . A 25 HIS HE1 . 18445 1 230 . 1 1 24 24 HIS CA C 13 59.103 0.000 . 1 . . . A 25 HIS CA . 18445 1 231 . 1 1 24 24 HIS CB C 13 29.241 0.042 . 1 . . . A 25 HIS CB . 18445 1 232 . 1 1 25 25 CYS H H 1 7.127 0.004 . 1 . . . A 26 CYS H . 18445 1 233 . 1 1 25 25 CYS HA H 1 3.869 0.002 . 1 . . . A 26 CYS HA . 18445 1 234 . 1 1 25 25 CYS HB2 H 1 2.396 0.002 . 2 . . . A 26 CYS HB2 . 18445 1 235 . 1 1 25 25 CYS HB3 H 1 2.545 0.002 . 2 . . . A 26 CYS HB3 . 18445 1 236 . 1 1 25 25 CYS CA C 13 62.417 0.022 . 1 . . . A 26 CYS CA . 18445 1 237 . 1 1 25 25 CYS CB C 13 25.995 0.088 . 1 . . . A 26 CYS CB . 18445 1 238 . 1 1 26 26 TYR H H 1 8.349 0.007 . 1 . . . A 27 TYR H . 18445 1 239 . 1 1 26 26 TYR HA H 1 4.278 0.010 . 1 . . . A 27 TYR HA . 18445 1 240 . 1 1 26 26 TYR HB2 H 1 2.566 0.013 . 2 . . . A 27 TYR HB2 . 18445 1 241 . 1 1 26 26 TYR HB3 H 1 3.047 0.012 . 2 . . . A 27 TYR HB3 . 18445 1 242 . 1 1 26 26 TYR HD1 H 1 6.480 0.011 . 3 . . . A 27 TYR HD1 . 18445 1 243 . 1 1 26 26 TYR HD2 H 1 6.480 0.011 . 3 . . . A 27 TYR HD2 . 18445 1 244 . 1 1 26 26 TYR HE1 H 1 6.411 0.006 . 3 . . . A 27 TYR HE1 . 18445 1 245 . 1 1 26 26 TYR HE2 H 1 6.411 0.006 . 3 . . . A 27 TYR HE2 . 18445 1 246 . 1 1 26 26 TYR CA C 13 57.449 0.000 . 1 . . . A 27 TYR CA . 18445 1 247 . 1 1 26 26 TYR CB C 13 35.722 0.059 . 1 . . . A 27 TYR CB . 18445 1 248 . 1 1 27 27 ASP H H 1 9.039 0.002 . 1 . . . A 28 ASP H . 18445 1 249 . 1 1 27 27 ASP HA H 1 4.281 0.007 . 1 . . . A 28 ASP HA . 18445 1 250 . 1 1 27 27 ASP HB2 H 1 2.299 0.002 . 2 . . . A 28 ASP HB2 . 18445 1 251 . 1 1 27 27 ASP HB3 H 1 2.607 0.003 . 2 . . . A 28 ASP HB3 . 18445 1 252 . 1 1 27 27 ASP CA C 13 57.195 0.020 . 1 . . . A 28 ASP CA . 18445 1 253 . 1 1 27 27 ASP CB C 13 39.993 0.013 . 1 . . . A 28 ASP CB . 18445 1 254 . 1 1 28 28 GLN H H 1 7.158 0.006 . 1 . . . A 29 GLN H . 18445 1 255 . 1 1 28 28 GLN HA H 1 3.828 0.000 . 1 . . . A 29 GLN HA . 18445 1 256 . 1 1 28 28 GLN HB2 H 1 1.875 0.000 . 2 . . . A 29 GLN HB2 . 18445 1 257 . 1 1 28 28 GLN HB3 H 1 2.080 0.000 . 2 . . . A 29 GLN HB3 . 18445 1 258 . 1 1 28 28 GLN HG2 H 1 2.182 0.003 . 2 . . . A 29 GLN HG2 . 18445 1 259 . 1 1 28 28 GLN HG3 H 1 2.349 0.003 . 2 . . . A 29 GLN HG3 . 18445 1 260 . 1 1 28 28 GLN HE21 H 1 6.648 0.000 . 2 . . . A 29 GLN HE21 . 18445 1 261 . 1 1 28 28 GLN HE22 H 1 6.789 0.000 . 2 . . . A 29 GLN HE22 . 18445 1 262 . 1 1 28 28 GLN CA C 13 57.354 0.000 . 1 . . . A 29 GLN CA . 18445 1 263 . 1 1 28 28 GLN CB C 13 27.411 0.116 . 1 . . . A 29 GLN CB . 18445 1 264 . 1 1 28 28 GLN CG C 13 33.220 0.036 . 1 . . . A 29 GLN CG . 18445 1 265 . 1 1 29 29 LEU H H 1 7.275 0.006 . 1 . . . A 30 LEU H . 18445 1 266 . 1 1 29 29 LEU HA H 1 3.793 0.004 . 1 . . . A 30 LEU HA . 18445 1 267 . 1 1 29 29 LEU HB2 H 1 1.203 0.006 . 2 . . . A 30 LEU HB2 . 18445 1 268 . 1 1 29 29 LEU HB3 H 1 1.954 0.004 . 2 . . . A 30 LEU HB3 . 18445 1 269 . 1 1 29 29 LEU HG H 1 1.544 0.012 . 1 . . . A 30 LEU HG . 18445 1 270 . 1 1 29 29 LEU HD11 H 1 -0.248 0.001 . 1 . . . A 30 LEU HD11 . 18445 1 271 . 1 1 29 29 LEU HD12 H 1 -0.248 0.001 . 1 . . . A 30 LEU HD12 . 18445 1 272 . 1 1 29 29 LEU HD13 H 1 -0.248 0.001 . 1 . . . A 30 LEU HD13 . 18445 1 273 . 1 1 29 29 LEU HD21 H 1 0.433 0.006 . 1 . . . A 30 LEU HD21 . 18445 1 274 . 1 1 29 29 LEU HD22 H 1 0.433 0.006 . 1 . . . A 30 LEU HD22 . 18445 1 275 . 1 1 29 29 LEU HD23 H 1 0.433 0.006 . 1 . . . A 30 LEU HD23 . 18445 1 276 . 1 1 29 29 LEU CA C 13 56.887 0.061 . 1 . . . A 30 LEU CA . 18445 1 277 . 1 1 29 29 LEU CB C 13 39.013 0.039 . 1 . . . A 30 LEU CB . 18445 1 278 . 1 1 29 29 LEU CG C 13 25.515 0.000 . 1 . . . A 30 LEU CG . 18445 1 279 . 1 1 29 29 LEU CD1 C 13 21.073 0.025 . 2 . . . A 30 LEU CD1 . 18445 1 280 . 1 1 29 29 LEU CD2 C 13 25.290 0.087 . 2 . . . A 30 LEU CD2 . 18445 1 281 . 1 1 30 30 ILE H H 1 7.116 0.004 . 1 . . . A 31 ILE H . 18445 1 282 . 1 1 30 30 ILE HA H 1 3.123 0.004 . 1 . . . A 31 ILE HA . 18445 1 283 . 1 1 30 30 ILE HB H 1 1.450 0.005 . 1 . . . A 31 ILE HB . 18445 1 284 . 1 1 30 30 ILE HG12 H 1 -0.555 0.005 . 2 . . . A 31 ILE HG12 . 18445 1 285 . 1 1 30 30 ILE HG13 H 1 1.002 0.005 . 2 . . . A 31 ILE HG13 . 18445 1 286 . 1 1 30 30 ILE HG21 H 1 0.437 0.003 . 1 . . . A 31 ILE HG21 . 18445 1 287 . 1 1 30 30 ILE HG22 H 1 0.437 0.003 . 1 . . . A 31 ILE HG22 . 18445 1 288 . 1 1 30 30 ILE HG23 H 1 0.437 0.003 . 1 . . . A 31 ILE HG23 . 18445 1 289 . 1 1 30 30 ILE HD11 H 1 0.273 0.005 . 1 . . . A 31 ILE HD11 . 18445 1 290 . 1 1 30 30 ILE HD12 H 1 0.273 0.005 . 1 . . . A 31 ILE HD12 . 18445 1 291 . 1 1 30 30 ILE HD13 H 1 0.273 0.005 . 1 . . . A 31 ILE HD13 . 18445 1 292 . 1 1 30 30 ILE CA C 13 64.236 0.018 . 1 . . . A 31 ILE CA . 18445 1 293 . 1 1 30 30 ILE CB C 13 37.988 0.039 . 1 . . . A 31 ILE CB . 18445 1 294 . 1 1 30 30 ILE CG1 C 13 28.266 0.031 . 1 . . . A 31 ILE CG1 . 18445 1 295 . 1 1 30 30 ILE CG2 C 13 16.331 0.022 . 1 . . . A 31 ILE CG2 . 18445 1 296 . 1 1 30 30 ILE CD1 C 13 15.140 0.013 . 1 . . . A 31 ILE CD1 . 18445 1 297 . 1 1 31 31 THR H H 1 7.612 0.001 . 1 . . . A 32 THR H . 18445 1 298 . 1 1 31 31 THR HA H 1 3.595 0.000 . 1 . . . A 32 THR HA . 18445 1 299 . 1 1 31 31 THR HB H 1 3.840 0.001 . 1 . . . A 32 THR HB . 18445 1 300 . 1 1 31 31 THR HG21 H 1 0.991 0.000 . 1 . . . A 32 THR HG21 . 18445 1 301 . 1 1 31 31 THR HG22 H 1 0.991 0.000 . 1 . . . A 32 THR HG22 . 18445 1 302 . 1 1 31 31 THR HG23 H 1 0.991 0.000 . 1 . . . A 32 THR HG23 . 18445 1 303 . 1 1 31 31 THR CA C 13 65.195 0.001 . 1 . . . A 32 THR CA . 18445 1 304 . 1 1 31 31 THR CB C 13 68.221 0.002 . 1 . . . A 32 THR CB . 18445 1 305 . 1 1 31 31 THR CG2 C 13 21.286 0.006 . 1 . . . A 32 THR CG2 . 18445 1 306 . 1 1 32 32 ALA H H 1 7.474 0.001 . 1 . . . A 33 ALA H . 18445 1 307 . 1 1 32 32 ALA HA H 1 4.014 0.001 . 1 . . . A 33 ALA HA . 18445 1 308 . 1 1 32 32 ALA HB1 H 1 1.519 0.000 . 1 . . . A 33 ALA HB1 . 18445 1 309 . 1 1 32 32 ALA HB2 H 1 1.519 0.000 . 1 . . . A 33 ALA HB2 . 18445 1 310 . 1 1 32 32 ALA HB3 H 1 1.519 0.000 . 1 . . . A 33 ALA HB3 . 18445 1 311 . 1 1 32 32 ALA CA C 13 54.048 0.148 . 1 . . . A 33 ALA CA . 18445 1 312 . 1 1 32 32 ALA CB C 13 19.326 0.004 . 1 . . . A 33 ALA CB . 18445 1 313 . 1 1 33 33 GLN H H 1 7.800 0.007 . 1 . . . A 34 GLN H . 18445 1 314 . 1 1 33 33 GLN HA H 1 4.608 0.002 . 1 . . . A 34 GLN HA . 18445 1 315 . 1 1 33 33 GLN HB2 H 1 1.769 0.000 . 2 . . . A 34 GLN HB2 . 18445 1 316 . 1 1 33 33 GLN HB3 H 1 1.860 0.002 . 2 . . . A 34 GLN HB3 . 18445 1 317 . 1 1 33 33 GLN HG2 H 1 1.888 0.005 . 2 . . . A 34 GLN HG2 . 18445 1 318 . 1 1 33 33 GLN HG3 H 1 2.056 0.001 . 2 . . . A 34 GLN HG3 . 18445 1 319 . 1 1 33 33 GLN HE21 H 1 6.105 0.000 . 2 . . . A 34 GLN HE21 . 18445 1 320 . 1 1 33 33 GLN HE22 H 1 6.951 0.000 . 2 . . . A 34 GLN HE22 . 18445 1 321 . 1 1 33 33 GLN CB C 13 29.500 0.000 . 1 . . . A 34 GLN CB . 18445 1 322 . 1 1 33 33 GLN CG C 13 32.731 0.079 . 1 . . . A 34 GLN CG . 18445 1 323 . 1 1 34 34 PRO HA H 1 4.579 0.020 . 1 . . . A 35 PRO HA . 18445 1 324 . 1 1 34 34 PRO HB2 H 1 1.731 0.011 . 2 . . . A 35 PRO HB2 . 18445 1 325 . 1 1 34 34 PRO HB3 H 1 2.255 0.003 . 2 . . . A 35 PRO HB3 . 18445 1 326 . 1 1 34 34 PRO HG2 H 1 1.664 0.003 . 2 . . . A 35 PRO HG2 . 18445 1 327 . 1 1 34 34 PRO HG3 H 1 1.898 0.004 . 2 . . . A 35 PRO HG3 . 18445 1 328 . 1 1 34 34 PRO HD2 H 1 3.222 0.002 . 2 . . . A 35 PRO HD2 . 18445 1 329 . 1 1 34 34 PRO HD3 H 1 3.368 0.005 . 2 . . . A 35 PRO HD3 . 18445 1 330 . 1 1 34 34 PRO CA C 13 63.794 0.055 . 1 . . . A 35 PRO CA . 18445 1 331 . 1 1 34 34 PRO CB C 13 31.466 0.026 . 1 . . . A 35 PRO CB . 18445 1 332 . 1 1 34 34 PRO CG C 13 26.441 0.061 . 1 . . . A 35 PRO CG . 18445 1 333 . 1 1 34 34 PRO CD C 13 49.308 0.046 . 1 . . . A 35 PRO CD . 18445 1 334 . 1 1 35 35 GLN H H 1 8.157 0.002 . 1 . . . A 36 GLN H . 18445 1 335 . 1 1 35 35 GLN HA H 1 3.074 0.002 . 1 . . . A 36 GLN HA . 18445 1 336 . 1 1 35 35 GLN HB2 H 1 1.494 0.002 . 2 . . . A 36 GLN HB2 . 18445 1 337 . 1 1 35 35 GLN HB3 H 1 1.727 0.002 . 2 . . . A 36 GLN HB3 . 18445 1 338 . 1 1 35 35 GLN HG2 H 1 1.824 0.001 . 2 . . . A 36 GLN HG2 . 18445 1 339 . 1 1 35 35 GLN HG3 H 1 1.824 0.001 . 2 . . . A 36 GLN HG3 . 18445 1 340 . 1 1 35 35 GLN HE21 H 1 7.244 0.000 . 2 . . . A 36 GLN HE21 . 18445 1 341 . 1 1 35 35 GLN HE22 H 1 6.712 0.000 . 2 . . . A 36 GLN HE22 . 18445 1 342 . 1 1 35 35 GLN CA C 13 53.509 0.000 . 1 . . . A 36 GLN CA . 18445 1 343 . 1 1 35 35 GLN CB C 13 26.480 0.013 . 1 . . . A 36 GLN CB . 18445 1 344 . 1 1 35 35 GLN CG C 13 33.564 0.016 . 1 . . . A 36 GLN CG . 18445 1 345 . 1 1 36 36 ASN H H 1 7.607 0.002 . 1 . . . A 37 ASN H . 18445 1 346 . 1 1 36 36 ASN HA H 1 4.894 0.006 . 1 . . . A 37 ASN HA . 18445 1 347 . 1 1 36 36 ASN HB2 H 1 2.515 0.004 . 2 . . . A 37 ASN HB2 . 18445 1 348 . 1 1 36 36 ASN HB3 H 1 3.416 0.008 . 2 . . . A 37 ASN HB3 . 18445 1 349 . 1 1 36 36 ASN HD21 H 1 6.759 0.000 . 2 . . . A 37 ASN HD21 . 18445 1 350 . 1 1 36 36 ASN HD22 H 1 7.087 0.000 . 2 . . . A 37 ASN HD22 . 18445 1 351 . 1 1 36 36 ASN CA C 13 48.566 0.041 . 1 . . . A 37 ASN CA . 18445 1 352 . 1 1 36 36 ASN CB C 13 39.206 0.077 . 1 . . . A 37 ASN CB . 18445 1 353 . 1 1 37 37 PRO HA H 1 4.365 0.003 . 1 . . . A 38 PRO HA . 18445 1 354 . 1 1 37 37 PRO HB2 H 1 1.549 0.007 . 2 . . . A 38 PRO HB2 . 18445 1 355 . 1 1 37 37 PRO HB3 H 1 2.112 0.009 . 2 . . . A 38 PRO HB3 . 18445 1 356 . 1 1 37 37 PRO HG2 H 1 1.480 0.002 . 2 . . . A 38 PRO HG2 . 18445 1 357 . 1 1 37 37 PRO HG3 H 1 1.315 0.003 . 2 . . . A 38 PRO HG3 . 18445 1 358 . 1 1 37 37 PRO HD2 H 1 3.590 0.001 . 2 . . . A 38 PRO HD2 . 18445 1 359 . 1 1 37 37 PRO HD3 H 1 3.715 0.003 . 2 . . . A 38 PRO HD3 . 18445 1 360 . 1 1 37 37 PRO CA C 13 63.962 0.009 . 1 . . . A 38 PRO CA . 18445 1 361 . 1 1 37 37 PRO CB C 13 32.142 0.127 . 1 . . . A 38 PRO CB . 18445 1 362 . 1 1 37 37 PRO CG C 13 26.340 0.058 . 1 . . . A 38 PRO CG . 18445 1 363 . 1 1 37 37 PRO CD C 13 49.975 0.073 . 1 . . . A 38 PRO CD . 18445 1 364 . 1 1 38 38 VAL H H 1 8.046 0.007 . 1 . . . A 39 VAL H . 18445 1 365 . 1 1 38 38 VAL HA H 1 3.408 0.003 . 1 . . . A 39 VAL HA . 18445 1 366 . 1 1 38 38 VAL HB H 1 1.790 0.008 . 1 . . . A 39 VAL HB . 18445 1 367 . 1 1 38 38 VAL HG11 H 1 0.896 0.003 . 1 . . . A 39 VAL HG11 . 18445 1 368 . 1 1 38 38 VAL HG12 H 1 0.896 0.003 . 1 . . . A 39 VAL HG12 . 18445 1 369 . 1 1 38 38 VAL HG13 H 1 0.896 0.003 . 1 . . . A 39 VAL HG13 . 18445 1 370 . 1 1 38 38 VAL HG21 H 1 0.703 0.017 . 1 . . . A 39 VAL HG21 . 18445 1 371 . 1 1 38 38 VAL HG22 H 1 0.703 0.017 . 1 . . . A 39 VAL HG22 . 18445 1 372 . 1 1 38 38 VAL HG23 H 1 0.703 0.017 . 1 . . . A 39 VAL HG23 . 18445 1 373 . 1 1 38 38 VAL CA C 13 65.809 0.009 . 1 . . . A 39 VAL CA . 18445 1 374 . 1 1 38 38 VAL CB C 13 31.405 0.005 . 1 . . . A 39 VAL CB . 18445 1 375 . 1 1 38 38 VAL CG1 C 13 22.700 0.007 . 2 . . . A 39 VAL CG1 . 18445 1 376 . 1 1 38 38 VAL CG2 C 13 20.154 0.137 . 2 . . . A 39 VAL CG2 . 18445 1 377 . 1 1 39 39 GLY H H 1 7.179 0.004 . 1 . . . A 40 GLY H . 18445 1 378 . 1 1 39 39 GLY HA2 H 1 3.143 0.007 . 2 . . . A 40 GLY HA2 . 18445 1 379 . 1 1 39 39 GLY HA3 H 1 3.712 0.003 . 2 . . . A 40 GLY HA3 . 18445 1 380 . 1 1 39 39 GLY CA C 13 48.097 0.048 . 1 . . . A 40 GLY CA . 18445 1 381 . 1 1 40 40 TYR H H 1 6.239 0.002 . 1 . . . A 41 TYR H . 18445 1 382 . 1 1 40 40 TYR HA H 1 3.681 0.010 . 1 . . . A 41 TYR HA . 18445 1 383 . 1 1 40 40 TYR HB2 H 1 2.527 0.016 . 2 . . . A 41 TYR HB2 . 18445 1 384 . 1 1 40 40 TYR HB3 H 1 3.253 0.012 . 2 . . . A 41 TYR HB3 . 18445 1 385 . 1 1 40 40 TYR HD1 H 1 7.297 0.011 . 3 . . . A 41 TYR HD1 . 18445 1 386 . 1 1 40 40 TYR HD2 H 1 7.297 0.011 . 3 . . . A 41 TYR HD2 . 18445 1 387 . 1 1 40 40 TYR HE1 H 1 6.652 0.008 . 3 . . . A 41 TYR HE1 . 18445 1 388 . 1 1 40 40 TYR HE2 H 1 6.652 0.008 . 3 . . . A 41 TYR HE2 . 18445 1 389 . 1 1 40 40 TYR CA C 13 60.760 0.000 . 1 . . . A 41 TYR CA . 18445 1 390 . 1 1 40 40 TYR CB C 13 37.261 0.035 . 1 . . . A 41 TYR CB . 18445 1 391 . 1 1 41 41 SER H H 1 7.655 0.003 . 1 . . . A 42 SER H . 18445 1 392 . 1 1 41 41 SER HA H 1 3.677 0.010 . 1 . . . A 42 SER HA . 18445 1 393 . 1 1 41 41 SER HB2 H 1 3.346 0.014 . 2 . . . A 42 SER HB2 . 18445 1 394 . 1 1 41 41 SER HB3 H 1 3.785 0.008 . 2 . . . A 42 SER HB3 . 18445 1 395 . 1 1 41 41 SER CA C 13 60.490 0.003 . 1 . . . A 42 SER CA . 18445 1 396 . 1 1 41 41 SER CB C 13 63.130 0.050 . 1 . . . A 42 SER CB . 18445 1 397 . 1 1 42 42 ASN H H 1 7.880 0.001 . 1 . . . A 43 ASN H . 18445 1 398 . 1 1 42 42 ASN HA H 1 3.737 0.004 . 1 . . . A 43 ASN HA . 18445 1 399 . 1 1 42 42 ASN HB2 H 1 0.361 0.006 . 2 . . . A 43 ASN HB2 . 18445 1 400 . 1 1 42 42 ASN HB3 H 1 1.393 0.007 . 2 . . . A 43 ASN HB3 . 18445 1 401 . 1 1 42 42 ASN CA C 13 54.810 0.036 . 1 . . . A 43 ASN CA . 18445 1 402 . 1 1 42 42 ASN CB C 13 33.790 0.028 . 1 . . . A 43 ASN CB . 18445 1 403 . 1 1 43 43 LYS H H 1 7.899 0.003 . 1 . . . A 44 LYS H . 18445 1 404 . 1 1 43 43 LYS HA H 1 3.680 0.000 . 1 . . . A 44 LYS HA . 18445 1 405 . 1 1 43 43 LYS HB2 H 1 1.631 0.000 . 2 . . . A 44 LYS HB2 . 18445 1 406 . 1 1 43 43 LYS HB3 H 1 1.674 0.000 . 2 . . . A 44 LYS HB3 . 18445 1 407 . 1 1 43 43 LYS CA C 13 60.631 0.000 . 1 . . . A 44 LYS CA . 18445 1 408 . 1 1 43 43 LYS CB C 13 32.881 0.013 . 1 . . . A 44 LYS CB . 18445 1 409 . 1 1 44 44 ALA H H 1 8.355 0.009 . 1 . . . A 45 ALA H . 18445 1 410 . 1 1 44 44 ALA HA H 1 3.671 0.006 . 1 . . . A 45 ALA HA . 18445 1 411 . 1 1 44 44 ALA HB1 H 1 1.328 0.007 . 1 . . . A 45 ALA HB1 . 18445 1 412 . 1 1 44 44 ALA HB2 H 1 1.328 0.007 . 1 . . . A 45 ALA HB2 . 18445 1 413 . 1 1 44 44 ALA HB3 H 1 1.328 0.007 . 1 . . . A 45 ALA HB3 . 18445 1 414 . 1 1 44 44 ALA CA C 13 55.492 0.091 . 1 . . . A 45 ALA CA . 18445 1 415 . 1 1 44 44 ALA CB C 13 18.800 0.000 . 1 . . . A 45 ALA CB . 18445 1 416 . 1 1 45 45 MET H H 1 7.288 0.011 . 1 . . . A 46 MET H . 18445 1 417 . 1 1 45 45 MET HA H 1 3.982 0.002 . 1 . . . A 46 MET HA . 18445 1 418 . 1 1 45 45 MET HB2 H 1 1.541 0.005 . 2 . . . A 46 MET HB2 . 18445 1 419 . 1 1 45 45 MET HB3 H 1 2.109 0.013 . 2 . . . A 46 MET HB3 . 18445 1 420 . 1 1 45 45 MET HG2 H 1 2.096 0.002 . 2 . . . A 46 MET HG2 . 18445 1 421 . 1 1 45 45 MET HG3 H 1 2.328 0.003 . 2 . . . A 46 MET HG3 . 18445 1 422 . 1 1 45 45 MET HE1 H 1 2.057 0.000 . 1 . . . A 46 MET HE1 . 18445 1 423 . 1 1 45 45 MET HE2 H 1 2.057 0.000 . 1 . . . A 46 MET HE2 . 18445 1 424 . 1 1 45 45 MET HE3 H 1 2.057 0.000 . 1 . . . A 46 MET HE3 . 18445 1 425 . 1 1 45 45 MET CA C 13 57.400 0.000 . 1 . . . A 46 MET CA . 18445 1 426 . 1 1 45 45 MET CB C 13 32.464 0.190 . 1 . . . A 46 MET CB . 18445 1 427 . 1 1 45 45 MET CG C 13 31.561 0.058 . 1 . . . A 46 MET CG . 18445 1 428 . 1 1 45 45 MET CE C 13 19.982 0.000 . 1 . . . A 46 MET CE . 18445 1 429 . 1 1 46 46 ALA H H 1 7.511 0.009 . 1 . . . A 47 ALA H . 18445 1 430 . 1 1 46 46 ALA HA H 1 4.009 0.000 . 1 . . . A 47 ALA HA . 18445 1 431 . 1 1 46 46 ALA HB1 H 1 1.633 0.002 . 1 . . . A 47 ALA HB1 . 18445 1 432 . 1 1 46 46 ALA HB2 H 1 1.633 0.002 . 1 . . . A 47 ALA HB2 . 18445 1 433 . 1 1 46 46 ALA HB3 H 1 1.633 0.002 . 1 . . . A 47 ALA HB3 . 18445 1 434 . 1 1 46 46 ALA CA C 13 55.099 0.014 . 1 . . . A 47 ALA CA . 18445 1 435 . 1 1 46 46 ALA CB C 13 18.343 0.006 . 1 . . . A 47 ALA CB . 18445 1 436 . 1 1 47 47 LEU H H 1 8.337 0.004 . 1 . . . A 48 LEU H . 18445 1 437 . 1 1 47 47 LEU HA H 1 3.731 0.005 . 1 . . . A 48 LEU HA . 18445 1 438 . 1 1 47 47 LEU HB2 H 1 1.459 0.008 . 2 . . . A 48 LEU HB2 . 18445 1 439 . 1 1 47 47 LEU HB3 H 1 1.707 0.014 . 2 . . . A 48 LEU HB3 . 18445 1 440 . 1 1 47 47 LEU HG H 1 1.659 0.001 . 1 . . . A 48 LEU HG . 18445 1 441 . 1 1 47 47 LEU HD11 H 1 0.686 0.003 . 1 . . . A 48 LEU HD11 . 18445 1 442 . 1 1 47 47 LEU HD12 H 1 0.686 0.003 . 1 . . . A 48 LEU HD12 . 18445 1 443 . 1 1 47 47 LEU HD13 H 1 0.686 0.003 . 1 . . . A 48 LEU HD13 . 18445 1 444 . 1 1 47 47 LEU HD21 H 1 0.529 0.003 . 1 . . . A 48 LEU HD21 . 18445 1 445 . 1 1 47 47 LEU HD22 H 1 0.529 0.003 . 1 . . . A 48 LEU HD22 . 18445 1 446 . 1 1 47 47 LEU HD23 H 1 0.529 0.003 . 1 . . . A 48 LEU HD23 . 18445 1 447 . 1 1 47 47 LEU CA C 13 57.358 0.055 . 1 . . . A 48 LEU CA . 18445 1 448 . 1 1 47 47 LEU CB C 13 40.440 0.043 . 1 . . . A 48 LEU CB . 18445 1 449 . 1 1 47 47 LEU CG C 13 25.745 0.041 . 1 . . . A 48 LEU CG . 18445 1 450 . 1 1 47 47 LEU CD1 C 13 21.308 0.036 . 2 . . . A 48 LEU CD1 . 18445 1 451 . 1 1 47 47 LEU CD2 C 13 26.660 0.032 . 2 . . . A 48 LEU CD2 . 18445 1 452 . 1 1 48 48 ILE H H 1 8.210 0.009 . 1 . . . A 49 ILE H . 18445 1 453 . 1 1 48 48 ILE HA H 1 3.084 0.003 . 1 . . . A 49 ILE HA . 18445 1 454 . 1 1 48 48 ILE HB H 1 1.848 0.007 . 1 . . . A 49 ILE HB . 18445 1 455 . 1 1 48 48 ILE HG12 H 1 0.573 0.012 . 2 . . . A 49 ILE HG12 . 18445 1 456 . 1 1 48 48 ILE HG13 H 1 1.693 0.018 . 2 . . . A 49 ILE HG13 . 18445 1 457 . 1 1 48 48 ILE HG21 H 1 0.742 0.004 . 1 . . . A 49 ILE HG21 . 18445 1 458 . 1 1 48 48 ILE HG22 H 1 0.742 0.004 . 1 . . . A 49 ILE HG22 . 18445 1 459 . 1 1 48 48 ILE HG23 H 1 0.742 0.004 . 1 . . . A 49 ILE HG23 . 18445 1 460 . 1 1 48 48 ILE HD11 H 1 0.725 0.006 . 1 . . . A 49 ILE HD11 . 18445 1 461 . 1 1 48 48 ILE HD12 H 1 0.725 0.006 . 1 . . . A 49 ILE HD12 . 18445 1 462 . 1 1 48 48 ILE HD13 H 1 0.725 0.006 . 1 . . . A 49 ILE HD13 . 18445 1 463 . 1 1 48 48 ILE CA C 13 65.816 0.007 . 1 . . . A 49 ILE CA . 18445 1 464 . 1 1 48 48 ILE CB C 13 37.182 0.060 . 1 . . . A 49 ILE CB . 18445 1 465 . 1 1 48 48 ILE CG1 C 13 30.981 0.043 . 1 . . . A 49 ILE CG1 . 18445 1 466 . 1 1 48 48 ILE CG2 C 13 16.774 0.218 . 1 . . . A 49 ILE CG2 . 18445 1 467 . 1 1 48 48 ILE CD1 C 13 13.278 0.018 . 1 . . . A 49 ILE CD1 . 18445 1 468 . 1 1 49 49 LYS H H 1 7.042 0.008 . 1 . . . A 50 LYS H . 18445 1 469 . 1 1 49 49 LYS HA H 1 3.649 0.007 . 1 . . . A 50 LYS HA . 18445 1 470 . 1 1 49 49 LYS HB2 H 1 0.397 0.004 . 2 . . . A 50 LYS HB2 . 18445 1 471 . 1 1 49 49 LYS HB3 H 1 1.069 0.005 . 2 . . . A 50 LYS HB3 . 18445 1 472 . 1 1 49 49 LYS HG2 H 1 0.737 0.000 . 2 . . . A 50 LYS HG2 . 18445 1 473 . 1 1 49 49 LYS HG3 H 1 1.278 0.004 . 2 . . . A 50 LYS HG3 . 18445 1 474 . 1 1 49 49 LYS HD2 H 1 1.176 0.001 . 2 . . . A 50 LYS HD2 . 18445 1 475 . 1 1 49 49 LYS HD3 H 1 1.429 0.001 . 2 . . . A 50 LYS HD3 . 18445 1 476 . 1 1 49 49 LYS HE2 H 1 2.688 0.016 . 2 . . . A 50 LYS HE2 . 18445 1 477 . 1 1 49 49 LYS HE3 H 1 2.688 0.016 . 2 . . . A 50 LYS HE3 . 18445 1 478 . 1 1 49 49 LYS CA C 13 56.053 0.000 . 1 . . . A 50 LYS CA . 18445 1 479 . 1 1 49 49 LYS CB C 13 28.625 0.057 . 1 . . . A 50 LYS CB . 18445 1 480 . 1 1 49 49 LYS CG C 13 23.945 0.062 . 1 . . . A 50 LYS CG . 18445 1 481 . 1 1 49 49 LYS CD C 13 26.682 0.078 . 1 . . . A 50 LYS CD . 18445 1 482 . 1 1 49 49 LYS CE C 13 41.379 0.025 . 1 . . . A 50 LYS CE . 18445 1 483 . 1 1 50 50 LEU H H 1 6.940 0.014 . 1 . . . A 51 LEU H . 18445 1 484 . 1 1 50 50 LEU HA H 1 4.015 0.003 . 1 . . . A 51 LEU HA . 18445 1 485 . 1 1 50 50 LEU HB2 H 1 1.467 0.005 . 2 . . . A 51 LEU HB2 . 18445 1 486 . 1 1 50 50 LEU HB3 H 1 1.580 0.003 . 2 . . . A 51 LEU HB3 . 18445 1 487 . 1 1 50 50 LEU HG H 1 1.421 0.001 . 1 . . . A 51 LEU HG . 18445 1 488 . 1 1 50 50 LEU HD11 H 1 0.873 0.002 . 1 . . . A 51 LEU HD11 . 18445 1 489 . 1 1 50 50 LEU HD12 H 1 0.873 0.002 . 1 . . . A 51 LEU HD12 . 18445 1 490 . 1 1 50 50 LEU HD13 H 1 0.873 0.002 . 1 . . . A 51 LEU HD13 . 18445 1 491 . 1 1 50 50 LEU HD21 H 1 0.518 0.006 . 1 . . . A 51 LEU HD21 . 18445 1 492 . 1 1 50 50 LEU HD22 H 1 0.518 0.006 . 1 . . . A 51 LEU HD22 . 18445 1 493 . 1 1 50 50 LEU HD23 H 1 0.518 0.006 . 1 . . . A 51 LEU HD23 . 18445 1 494 . 1 1 50 50 LEU CA C 13 54.387 0.087 . 1 . . . A 51 LEU CA . 18445 1 495 . 1 1 50 50 LEU CB C 13 43.192 0.023 . 1 . . . A 51 LEU CB . 18445 1 496 . 1 1 50 50 LEU CG C 13 26.139 0.090 . 1 . . . A 51 LEU CG . 18445 1 497 . 1 1 50 50 LEU CD1 C 13 22.922 0.011 . 2 . . . A 51 LEU CD1 . 18445 1 498 . 1 1 50 50 LEU CD2 C 13 24.617 0.034 . 2 . . . A 51 LEU CD2 . 18445 1 499 . 1 1 51 51 GLY H H 1 7.478 0.001 . 1 . . . A 52 GLY H . 18445 1 500 . 1 1 51 51 GLY HA2 H 1 2.676 0.000 . 2 . . . A 52 GLY HA2 . 18445 1 501 . 1 1 51 51 GLY HA3 H 1 3.663 0.004 . 2 . . . A 52 GLY HA3 . 18445 1 502 . 1 1 51 51 GLY CA C 13 44.130 0.006 . 1 . . . A 52 GLY CA . 18445 1 503 . 1 1 52 52 GLU H H 1 7.574 0.005 . 1 . . . A 53 GLU H . 18445 1 504 . 1 1 52 52 GLU HA H 1 4.282 0.003 . 1 . . . A 53 GLU HA . 18445 1 505 . 1 1 52 52 GLU HB2 H 1 1.414 0.003 . 2 . . . A 53 GLU HB2 . 18445 1 506 . 1 1 52 52 GLU HB3 H 1 1.857 0.004 . 2 . . . A 53 GLU HB3 . 18445 1 507 . 1 1 52 52 GLU HG2 H 1 1.762 0.002 . 2 . . . A 53 GLU HG2 . 18445 1 508 . 1 1 52 52 GLU HG3 H 1 1.902 0.006 . 2 . . . A 53 GLU HG3 . 18445 1 509 . 1 1 52 52 GLU CA C 13 53.077 0.000 . 1 . . . A 53 GLU CA . 18445 1 510 . 1 1 52 52 GLU CB C 13 26.912 0.117 . 1 . . . A 53 GLU CB . 18445 1 511 . 1 1 52 52 GLU CG C 13 33.620 0.070 . 1 . . . A 53 GLU CG . 18445 1 512 . 1 1 53 53 TYR H H 1 6.775 0.002 . 1 . . . A 54 TYR H . 18445 1 513 . 1 1 53 53 TYR HA H 1 3.784 0.011 . 1 . . . A 54 TYR HA . 18445 1 514 . 1 1 53 53 TYR HB2 H 1 2.623 0.013 . 2 . . . A 54 TYR HB2 . 18445 1 515 . 1 1 53 53 TYR HB3 H 1 3.085 0.011 . 2 . . . A 54 TYR HB3 . 18445 1 516 . 1 1 53 53 TYR HD1 H 1 6.784 0.008 . 3 . . . A 54 TYR HD1 . 18445 1 517 . 1 1 53 53 TYR HD2 H 1 6.784 0.008 . 3 . . . A 54 TYR HD2 . 18445 1 518 . 1 1 53 53 TYR HE1 H 1 6.708 0.001 . 3 . . . A 54 TYR HE1 . 18445 1 519 . 1 1 53 53 TYR HE2 H 1 6.708 0.001 . 3 . . . A 54 TYR HE2 . 18445 1 520 . 1 1 53 53 TYR CA C 13 60.966 0.012 . 1 . . . A 54 TYR CA . 18445 1 521 . 1 1 53 53 TYR CB C 13 37.351 0.032 . 1 . . . A 54 TYR CB . 18445 1 522 . 1 1 54 54 THR H H 1 8.439 0.003 . 1 . . . A 55 THR H . 18445 1 523 . 1 1 54 54 THR HA H 1 3.736 0.002 . 1 . . . A 55 THR HA . 18445 1 524 . 1 1 54 54 THR HB H 1 3.996 0.001 . 1 . . . A 55 THR HB . 18445 1 525 . 1 1 54 54 THR HG21 H 1 1.083 0.001 . 1 . . . A 55 THR HG21 . 18445 1 526 . 1 1 54 54 THR HG22 H 1 1.083 0.001 . 1 . . . A 55 THR HG22 . 18445 1 527 . 1 1 54 54 THR HG23 H 1 1.083 0.001 . 1 . . . A 55 THR HG23 . 18445 1 528 . 1 1 54 54 THR CA C 13 66.526 0.033 . 1 . . . A 55 THR CA . 18445 1 529 . 1 1 54 54 THR CB C 13 67.280 0.028 . 1 . . . A 55 THR CB . 18445 1 530 . 1 1 54 54 THR CG2 C 13 21.553 0.003 . 1 . . . A 55 THR CG2 . 18445 1 531 . 1 1 55 55 GLN H H 1 8.211 0.012 . 1 . . . A 56 GLN H . 18445 1 532 . 1 1 55 55 GLN HA H 1 3.994 0.003 . 1 . . . A 56 GLN HA . 18445 1 533 . 1 1 55 55 GLN HB2 H 1 1.862 0.000 . 2 . . . A 56 GLN HB2 . 18445 1 534 . 1 1 55 55 GLN HB3 H 1 1.956 0.000 . 2 . . . A 56 GLN HB3 . 18445 1 535 . 1 1 55 55 GLN HG2 H 1 2.185 0.002 . 2 . . . A 56 GLN HG2 . 18445 1 536 . 1 1 55 55 GLN HG3 H 1 2.379 0.001 . 2 . . . A 56 GLN HG3 . 18445 1 537 . 1 1 55 55 GLN HE21 H 1 7.184 0.003 . 2 . . . A 56 GLN HE21 . 18445 1 538 . 1 1 55 55 GLN HE22 H 1 6.648 0.003 . 2 . . . A 56 GLN HE22 . 18445 1 539 . 1 1 55 55 GLN CA C 13 58.469 0.000 . 1 . . . A 56 GLN CA . 18445 1 540 . 1 1 55 55 GLN CB C 13 28.614 0.013 . 1 . . . A 56 GLN CB . 18445 1 541 . 1 1 55 55 GLN CG C 13 34.256 0.065 . 1 . . . A 56 GLN CG . 18445 1 542 . 1 1 56 56 ALA H H 1 8.172 0.004 . 1 . . . A 57 ALA H . 18445 1 543 . 1 1 56 56 ALA HA H 1 3.676 0.004 . 1 . . . A 57 ALA HA . 18445 1 544 . 1 1 56 56 ALA HB1 H 1 1.345 0.011 . 1 . . . A 57 ALA HB1 . 18445 1 545 . 1 1 56 56 ALA HB2 H 1 1.345 0.011 . 1 . . . A 57 ALA HB2 . 18445 1 546 . 1 1 56 56 ALA HB3 H 1 1.345 0.011 . 1 . . . A 57 ALA HB3 . 18445 1 547 . 1 1 56 56 ALA CA C 13 54.841 0.059 . 1 . . . A 57 ALA CA . 18445 1 548 . 1 1 56 56 ALA CB C 13 18.034 0.022 . 1 . . . A 57 ALA CB . 18445 1 549 . 1 1 57 57 ILE H H 1 8.283 0.004 . 1 . . . A 58 ILE H . 18445 1 550 . 1 1 57 57 ILE HA H 1 3.193 0.002 . 1 . . . A 58 ILE HA . 18445 1 551 . 1 1 57 57 ILE HB H 1 1.813 0.008 . 1 . . . A 58 ILE HB . 18445 1 552 . 1 1 57 57 ILE HG12 H 1 0.656 0.006 . 2 . . . A 58 ILE HG12 . 18445 1 553 . 1 1 57 57 ILE HG13 H 1 1.837 0.007 . 2 . . . A 58 ILE HG13 . 18445 1 554 . 1 1 57 57 ILE HG21 H 1 0.616 0.000 . 1 . . . A 58 ILE HG21 . 18445 1 555 . 1 1 57 57 ILE HG22 H 1 0.616 0.000 . 1 . . . A 58 ILE HG22 . 18445 1 556 . 1 1 57 57 ILE HG23 H 1 0.616 0.000 . 1 . . . A 58 ILE HG23 . 18445 1 557 . 1 1 57 57 ILE HD11 H 1 0.608 0.005 . 1 . . . A 58 ILE HD11 . 18445 1 558 . 1 1 57 57 ILE HD12 H 1 0.608 0.005 . 1 . . . A 58 ILE HD12 . 18445 1 559 . 1 1 57 57 ILE HD13 H 1 0.608 0.005 . 1 . . . A 58 ILE HD13 . 18445 1 560 . 1 1 57 57 ILE CA C 13 66.031 0.015 . 1 . . . A 58 ILE CA . 18445 1 561 . 1 1 57 57 ILE CB C 13 38.064 0.023 . 1 . . . A 58 ILE CB . 18445 1 562 . 1 1 57 57 ILE CG1 C 13 30.082 0.046 . 1 . . . A 58 ILE CG1 . 18445 1 563 . 1 1 57 57 ILE CG2 C 13 15.536 0.003 . 1 . . . A 58 ILE CG2 . 18445 1 564 . 1 1 57 57 ILE CD1 C 13 13.696 0.012 . 1 . . . A 58 ILE CD1 . 18445 1 565 . 1 1 58 58 GLN H H 1 7.157 0.019 . 1 . . . A 59 GLN H . 18445 1 566 . 1 1 58 58 GLN HA H 1 3.726 0.001 . 1 . . . A 59 GLN HA . 18445 1 567 . 1 1 58 58 GLN HB2 H 1 1.977 0.000 . 2 . . . A 59 GLN HB2 . 18445 1 568 . 1 1 58 58 GLN HB3 H 1 1.977 0.000 . 2 . . . A 59 GLN HB3 . 18445 1 569 . 1 1 58 58 GLN HG2 H 1 2.185 0.000 . 2 . . . A 59 GLN HG2 . 18445 1 570 . 1 1 58 58 GLN HG3 H 1 2.378 0.002 . 2 . . . A 59 GLN HG3 . 18445 1 571 . 1 1 58 58 GLN CA C 13 58.242 0.000 . 1 . . . A 59 GLN CA . 18445 1 572 . 1 1 58 58 GLN CB C 13 27.488 0.000 . 1 . . . A 59 GLN CB . 18445 1 573 . 1 1 58 58 GLN CG C 13 33.899 0.001 . 1 . . . A 59 GLN CG . 18445 1 574 . 1 1 59 59 MET H H 1 8.088 0.004 . 1 . . . A 60 MET H . 18445 1 575 . 1 1 59 59 MET HA H 1 4.466 0.009 . 1 . . . A 60 MET HA . 18445 1 576 . 1 1 59 59 MET HB2 H 1 2.037 0.017 . 2 . . . A 60 MET HB2 . 18445 1 577 . 1 1 59 59 MET HB3 H 1 2.285 0.003 . 2 . . . A 60 MET HB3 . 18445 1 578 . 1 1 59 59 MET HG2 H 1 2.303 0.004 . 2 . . . A 60 MET HG2 . 18445 1 579 . 1 1 59 59 MET HG3 H 1 2.610 0.003 . 2 . . . A 60 MET HG3 . 18445 1 580 . 1 1 59 59 MET HE1 H 1 2.058 0.000 . 1 . . . A 60 MET HE1 . 18445 1 581 . 1 1 59 59 MET HE2 H 1 2.058 0.000 . 1 . . . A 60 MET HE2 . 18445 1 582 . 1 1 59 59 MET HE3 H 1 2.058 0.000 . 1 . . . A 60 MET HE3 . 18445 1 583 . 1 1 59 59 MET CA C 13 56.520 0.030 . 1 . . . A 60 MET CA . 18445 1 584 . 1 1 59 59 MET CB C 13 34.633 0.041 . 1 . . . A 60 MET CB . 18445 1 585 . 1 1 59 59 MET CG C 13 32.946 0.013 . 1 . . . A 60 MET CG . 18445 1 586 . 1 1 59 59 MET CE C 13 19.988 0.007 . 1 . . . A 60 MET CE . 18445 1 587 . 1 1 60 60 CYS H H 1 8.384 0.002 . 1 . . . A 61 CYS H . 18445 1 588 . 1 1 60 60 CYS HA H 1 3.921 0.003 . 1 . . . A 61 CYS HA . 18445 1 589 . 1 1 60 60 CYS HB2 H 1 2.304 0.002 . 2 . . . A 61 CYS HB2 . 18445 1 590 . 1 1 60 60 CYS HB3 H 1 2.963 0.002 . 2 . . . A 61 CYS HB3 . 18445 1 591 . 1 1 60 60 CYS CA C 13 63.386 0.034 . 1 . . . A 61 CYS CA . 18445 1 592 . 1 1 60 60 CYS CB C 13 27.292 0.014 . 1 . . . A 61 CYS CB . 18445 1 593 . 1 1 61 61 GLN H H 1 8.274 0.004 . 1 . . . A 62 GLN H . 18445 1 594 . 1 1 61 61 GLN HA H 1 3.717 0.006 . 1 . . . A 62 GLN HA . 18445 1 595 . 1 1 61 61 GLN HB2 H 1 1.664 0.001 . 2 . . . A 62 GLN HB2 . 18445 1 596 . 1 1 61 61 GLN HB3 H 1 1.997 0.001 . 2 . . . A 62 GLN HB3 . 18445 1 597 . 1 1 61 61 GLN HG2 H 1 2.095 0.002 . 2 . . . A 62 GLN HG2 . 18445 1 598 . 1 1 61 61 GLN HG3 H 1 2.362 0.002 . 2 . . . A 62 GLN HG3 . 18445 1 599 . 1 1 61 61 GLN HE21 H 1 6.510 0.007 . 2 . . . A 62 GLN HE21 . 18445 1 600 . 1 1 61 61 GLN HE22 H 1 6.971 0.000 . 2 . . . A 62 GLN HE22 . 18445 1 601 . 1 1 61 61 GLN CA C 13 58.400 0.000 . 1 . . . A 62 GLN CA . 18445 1 602 . 1 1 61 61 GLN CB C 13 27.400 0.000 . 1 . . . A 62 GLN CB . 18445 1 603 . 1 1 61 61 GLN CG C 13 33.602 0.043 . 1 . . . A 62 GLN CG . 18445 1 604 . 1 1 62 62 GLN H H 1 7.749 0.002 . 1 . . . A 63 GLN H . 18445 1 605 . 1 1 62 62 GLN HA H 1 3.517 0.002 . 1 . . . A 63 GLN HA . 18445 1 606 . 1 1 62 62 GLN HB2 H 1 1.539 0.001 . 2 . . . A 63 GLN HB2 . 18445 1 607 . 1 1 62 62 GLN HB3 H 1 1.792 0.001 . 2 . . . A 63 GLN HB3 . 18445 1 608 . 1 1 62 62 GLN HG2 H 1 2.101 0.002 . 2 . . . A 63 GLN HG2 . 18445 1 609 . 1 1 62 62 GLN HG3 H 1 2.167 0.003 . 2 . . . A 63 GLN HG3 . 18445 1 610 . 1 1 62 62 GLN HE21 H 1 6.652 0.000 . 2 . . . A 63 GLN HE21 . 18445 1 611 . 1 1 62 62 GLN CA C 13 58.183 0.000 . 1 . . . A 63 GLN CA . 18445 1 612 . 1 1 62 62 GLN CB C 13 27.937 0.015 . 1 . . . A 63 GLN CB . 18445 1 613 . 1 1 62 62 GLN CG C 13 33.494 0.039 . 1 . . . A 63 GLN CG . 18445 1 614 . 1 1 63 63 GLY H H 1 8.029 0.000 . 1 . . . A 64 GLY H . 18445 1 615 . 1 1 63 63 GLY HA2 H 1 3.124 0.009 . 2 . . . A 64 GLY HA2 . 18445 1 616 . 1 1 63 63 GLY HA3 H 1 3.124 0.009 . 2 . . . A 64 GLY HA3 . 18445 1 617 . 1 1 63 63 GLY CA C 13 47.401 0.074 . 1 . . . A 64 GLY CA . 18445 1 618 . 1 1 64 64 LEU H H 1 7.908 0.005 . 1 . . . A 65 LEU H . 18445 1 619 . 1 1 64 64 LEU HA H 1 3.910 0.003 . 1 . . . A 65 LEU HA . 18445 1 620 . 1 1 64 64 LEU HB2 H 1 1.145 0.002 . 2 . . . A 65 LEU HB2 . 18445 1 621 . 1 1 64 64 LEU HB3 H 1 1.576 0.004 . 2 . . . A 65 LEU HB3 . 18445 1 622 . 1 1 64 64 LEU HG H 1 1.508 0.000 . 1 . . . A 65 LEU HG . 18445 1 623 . 1 1 64 64 LEU HD11 H 1 0.487 0.003 . 1 . . . A 65 LEU HD11 . 18445 1 624 . 1 1 64 64 LEU HD12 H 1 0.487 0.003 . 1 . . . A 65 LEU HD12 . 18445 1 625 . 1 1 64 64 LEU HD13 H 1 0.487 0.003 . 1 . . . A 65 LEU HD13 . 18445 1 626 . 1 1 64 64 LEU HD21 H 1 0.766 0.006 . 1 . . . A 65 LEU HD21 . 18445 1 627 . 1 1 64 64 LEU HD22 H 1 0.766 0.006 . 1 . . . A 65 LEU HD22 . 18445 1 628 . 1 1 64 64 LEU HD23 H 1 0.766 0.006 . 1 . . . A 65 LEU HD23 . 18445 1 629 . 1 1 64 64 LEU CA C 13 56.300 0.015 . 1 . . . A 65 LEU CA . 18445 1 630 . 1 1 64 64 LEU CB C 13 41.395 0.017 . 1 . . . A 65 LEU CB . 18445 1 631 . 1 1 64 64 LEU CG C 13 27.338 0.000 . 1 . . . A 65 LEU CG . 18445 1 632 . 1 1 64 64 LEU CD1 C 13 24.792 0.007 . 2 . . . A 65 LEU CD1 . 18445 1 633 . 1 1 64 64 LEU CD2 C 13 24.150 0.000 . 2 . . . A 65 LEU CD2 . 18445 1 634 . 1 1 65 65 ARG H H 1 6.974 0.007 . 1 . . . A 66 ARG H . 18445 1 635 . 1 1 65 65 ARG HA H 1 3.649 0.005 . 1 . . . A 66 ARG HA . 18445 1 636 . 1 1 65 65 ARG HB2 H 1 0.883 0.003 . 2 . . . A 66 ARG HB2 . 18445 1 637 . 1 1 65 65 ARG HB3 H 1 1.067 0.005 . 2 . . . A 66 ARG HB3 . 18445 1 638 . 1 1 65 65 ARG HG2 H 1 1.421 0.001 . 2 . . . A 66 ARG HG2 . 18445 1 639 . 1 1 65 65 ARG HG3 H 1 1.109 0.000 . 2 . . . A 66 ARG HG3 . 18445 1 640 . 1 1 65 65 ARG HD2 H 1 2.702 0.002 . 2 . . . A 66 ARG HD2 . 18445 1 641 . 1 1 65 65 ARG HD3 H 1 2.743 0.002 . 2 . . . A 66 ARG HD3 . 18445 1 642 . 1 1 65 65 ARG CA C 13 57.624 0.000 . 1 . . . A 66 ARG CA . 18445 1 643 . 1 1 65 65 ARG CB C 13 28.748 0.022 . 1 . . . A 66 ARG CB . 18445 1 644 . 1 1 65 65 ARG CG C 13 26.272 0.053 . 1 . . . A 66 ARG CG . 18445 1 645 . 1 1 65 65 ARG CD C 13 42.898 0.015 . 1 . . . A 66 ARG CD . 18445 1 646 . 1 1 66 66 TYR H H 1 7.069 0.000 . 1 . . . A 67 TYR H . 18445 1 647 . 1 1 66 66 TYR HA H 1 4.709 0.009 . 1 . . . A 67 TYR HA . 18445 1 648 . 1 1 66 66 TYR HB2 H 1 2.149 0.017 . 2 . . . A 67 TYR HB2 . 18445 1 649 . 1 1 66 66 TYR HB3 H 1 3.442 0.004 . 2 . . . A 67 TYR HB3 . 18445 1 650 . 1 1 66 66 TYR HD1 H 1 6.714 0.008 . 3 . . . A 67 TYR HD1 . 18445 1 651 . 1 1 66 66 TYR HD2 H 1 6.714 0.008 . 3 . . . A 67 TYR HD2 . 18445 1 652 . 1 1 66 66 TYR HE1 H 1 6.408 0.002 . 3 . . . A 67 TYR HE1 . 18445 1 653 . 1 1 66 66 TYR HE2 H 1 6.408 0.002 . 3 . . . A 67 TYR HE2 . 18445 1 654 . 1 1 66 66 TYR CB C 13 38.621 0.071 . 1 . . . A 67 TYR CB . 18445 1 655 . 1 1 67 67 THR H H 1 7.041 0.003 . 1 . . . A 68 THR H . 18445 1 656 . 1 1 67 67 THR HA H 1 4.370 0.003 . 1 . . . A 68 THR HA . 18445 1 657 . 1 1 67 67 THR HB H 1 4.370 0.003 . 1 . . . A 68 THR HB . 18445 1 658 . 1 1 67 67 THR HG21 H 1 0.841 0.005 . 1 . . . A 68 THR HG21 . 18445 1 659 . 1 1 67 67 THR HG22 H 1 0.841 0.005 . 1 . . . A 68 THR HG22 . 18445 1 660 . 1 1 67 67 THR HG23 H 1 0.841 0.005 . 1 . . . A 68 THR HG23 . 18445 1 661 . 1 1 67 67 THR CA C 13 59.524 0.047 . 1 . . . A 68 THR CA . 18445 1 662 . 1 1 67 67 THR CB C 13 69.067 0.034 . 1 . . . A 68 THR CB . 18445 1 663 . 1 1 67 67 THR CG2 C 13 21.587 0.001 . 1 . . . A 68 THR CG2 . 18445 1 664 . 1 1 68 68 SER HA H 1 4.317 0.000 . 1 . . . A 69 SER HA . 18445 1 665 . 1 1 68 68 SER HB2 H 1 3.717 0.002 . 2 . . . A 69 SER HB2 . 18445 1 666 . 1 1 68 68 SER HB3 H 1 3.852 0.004 . 2 . . . A 69 SER HB3 . 18445 1 667 . 1 1 68 68 SER CA C 13 58.836 0.006 . 1 . . . A 69 SER CA . 18445 1 668 . 1 1 68 68 SER CB C 13 63.332 0.024 . 1 . . . A 69 SER CB . 18445 1 669 . 1 1 69 69 THR H H 1 7.816 0.000 . 1 . . . A 70 THR H . 18445 1 670 . 1 1 69 69 THR HA H 1 4.321 0.003 . 1 . . . A 70 THR HA . 18445 1 671 . 1 1 69 69 THR HB H 1 4.312 0.000 . 1 . . . A 70 THR HB . 18445 1 672 . 1 1 69 69 THR HG21 H 1 1.050 0.001 . 1 . . . A 70 THR HG21 . 18445 1 673 . 1 1 69 69 THR HG22 H 1 1.050 0.001 . 1 . . . A 70 THR HG22 . 18445 1 674 . 1 1 69 69 THR HG23 H 1 1.050 0.001 . 1 . . . A 70 THR HG23 . 18445 1 675 . 1 1 69 69 THR CA C 13 60.639 0.039 . 1 . . . A 70 THR CA . 18445 1 676 . 1 1 69 69 THR CB C 13 69.491 0.000 . 1 . . . A 70 THR CB . 18445 1 677 . 1 1 69 69 THR CG2 C 13 21.361 0.000 . 1 . . . A 70 THR CG2 . 18445 1 678 . 1 1 70 70 ALA H H 1 8.433 0.000 . 1 . . . A 71 ALA H . 18445 1 679 . 1 1 70 70 ALA HA H 1 3.999 0.000 . 1 . . . A 71 ALA HA . 18445 1 680 . 1 1 70 70 ALA HB1 H 1 1.225 0.000 . 1 . . . A 71 ALA HB1 . 18445 1 681 . 1 1 70 70 ALA HB2 H 1 1.225 0.000 . 1 . . . A 71 ALA HB2 . 18445 1 682 . 1 1 70 70 ALA HB3 H 1 1.225 0.000 . 1 . . . A 71 ALA HB3 . 18445 1 683 . 1 1 70 70 ALA CA C 13 53.708 0.007 . 1 . . . A 71 ALA CA . 18445 1 684 . 1 1 70 70 ALA CB C 13 18.000 0.000 . 1 . . . A 71 ALA CB . 18445 1 685 . 1 1 71 71 GLU H H 1 8.197 0.009 . 1 . . . A 72 GLU H . 18445 1 686 . 1 1 71 71 GLU HA H 1 3.968 0.007 . 1 . . . A 72 GLU HA . 18445 1 687 . 1 1 71 71 GLU HB2 H 1 1.473 0.000 . 2 . . . A 72 GLU HB2 . 18445 1 688 . 1 1 71 71 GLU HB3 H 1 1.544 0.000 . 2 . . . A 72 GLU HB3 . 18445 1 689 . 1 1 71 71 GLU HG2 H 1 1.701 0.000 . 2 . . . A 72 GLU HG2 . 18445 1 690 . 1 1 71 71 GLU HG3 H 1 1.701 0.000 . 2 . . . A 72 GLU HG3 . 18445 1 691 . 1 1 71 71 GLU CA C 13 57.354 0.000 . 1 . . . A 72 GLU CA . 18445 1 692 . 1 1 71 71 GLU CB C 13 28.943 0.153 . 1 . . . A 72 GLU CB . 18445 1 693 . 1 1 71 71 GLU CG C 13 30.800 0.000 . 1 . . . A 72 GLU CG . 18445 1 694 . 1 1 72 72 HIS H H 1 7.525 0.004 . 1 . . . A 73 HIS H . 18445 1 695 . 1 1 72 72 HIS HA H 1 4.850 0.010 . 1 . . . A 73 HIS HA . 18445 1 696 . 1 1 72 72 HIS HB2 H 1 2.792 0.008 . 2 . . . A 73 HIS HB2 . 18445 1 697 . 1 1 72 72 HIS HB3 H 1 3.167 0.013 . 2 . . . A 73 HIS HB3 . 18445 1 698 . 1 1 72 72 HIS HD2 H 1 6.938 0.009 . 1 . . . A 73 HIS HD2 . 18445 1 699 . 1 1 72 72 HIS HE1 H 1 7.564 0.001 . 1 . . . A 73 HIS HE1 . 18445 1 700 . 1 1 72 72 HIS CA C 13 55.123 0.042 . 1 . . . A 73 HIS CA . 18445 1 701 . 1 1 72 72 HIS CB C 13 30.987 0.054 . 1 . . . A 73 HIS CB . 18445 1 702 . 1 1 73 73 VAL H H 1 7.204 0.006 . 1 . . . A 74 VAL H . 18445 1 703 . 1 1 73 73 VAL HA H 1 3.510 0.001 . 1 . . . A 74 VAL HA . 18445 1 704 . 1 1 73 73 VAL HB H 1 1.919 0.003 . 1 . . . A 74 VAL HB . 18445 1 705 . 1 1 73 73 VAL HG11 H 1 0.877 0.000 . 1 . . . A 74 VAL HG11 . 18445 1 706 . 1 1 73 73 VAL HG12 H 1 0.877 0.000 . 1 . . . A 74 VAL HG12 . 18445 1 707 . 1 1 73 73 VAL HG13 H 1 0.877 0.000 . 1 . . . A 74 VAL HG13 . 18445 1 708 . 1 1 73 73 VAL HG21 H 1 0.811 0.001 . 1 . . . A 74 VAL HG21 . 18445 1 709 . 1 1 73 73 VAL HG22 H 1 0.811 0.001 . 1 . . . A 74 VAL HG22 . 18445 1 710 . 1 1 73 73 VAL HG23 H 1 0.811 0.001 . 1 . . . A 74 VAL HG23 . 18445 1 711 . 1 1 73 73 VAL CA C 13 66.156 0.003 . 1 . . . A 74 VAL CA . 18445 1 712 . 1 1 73 73 VAL CB C 13 31.186 0.022 . 1 . . . A 74 VAL CB . 18445 1 713 . 1 1 73 73 VAL CG1 C 13 21.461 0.019 . 2 . . . A 74 VAL CG1 . 18445 1 714 . 1 1 73 73 VAL CG2 C 13 20.201 0.132 . 2 . . . A 74 VAL CG2 . 18445 1 715 . 1 1 74 74 ALA H H 1 8.494 0.000 . 1 . . . A 75 ALA H . 18445 1 716 . 1 1 74 74 ALA HA H 1 4.101 0.007 . 1 . . . A 75 ALA HA . 18445 1 717 . 1 1 74 74 ALA HB1 H 1 1.271 0.005 . 1 . . . A 75 ALA HB1 . 18445 1 718 . 1 1 74 74 ALA HB2 H 1 1.271 0.005 . 1 . . . A 75 ALA HB2 . 18445 1 719 . 1 1 74 74 ALA HB3 H 1 1.271 0.005 . 1 . . . A 75 ALA HB3 . 18445 1 720 . 1 1 74 74 ALA CA C 13 54.500 0.000 . 1 . . . A 75 ALA CA . 18445 1 721 . 1 1 74 74 ALA CB C 13 17.282 0.023 . 1 . . . A 75 ALA CB . 18445 1 722 . 1 1 75 75 ILE H H 1 7.972 0.034 . 1 . . . A 76 ILE H . 18445 1 723 . 1 1 75 75 ILE HA H 1 3.864 0.005 . 1 . . . A 76 ILE HA . 18445 1 724 . 1 1 75 75 ILE HB H 1 1.735 0.002 . 1 . . . A 76 ILE HB . 18445 1 725 . 1 1 75 75 ILE HG12 H 1 1.091 0.007 . 2 . . . A 76 ILE HG12 . 18445 1 726 . 1 1 75 75 ILE HG13 H 1 1.414 0.028 . 2 . . . A 76 ILE HG13 . 18445 1 727 . 1 1 75 75 ILE HG21 H 1 0.841 0.011 . 1 . . . A 76 ILE HG21 . 18445 1 728 . 1 1 75 75 ILE HG22 H 1 0.841 0.011 . 1 . . . A 76 ILE HG22 . 18445 1 729 . 1 1 75 75 ILE HG23 H 1 0.841 0.011 . 1 . . . A 76 ILE HG23 . 18445 1 730 . 1 1 75 75 ILE HD11 H 1 0.718 0.006 . 1 . . . A 76 ILE HD11 . 18445 1 731 . 1 1 75 75 ILE HD12 H 1 0.718 0.006 . 1 . . . A 76 ILE HD12 . 18445 1 732 . 1 1 75 75 ILE HD13 H 1 0.718 0.006 . 1 . . . A 76 ILE HD13 . 18445 1 733 . 1 1 75 75 ILE CA C 13 62.100 0.000 . 1 . . . A 76 ILE CA . 18445 1 734 . 1 1 75 75 ILE CB C 13 37.072 0.013 . 1 . . . A 76 ILE CB . 18445 1 735 . 1 1 75 75 ILE CG1 C 13 28.908 0.058 . 1 . . . A 76 ILE CG1 . 18445 1 736 . 1 1 75 75 ILE CG2 C 13 17.697 0.024 . 1 . . . A 76 ILE CG2 . 18445 1 737 . 1 1 75 75 ILE CD1 C 13 13.213 0.017 . 1 . . . A 76 ILE CD1 . 18445 1 738 . 1 1 76 76 ARG H H 1 8.540 0.002 . 1 . . . A 77 ARG H . 18445 1 739 . 1 1 76 76 ARG HA H 1 3.734 0.000 . 1 . . . A 77 ARG HA . 18445 1 740 . 1 1 76 76 ARG HB2 H 1 1.775 0.000 . 2 . . . A 77 ARG HB2 . 18445 1 741 . 1 1 76 76 ARG HB3 H 1 1.928 0.000 . 2 . . . A 77 ARG HB3 . 18445 1 742 . 1 1 76 76 ARG HG2 H 1 1.301 0.002 . 2 . . . A 77 ARG HG2 . 18445 1 743 . 1 1 76 76 ARG HG3 H 1 1.478 0.002 . 2 . . . A 77 ARG HG3 . 18445 1 744 . 1 1 76 76 ARG HD2 H 1 2.970 0.002 . 2 . . . A 77 ARG HD2 . 18445 1 745 . 1 1 76 76 ARG HD3 H 1 2.970 0.002 . 2 . . . A 77 ARG HD3 . 18445 1 746 . 1 1 76 76 ARG CA C 13 59.732 0.000 . 1 . . . A 77 ARG CA . 18445 1 747 . 1 1 76 76 ARG CB C 13 29.800 0.000 . 1 . . . A 77 ARG CB . 18445 1 748 . 1 1 76 76 ARG CG C 13 26.332 0.100 . 1 . . . A 77 ARG CG . 18445 1 749 . 1 1 76 76 ARG CD C 13 43.254 0.048 . 1 . . . A 77 ARG CD . 18445 1 750 . 1 1 77 77 SER H H 1 7.689 0.001 . 1 . . . A 78 SER H . 18445 1 751 . 1 1 77 77 SER HA H 1 4.096 0.007 . 1 . . . A 78 SER HA . 18445 1 752 . 1 1 77 77 SER HB2 H 1 3.808 0.014 . 2 . . . A 78 SER HB2 . 18445 1 753 . 1 1 77 77 SER HB3 H 1 3.808 0.014 . 2 . . . A 78 SER HB3 . 18445 1 754 . 1 1 77 77 SER CA C 13 61.213 0.011 . 1 . . . A 78 SER CA . 18445 1 755 . 1 1 77 77 SER CB C 13 62.023 0.024 . 1 . . . A 78 SER CB . 18445 1 756 . 1 1 78 78 LYS H H 1 7.328 0.006 . 1 . . . A 79 LYS H . 18445 1 757 . 1 1 78 78 LYS HA H 1 3.998 0.005 . 1 . . . A 79 LYS HA . 18445 1 758 . 1 1 78 78 LYS HB2 H 1 1.517 0.007 . 2 . . . A 79 LYS HB2 . 18445 1 759 . 1 1 78 78 LYS HB3 H 1 1.834 0.006 . 2 . . . A 79 LYS HB3 . 18445 1 760 . 1 1 78 78 LYS HG2 H 1 1.234 0.008 . 2 . . . A 79 LYS HG2 . 18445 1 761 . 1 1 78 78 LYS HG3 H 1 1.370 0.003 . 2 . . . A 79 LYS HG3 . 18445 1 762 . 1 1 78 78 LYS HD2 H 1 1.371 0.009 . 2 . . . A 79 LYS HD2 . 18445 1 763 . 1 1 78 78 LYS HD3 H 1 1.371 0.009 . 2 . . . A 79 LYS HD3 . 18445 1 764 . 1 1 78 78 LYS HE2 H 1 2.685 0.009 . 2 . . . A 79 LYS HE2 . 18445 1 765 . 1 1 78 78 LYS HE3 H 1 2.685 0.009 . 2 . . . A 79 LYS HE3 . 18445 1 766 . 1 1 78 78 LYS CA C 13 58.682 0.074 . 1 . . . A 79 LYS CA . 18445 1 767 . 1 1 78 78 LYS CB C 13 31.678 0.062 . 1 . . . A 79 LYS CB . 18445 1 768 . 1 1 78 78 LYS CG C 13 24.458 0.023 . 1 . . . A 79 LYS CG . 18445 1 769 . 1 1 78 78 LYS CD C 13 28.457 0.019 . 1 . . . A 79 LYS CD . 18445 1 770 . 1 1 78 78 LYS CE C 13 41.347 0.007 . 1 . . . A 79 LYS CE . 18445 1 771 . 1 1 79 79 LEU H H 1 8.470 0.012 . 1 . . . A 80 LEU H . 18445 1 772 . 1 1 79 79 LEU HA H 1 3.699 0.008 . 1 . . . A 80 LEU HA . 18445 1 773 . 1 1 79 79 LEU HB2 H 1 1.029 0.006 . 2 . . . A 80 LEU HB2 . 18445 1 774 . 1 1 79 79 LEU HB3 H 1 2.050 0.013 . 2 . . . A 80 LEU HB3 . 18445 1 775 . 1 1 79 79 LEU HG H 1 1.496 0.005 . 1 . . . A 80 LEU HG . 18445 1 776 . 1 1 79 79 LEU HD11 H 1 0.826 0.013 . 1 . . . A 80 LEU HD11 . 18445 1 777 . 1 1 79 79 LEU HD12 H 1 0.826 0.013 . 1 . . . A 80 LEU HD12 . 18445 1 778 . 1 1 79 79 LEU HD13 H 1 0.826 0.013 . 1 . . . A 80 LEU HD13 . 18445 1 779 . 1 1 79 79 LEU HD21 H 1 0.570 0.003 . 1 . . . A 80 LEU HD21 . 18445 1 780 . 1 1 79 79 LEU HD22 H 1 0.570 0.003 . 1 . . . A 80 LEU HD22 . 18445 1 781 . 1 1 79 79 LEU HD23 H 1 0.570 0.003 . 1 . . . A 80 LEU HD23 . 18445 1 782 . 1 1 79 79 LEU CA C 13 58.230 0.000 . 1 . . . A 80 LEU CA . 18445 1 783 . 1 1 79 79 LEU CB C 13 42.289 0.030 . 1 . . . A 80 LEU CB . 18445 1 784 . 1 1 79 79 LEU CG C 13 26.483 0.000 . 1 . . . A 80 LEU CG . 18445 1 785 . 1 1 79 79 LEU CD1 C 13 24.329 0.060 . 2 . . . A 80 LEU CD1 . 18445 1 786 . 1 1 79 79 LEU CD2 C 13 26.259 0.006 . 2 . . . A 80 LEU CD2 . 18445 1 787 . 1 1 80 80 GLN H H 1 8.381 0.005 . 1 . . . A 81 GLN H . 18445 1 788 . 1 1 80 80 GLN HA H 1 3.699 0.003 . 1 . . . A 81 GLN HA . 18445 1 789 . 1 1 80 80 GLN HB2 H 1 1.840 0.002 . 2 . . . A 81 GLN HB2 . 18445 1 790 . 1 1 80 80 GLN HB3 H 1 2.092 0.000 . 2 . . . A 81 GLN HB3 . 18445 1 791 . 1 1 80 80 GLN HG2 H 1 2.156 0.001 . 2 . . . A 81 GLN HG2 . 18445 1 792 . 1 1 80 80 GLN HG3 H 1 2.296 0.004 . 2 . . . A 81 GLN HG3 . 18445 1 793 . 1 1 80 80 GLN HE21 H 1 7.627 0.001 . 2 . . . A 81 GLN HE21 . 18445 1 794 . 1 1 80 80 GLN HE22 H 1 6.462 0.002 . 2 . . . A 81 GLN HE22 . 18445 1 795 . 1 1 80 80 GLN CA C 13 58.309 0.000 . 1 . . . A 81 GLN CA . 18445 1 796 . 1 1 80 80 GLN CB C 13 27.518 0.017 . 1 . . . A 81 GLN CB . 18445 1 797 . 1 1 80 80 GLN CG C 13 33.050 0.028 . 1 . . . A 81 GLN CG . 18445 1 798 . 1 1 81 81 TYR H H 1 7.824 0.002 . 1 . . . A 82 TYR H . 18445 1 799 . 1 1 81 81 TYR HA H 1 4.130 0.007 . 1 . . . A 82 TYR HA . 18445 1 800 . 1 1 81 81 TYR HB2 H 1 2.914 0.011 . 2 . . . A 82 TYR HB2 . 18445 1 801 . 1 1 81 81 TYR HB3 H 1 3.083 0.008 . 2 . . . A 82 TYR HB3 . 18445 1 802 . 1 1 81 81 TYR HD1 H 1 6.915 0.009 . 3 . . . A 82 TYR HD1 . 18445 1 803 . 1 1 81 81 TYR HD2 H 1 6.915 0.009 . 3 . . . A 82 TYR HD2 . 18445 1 804 . 1 1 81 81 TYR HE1 H 1 6.616 0.003 . 3 . . . A 82 TYR HE1 . 18445 1 805 . 1 1 81 81 TYR HE2 H 1 6.616 0.003 . 3 . . . A 82 TYR HE2 . 18445 1 806 . 1 1 81 81 TYR CA C 13 60.304 0.023 . 1 . . . A 82 TYR CA . 18445 1 807 . 1 1 81 81 TYR CB C 13 37.712 0.036 . 1 . . . A 82 TYR CB . 18445 1 808 . 1 1 82 82 ARG H H 1 8.180 0.003 . 1 . . . A 83 ARG H . 18445 1 809 . 1 1 82 82 ARG HA H 1 3.709 0.013 . 1 . . . A 83 ARG HA . 18445 1 810 . 1 1 82 82 ARG HB2 H 1 1.483 0.000 . 2 . . . A 83 ARG HB2 . 18445 1 811 . 1 1 82 82 ARG HB3 H 1 1.897 0.003 . 2 . . . A 83 ARG HB3 . 18445 1 812 . 1 1 82 82 ARG HG2 H 1 1.317 0.004 . 2 . . . A 83 ARG HG2 . 18445 1 813 . 1 1 82 82 ARG HG3 H 1 1.690 0.000 . 2 . . . A 83 ARG HG3 . 18445 1 814 . 1 1 82 82 ARG HD2 H 1 3.378 0.000 . 2 . . . A 83 ARG HD2 . 18445 1 815 . 1 1 82 82 ARG HD3 H 1 3.378 0.000 . 2 . . . A 83 ARG HD3 . 18445 1 816 . 1 1 82 82 ARG CA C 13 59.682 0.000 . 1 . . . A 83 ARG CA . 18445 1 817 . 1 1 82 82 ARG CB C 13 29.429 0.101 . 1 . . . A 83 ARG CB . 18445 1 818 . 1 1 82 82 ARG CG C 13 29.200 0.000 . 1 . . . A 83 ARG CG . 18445 1 819 . 1 1 82 82 ARG CD C 13 39.375 0.000 . 1 . . . A 83 ARG CD . 18445 1 820 . 1 1 83 83 LEU H H 1 8.215 0.020 . 1 . . . A 84 LEU H . 18445 1 821 . 1 1 83 83 LEU HA H 1 3.715 0.004 . 1 . . . A 84 LEU HA . 18445 1 822 . 1 1 83 83 LEU HB2 H 1 1.209 0.038 . 2 . . . A 84 LEU HB2 . 18445 1 823 . 1 1 83 83 LEU HB3 H 1 1.907 0.004 . 2 . . . A 84 LEU HB3 . 18445 1 824 . 1 1 83 83 LEU HG H 1 1.252 0.001 . 1 . . . A 84 LEU HG . 18445 1 825 . 1 1 83 83 LEU HD11 H 1 0.756 0.003 . 1 . . . A 84 LEU HD11 . 18445 1 826 . 1 1 83 83 LEU HD12 H 1 0.756 0.003 . 1 . . . A 84 LEU HD12 . 18445 1 827 . 1 1 83 83 LEU HD13 H 1 0.756 0.003 . 1 . . . A 84 LEU HD13 . 18445 1 828 . 1 1 83 83 LEU HD21 H 1 0.605 0.000 . 1 . . . A 84 LEU HD21 . 18445 1 829 . 1 1 83 83 LEU HD22 H 1 0.605 0.000 . 1 . . . A 84 LEU HD22 . 18445 1 830 . 1 1 83 83 LEU HD23 H 1 0.605 0.000 . 1 . . . A 84 LEU HD23 . 18445 1 831 . 1 1 83 83 LEU CA C 13 58.135 0.012 . 1 . . . A 84 LEU CA . 18445 1 832 . 1 1 83 83 LEU CB C 13 41.274 0.016 . 1 . . . A 84 LEU CB . 18445 1 833 . 1 1 83 83 LEU CG C 13 26.404 0.006 . 1 . . . A 84 LEU CG . 18445 1 834 . 1 1 83 83 LEU CD1 C 13 24.785 0.059 . 2 . . . A 84 LEU CD1 . 18445 1 835 . 1 1 83 83 LEU CD2 C 13 25.473 0.020 . 2 . . . A 84 LEU CD2 . 18445 1 836 . 1 1 84 84 GLU H H 1 7.620 0.003 . 1 . . . A 85 GLU H . 18445 1 837 . 1 1 84 84 GLU HA H 1 3.720 0.020 . 1 . . . A 85 GLU HA . 18445 1 838 . 1 1 84 84 GLU HB2 H 1 1.780 0.000 . 2 . . . A 85 GLU HB2 . 18445 1 839 . 1 1 84 84 GLU HB3 H 1 1.883 0.000 . 2 . . . A 85 GLU HB3 . 18445 1 840 . 1 1 84 84 GLU HG2 H 1 1.998 0.004 . 2 . . . A 85 GLU HG2 . 18445 1 841 . 1 1 84 84 GLU HG3 H 1 2.290 0.000 . 2 . . . A 85 GLU HG3 . 18445 1 842 . 1 1 84 84 GLU CA C 13 58.286 0.000 . 1 . . . A 85 GLU CA . 18445 1 843 . 1 1 84 84 GLU CB C 13 28.528 0.002 . 1 . . . A 85 GLU CB . 18445 1 844 . 1 1 84 84 GLU CG C 13 36.166 0.067 . 1 . . . A 85 GLU CG . 18445 1 845 . 1 1 85 85 LEU H H 1 8.034 0.007 . 1 . . . A 86 LEU H . 18445 1 846 . 1 1 85 85 LEU HA H 1 3.663 0.003 . 1 . . . A 86 LEU HA . 18445 1 847 . 1 1 85 85 LEU HB2 H 1 1.308 0.011 . 2 . . . A 86 LEU HB2 . 18445 1 848 . 1 1 85 85 LEU HB3 H 1 1.308 0.011 . 2 . . . A 86 LEU HB3 . 18445 1 849 . 1 1 85 85 LEU HG H 1 1.161 0.009 . 1 . . . A 86 LEU HG . 18445 1 850 . 1 1 85 85 LEU HD11 H 1 0.688 0.002 . 1 . . . A 86 LEU HD11 . 18445 1 851 . 1 1 85 85 LEU HD12 H 1 0.688 0.002 . 1 . . . A 86 LEU HD12 . 18445 1 852 . 1 1 85 85 LEU HD13 H 1 0.688 0.002 . 1 . . . A 86 LEU HD13 . 18445 1 853 . 1 1 85 85 LEU HD21 H 1 0.566 0.011 . 1 . . . A 86 LEU HD21 . 18445 1 854 . 1 1 85 85 LEU HD22 H 1 0.566 0.011 . 1 . . . A 86 LEU HD22 . 18445 1 855 . 1 1 85 85 LEU HD23 H 1 0.566 0.011 . 1 . . . A 86 LEU HD23 . 18445 1 856 . 1 1 85 85 LEU CA C 13 57.238 0.012 . 1 . . . A 86 LEU CA . 18445 1 857 . 1 1 85 85 LEU CB C 13 41.900 0.014 . 1 . . . A 86 LEU CB . 18445 1 858 . 1 1 85 85 LEU CG C 13 26.115 0.167 . 1 . . . A 86 LEU CG . 18445 1 859 . 1 1 85 85 LEU CD1 C 13 20.143 0.105 . 2 . . . A 86 LEU CD1 . 18445 1 860 . 1 1 85 85 LEU CD2 C 13 26.288 0.000 . 2 . . . A 86 LEU CD2 . 18445 1 861 . 1 1 86 86 ALA H H 1 8.166 0.000 . 1 . . . A 87 ALA H . 18445 1 862 . 1 1 86 86 ALA HA H 1 3.694 0.002 . 1 . . . A 87 ALA HA . 18445 1 863 . 1 1 86 86 ALA HB1 H 1 1.371 0.005 . 1 . . . A 87 ALA HB1 . 18445 1 864 . 1 1 86 86 ALA HB2 H 1 1.371 0.005 . 1 . . . A 87 ALA HB2 . 18445 1 865 . 1 1 86 86 ALA HB3 H 1 1.371 0.005 . 1 . . . A 87 ALA HB3 . 18445 1 866 . 1 1 86 86 ALA CA C 13 54.700 0.000 . 1 . . . A 87 ALA CA . 18445 1 867 . 1 1 86 86 ALA CB C 13 18.314 0.012 . 1 . . . A 87 ALA CB . 18445 1 868 . 1 1 87 87 GLN H H 1 8.568 0.002 . 1 . . . A 88 GLN H . 18445 1 869 . 1 1 87 87 GLN HA H 1 3.731 0.003 . 1 . . . A 88 GLN HA . 18445 1 870 . 1 1 87 87 GLN HB2 H 1 1.701 0.000 . 2 . . . A 88 GLN HB2 . 18445 1 871 . 1 1 87 87 GLN HB3 H 1 1.955 0.000 . 2 . . . A 88 GLN HB3 . 18445 1 872 . 1 1 87 87 GLN HG2 H 1 2.068 0.004 . 2 . . . A 88 GLN HG2 . 18445 1 873 . 1 1 87 87 GLN HG3 H 1 2.388 0.000 . 2 . . . A 88 GLN HG3 . 18445 1 874 . 1 1 87 87 GLN HE21 H 1 7.136 0.000 . 2 . . . A 88 GLN HE21 . 18445 1 875 . 1 1 87 87 GLN HE22 H 1 5.322 0.000 . 2 . . . A 88 GLN HE22 . 18445 1 876 . 1 1 87 87 GLN CA C 13 58.273 0.000 . 1 . . . A 88 GLN CA . 18445 1 877 . 1 1 87 87 GLN CB C 13 28.090 0.011 . 1 . . . A 88 GLN CB . 18445 1 878 . 1 1 87 87 GLN CG C 13 34.031 0.076 . 1 . . . A 88 GLN CG . 18445 1 879 . 1 1 88 88 GLY H H 1 7.812 0.000 . 1 . . . A 89 GLY H . 18445 1 880 . 1 1 88 88 GLY HA2 H 1 3.541 0.002 . 2 . . . A 89 GLY HA2 . 18445 1 881 . 1 1 88 88 GLY HA3 H 1 3.668 0.003 . 2 . . . A 89 GLY HA3 . 18445 1 882 . 1 1 88 88 GLY CA C 13 45.466 0.012 . 1 . . . A 89 GLY CA . 18445 1 883 . 1 1 89 89 ALA H H 1 7.135 0.001 . 1 . . . A 90 ALA H . 18445 1 884 . 1 1 89 89 ALA HA H 1 3.703 0.003 . 1 . . . A 90 ALA HA . 18445 1 885 . 1 1 89 89 ALA HB1 H 1 0.372 0.000 . 1 . . . A 90 ALA HB1 . 18445 1 886 . 1 1 89 89 ALA HB2 H 1 0.372 0.000 . 1 . . . A 90 ALA HB2 . 18445 1 887 . 1 1 89 89 ALA HB3 H 1 0.372 0.000 . 1 . . . A 90 ALA HB3 . 18445 1 888 . 1 1 89 89 ALA CA C 13 52.478 0.001 . 1 . . . A 90 ALA CA . 18445 1 889 . 1 1 89 89 ALA CB C 13 16.691 0.001 . 1 . . . A 90 ALA CB . 18445 1 890 . 1 1 90 90 VAL H H 1 7.126 0.004 . 1 . . . A 91 VAL H . 18445 1 891 . 1 1 90 90 VAL HA H 1 3.766 0.011 . 1 . . . A 91 VAL HA . 18445 1 892 . 1 1 90 90 VAL HB H 1 1.895 0.003 . 1 . . . A 91 VAL HB . 18445 1 893 . 1 1 90 90 VAL HG11 H 1 0.812 0.000 . 1 . . . A 91 VAL HG11 . 18445 1 894 . 1 1 90 90 VAL HG12 H 1 0.812 0.000 . 1 . . . A 91 VAL HG12 . 18445 1 895 . 1 1 90 90 VAL HG13 H 1 0.812 0.000 . 1 . . . A 91 VAL HG13 . 18445 1 896 . 1 1 90 90 VAL HG21 H 1 0.740 0.006 . 1 . . . A 91 VAL HG21 . 18445 1 897 . 1 1 90 90 VAL HG22 H 1 0.740 0.006 . 1 . . . A 91 VAL HG22 . 18445 1 898 . 1 1 90 90 VAL HG23 H 1 0.740 0.006 . 1 . . . A 91 VAL HG23 . 18445 1 899 . 1 1 90 90 VAL CA C 13 62.858 0.012 . 1 . . . A 91 VAL CA . 18445 1 900 . 1 1 90 90 VAL CB C 13 31.648 0.048 . 1 . . . A 91 VAL CB . 18445 1 901 . 1 1 90 90 VAL CG1 C 13 20.848 0.002 . 2 . . . A 91 VAL CG1 . 18445 1 902 . 1 1 90 90 VAL CG2 C 13 20.358 0.080 . 2 . . . A 91 VAL CG2 . 18445 1 903 . 1 1 91 91 GLY H H 1 7.880 0.000 . 1 . . . A 92 GLY H . 18445 1 904 . 1 1 91 91 GLY HA2 H 1 3.766 0.002 . 2 . . . A 92 GLY HA2 . 18445 1 905 . 1 1 91 91 GLY HA3 H 1 3.766 0.002 . 2 . . . A 92 GLY HA3 . 18445 1 906 . 1 1 91 91 GLY CA C 13 44.736 0.014 . 1 . . . A 92 GLY CA . 18445 1 907 . 1 1 92 92 SER H H 1 7.912 0.004 . 1 . . . A 93 SER H . 18445 1 908 . 1 1 92 92 SER HA H 1 4.279 0.004 . 1 . . . A 93 SER HA . 18445 1 909 . 1 1 92 92 SER HB2 H 1 3.670 0.001 . 2 . . . A 93 SER HB2 . 18445 1 910 . 1 1 92 92 SER HB3 H 1 3.670 0.001 . 2 . . . A 93 SER HB3 . 18445 1 911 . 1 1 92 92 SER CA C 13 57.702 0.014 . 1 . . . A 93 SER CA . 18445 1 912 . 1 1 92 92 SER CB C 13 63.305 0.024 . 1 . . . A 93 SER CB . 18445 1 913 . 1 1 93 93 VAL H H 1 7.912 0.001 . 1 . . . A 94 VAL H . 18445 1 914 . 1 1 93 93 VAL HA H 1 3.956 0.003 . 1 . . . A 94 VAL HA . 18445 1 915 . 1 1 93 93 VAL HB H 1 1.895 0.001 . 1 . . . A 94 VAL HB . 18445 1 916 . 1 1 93 93 VAL HG11 H 1 0.735 0.000 . 1 . . . A 94 VAL HG11 . 18445 1 917 . 1 1 93 93 VAL HG12 H 1 0.735 0.000 . 1 . . . A 94 VAL HG12 . 18445 1 918 . 1 1 93 93 VAL HG13 H 1 0.735 0.000 . 1 . . . A 94 VAL HG13 . 18445 1 919 . 1 1 93 93 VAL HG21 H 1 0.733 0.000 . 1 . . . A 94 VAL HG21 . 18445 1 920 . 1 1 93 93 VAL HG22 H 1 0.733 0.000 . 1 . . . A 94 VAL HG22 . 18445 1 921 . 1 1 93 93 VAL HG23 H 1 0.733 0.000 . 1 . . . A 94 VAL HG23 . 18445 1 922 . 1 1 93 93 VAL CA C 13 61.657 0.017 . 1 . . . A 94 VAL CA . 18445 1 923 . 1 1 93 93 VAL CB C 13 31.967 0.000 . 1 . . . A 94 VAL CB . 18445 1 924 . 1 1 93 93 VAL CG1 C 13 19.893 0.000 . 2 . . . A 94 VAL CG1 . 18445 1 925 . 1 1 93 93 VAL CG2 C 13 20.153 0.000 . 2 . . . A 94 VAL CG2 . 18445 1 926 . 1 1 94 94 GLN H H 1 8.227 0.000 . 1 . . . A 95 GLN H . 18445 1 927 . 1 1 94 94 GLN HA H 1 4.144 0.002 . 1 . . . A 95 GLN HA . 18445 1 928 . 1 1 94 94 GLN HB2 H 1 1.818 0.000 . 2 . . . A 95 GLN HB2 . 18445 1 929 . 1 1 94 94 GLN HB3 H 1 1.724 0.000 . 2 . . . A 95 GLN HB3 . 18445 1 930 . 1 1 94 94 GLN HG2 H 1 2.117 0.000 . 2 . . . A 95 GLN HG2 . 18445 1 931 . 1 1 94 94 GLN HG3 H 1 2.117 0.000 . 2 . . . A 95 GLN HG3 . 18445 1 932 . 1 1 94 94 GLN HE21 H 1 7.308 0.000 . 2 . . . A 95 GLN HE21 . 18445 1 933 . 1 1 94 94 GLN HE22 H 1 6.691 0.000 . 2 . . . A 95 GLN HE22 . 18445 1 934 . 1 1 94 94 GLN CA C 13 54.802 0.000 . 1 . . . A 95 GLN CA . 18445 1 935 . 1 1 94 94 GLN CB C 13 28.880 0.020 . 1 . . . A 95 GLN CB . 18445 1 936 . 1 1 94 94 GLN CG C 13 33.194 0.009 . 1 . . . A 95 GLN CG . 18445 1 937 . 1 1 95 95 ILE H H 1 7.718 0.001 . 1 . . . A 96 ILE H . 18445 1 938 . 1 1 95 95 ILE HA H 1 4.113 0.010 . 1 . . . A 96 ILE HA . 18445 1 939 . 1 1 95 95 ILE HB H 1 1.575 0.005 . 1 . . . A 96 ILE HB . 18445 1 940 . 1 1 95 95 ILE HG12 H 1 0.633 0.002 . 1 . . . A 96 ILE HG12 . 18445 1 941 . 1 1 95 95 ILE HG13 H 1 0.633 0.002 . 1 . . . A 96 ILE HG13 . 18445 1 942 . 1 1 95 95 ILE HG21 H 1 0.670 0.001 . 1 . . . A 96 ILE HG21 . 18445 1 943 . 1 1 95 95 ILE HG22 H 1 0.670 0.001 . 1 . . . A 96 ILE HG22 . 18445 1 944 . 1 1 95 95 ILE HG23 H 1 0.670 0.001 . 1 . . . A 96 ILE HG23 . 18445 1 945 . 1 1 95 95 ILE CA C 13 57.053 0.032 . 1 . . . A 96 ILE CA . 18445 1 946 . 1 1 95 95 ILE CB C 13 40.083 0.013 . 1 . . . A 96 ILE CB . 18445 1 947 . 1 1 95 95 ILE CG1 C 13 22.565 0.100 . 1 . . . A 96 ILE CG1 . 18445 1 948 . 1 1 95 95 ILE CG2 C 13 16.529 0.013 . 1 . . . A 96 ILE CG2 . 18445 1 949 . 1 1 96 96 PRO HA H 1 4.219 0.013 . 1 . . . A 97 PRO HA . 18445 1 950 . 1 1 96 96 PRO HB2 H 1 1.623 0.010 . 2 . . . A 97 PRO HB2 . 18445 1 951 . 1 1 96 96 PRO HB3 H 1 2.051 0.003 . 2 . . . A 97 PRO HB3 . 18445 1 952 . 1 1 96 96 PRO HG2 H 1 1.780 0.015 . 2 . . . A 97 PRO HG2 . 18445 1 953 . 1 1 96 96 PRO HG3 H 1 1.780 0.015 . 2 . . . A 97 PRO HG3 . 18445 1 954 . 1 1 96 96 PRO HD2 H 1 3.468 0.006 . 2 . . . A 97 PRO HD2 . 18445 1 955 . 1 1 96 96 PRO HD3 H 1 3.689 0.001 . 2 . . . A 97 PRO HD3 . 18445 1 956 . 1 1 96 96 PRO CA C 13 62.447 0.030 . 1 . . . A 97 PRO CA . 18445 1 957 . 1 1 96 96 PRO CB C 13 31.535 0.024 . 1 . . . A 97 PRO CB . 18445 1 958 . 1 1 96 96 PRO CG C 13 26.834 0.069 . 1 . . . A 97 PRO CG . 18445 1 959 . 1 1 96 96 PRO CD C 13 50.452 0.040 . 1 . . . A 97 PRO CD . 18445 1 960 . 1 1 97 97 VAL H H 1 8.101 0.006 . 1 . . . A 98 VAL H . 18445 1 961 . 1 1 97 97 VAL HA H 1 3.870 0.006 . 1 . . . A 98 VAL HA . 18445 1 962 . 1 1 97 97 VAL HB H 1 1.828 0.000 . 1 . . . A 98 VAL HB . 18445 1 963 . 1 1 97 97 VAL CA C 13 61.853 0.000 . 1 . . . A 98 VAL CA . 18445 1 964 . 1 1 97 97 VAL CB C 13 32.192 0.000 . 1 . . . A 98 VAL CB . 18445 1 965 . 1 1 98 98 VAL H H 1 8.060 0.017 . 1 . . . A 99 VAL H . 18445 1 966 . 1 1 98 98 VAL HA H 1 3.849 0.002 . 1 . . . A 99 VAL HA . 18445 1 967 . 1 1 98 98 VAL HB H 1 1.804 0.004 . 1 . . . A 99 VAL HB . 18445 1 968 . 1 1 98 98 VAL HG11 H 1 0.746 0.000 . 1 . . . A 99 VAL HG11 . 18445 1 969 . 1 1 98 98 VAL HG12 H 1 0.746 0.000 . 1 . . . A 99 VAL HG12 . 18445 1 970 . 1 1 98 98 VAL HG13 H 1 0.746 0.000 . 1 . . . A 99 VAL HG13 . 18445 1 971 . 1 1 98 98 VAL HG21 H 1 0.746 0.000 . 1 . . . A 99 VAL HG21 . 18445 1 972 . 1 1 98 98 VAL HG22 H 1 0.746 0.000 . 1 . . . A 99 VAL HG22 . 18445 1 973 . 1 1 98 98 VAL HG23 H 1 0.746 0.000 . 1 . . . A 99 VAL HG23 . 18445 1 974 . 1 1 98 98 VAL CA C 13 61.812 0.041 . 1 . . . A 99 VAL CA . 18445 1 975 . 1 1 98 98 VAL CB C 13 32.000 0.000 . 1 . . . A 99 VAL CB . 18445 1 976 . 1 1 98 98 VAL CG1 C 13 20.236 0.000 . 2 . . . A 99 VAL CG1 . 18445 1 977 . 1 1 98 98 VAL CG2 C 13 20.200 0.000 . 2 . . . A 99 VAL CG2 . 18445 1 978 . 1 1 99 99 GLU H H 1 8.361 0.010 . 1 . . . A 100 GLU H . 18445 1 979 . 1 1 99 99 GLU HA H 1 4.136 0.002 . 1 . . . A 100 GLU HA . 18445 1 980 . 1 1 99 99 GLU HB2 H 1 1.672 0.003 . 2 . . . A 100 GLU HB2 . 18445 1 981 . 1 1 99 99 GLU HB3 H 1 1.809 0.012 . 2 . . . A 100 GLU HB3 . 18445 1 982 . 1 1 99 99 GLU HG2 H 1 2.026 0.021 . 2 . . . A 100 GLU HG2 . 18445 1 983 . 1 1 99 99 GLU HG3 H 1 2.026 0.021 . 2 . . . A 100 GLU HG3 . 18445 1 984 . 1 1 99 99 GLU CA C 13 55.528 0.098 . 1 . . . A 100 GLU CA . 18445 1 985 . 1 1 99 99 GLU CB C 13 29.797 0.057 . 1 . . . A 100 GLU CB . 18445 1 986 . 1 1 99 99 GLU CG C 13 35.636 0.045 . 1 . . . A 100 GLU CG . 18445 1 987 . 1 1 100 100 VAL H H 1 8.056 0.006 . 1 . . . A 101 VAL H . 18445 1 988 . 1 1 100 100 VAL HA H 1 3.872 0.000 . 1 . . . A 101 VAL HA . 18445 1 989 . 1 1 100 100 VAL HB H 1 1.814 0.014 . 1 . . . A 101 VAL HB . 18445 1 990 . 1 1 100 100 VAL HG11 H 1 0.689 0.000 . 1 . . . A 101 VAL HG11 . 18445 1 991 . 1 1 100 100 VAL HG12 H 1 0.689 0.000 . 1 . . . A 101 VAL HG12 . 18445 1 992 . 1 1 100 100 VAL HG13 H 1 0.689 0.000 . 1 . . . A 101 VAL HG13 . 18445 1 993 . 1 1 100 100 VAL HG21 H 1 0.689 0.000 . 1 . . . A 101 VAL HG21 . 18445 1 994 . 1 1 100 100 VAL HG22 H 1 0.689 0.000 . 1 . . . A 101 VAL HG22 . 18445 1 995 . 1 1 100 100 VAL HG23 H 1 0.689 0.000 . 1 . . . A 101 VAL HG23 . 18445 1 996 . 1 1 100 100 VAL CA C 13 61.631 0.000 . 1 . . . A 101 VAL CA . 18445 1 997 . 1 1 100 100 VAL CB C 13 32.400 0.000 . 1 . . . A 101 VAL CB . 18445 1 998 . 1 1 100 100 VAL CG1 C 13 20.400 0.000 . 2 . . . A 101 VAL CG1 . 18445 1 999 . 1 1 100 100 VAL CG2 C 13 20.400 0.000 . 2 . . . A 101 VAL CG2 . 18445 1 1000 . 1 1 101 101 ASP H H 1 8.182 0.000 . 1 . . . A 102 ASP H . 18445 1 1001 . 1 1 101 101 ASP HA H 1 4.355 0.010 . 1 . . . A 102 ASP HA . 18445 1 1002 . 1 1 101 101 ASP HB2 H 1 2.333 0.005 . 2 . . . A 102 ASP HB2 . 18445 1 1003 . 1 1 101 101 ASP HB3 H 1 2.438 0.003 . 2 . . . A 102 ASP HB3 . 18445 1 1004 . 1 1 101 101 ASP CA C 13 53.748 0.001 . 1 . . . A 102 ASP CA . 18445 1 1005 . 1 1 101 101 ASP CB C 13 40.455 0.007 . 1 . . . A 102 ASP CB . 18445 1 1006 . 1 1 102 102 GLU H H 1 8.059 0.017 . 1 . . . A 103 GLU H . 18445 1 1007 . 1 1 102 102 GLU HA H 1 4.037 0.004 . 1 . . . A 103 GLU HA . 18445 1 1008 . 1 1 102 102 GLU HB2 H 1 1.661 0.000 . 2 . . . A 103 GLU HB2 . 18445 1 1009 . 1 1 102 102 GLU HB3 H 1 1.800 0.000 . 2 . . . A 103 GLU HB3 . 18445 1 1010 . 1 1 102 102 GLU HG2 H 1 1.973 0.003 . 2 . . . A 103 GLU HG2 . 18445 1 1011 . 1 1 102 102 GLU HG3 H 1 2.022 0.001 . 2 . . . A 103 GLU HG3 . 18445 1 1012 . 1 1 102 102 GLU CA C 13 55.437 0.000 . 1 . . . A 103 GLU CA . 18445 1 1013 . 1 1 102 102 GLU CB C 13 29.852 0.045 . 1 . . . A 103 GLU CB . 18445 1 1014 . 1 1 102 102 GLU CG C 13 35.589 0.057 . 1 . . . A 103 GLU CG . 18445 1 1015 . 1 1 103 103 LEU H H 1 8.093 0.001 . 1 . . . A 104 LEU H . 18445 1 1016 . 1 1 103 103 LEU HA H 1 4.294 0.003 . 1 . . . A 104 LEU HA . 18445 1 1017 . 1 1 103 103 LEU HB2 H 1 1.345 0.002 . 2 . . . A 104 LEU HB2 . 18445 1 1018 . 1 1 103 103 LEU HB3 H 1 1.131 0.001 . 2 . . . A 104 LEU HB3 . 18445 1 1019 . 1 1 103 103 LEU HG H 1 1.355 0.002 . 1 . . . A 104 LEU HG . 18445 1 1020 . 1 1 103 103 LEU HD11 H 1 0.589 0.000 . 1 . . . A 104 LEU HD11 . 18445 1 1021 . 1 1 103 103 LEU HD12 H 1 0.589 0.000 . 1 . . . A 104 LEU HD12 . 18445 1 1022 . 1 1 103 103 LEU HD13 H 1 0.589 0.000 . 1 . . . A 104 LEU HD13 . 18445 1 1023 . 1 1 103 103 LEU HD21 H 1 0.521 0.000 . 1 . . . A 104 LEU HD21 . 18445 1 1024 . 1 1 103 103 LEU HD22 H 1 0.521 0.000 . 1 . . . A 104 LEU HD22 . 18445 1 1025 . 1 1 103 103 LEU HD23 H 1 0.521 0.000 . 1 . . . A 104 LEU HD23 . 18445 1 1026 . 1 1 103 103 LEU CA C 13 52.196 0.000 . 1 . . . A 104 LEU CA . 18445 1 1027 . 1 1 103 103 LEU CB C 13 40.990 0.037 . 1 . . . A 104 LEU CB . 18445 1 1028 . 1 1 103 103 LEU CG C 13 26.267 0.020 . 1 . . . A 104 LEU CG . 18445 1 1029 . 1 1 103 103 LEU CD1 C 13 24.625 0.000 . 2 . . . A 104 LEU CD1 . 18445 1 1030 . 1 1 103 103 LEU CD2 C 13 22.526 0.000 . 2 . . . A 104 LEU CD2 . 18445 1 1031 . 1 1 104 104 PRO HA H 1 4.174 0.009 . 1 . . . A 105 PRO HA . 18445 1 1032 . 1 1 104 104 PRO HB2 H 1 1.659 0.003 . 2 . . . A 105 PRO HB2 . 18445 1 1033 . 1 1 104 104 PRO HB3 H 1 2.043 0.003 . 2 . . . A 105 PRO HB3 . 18445 1 1034 . 1 1 104 104 PRO HG2 H 1 1.740 0.004 . 2 . . . A 105 PRO HG2 . 18445 1 1035 . 1 1 104 104 PRO HG3 H 1 1.740 0.004 . 2 . . . A 105 PRO HG3 . 18445 1 1036 . 1 1 104 104 PRO HD2 H 1 3.226 0.001 . 2 . . . A 105 PRO HD2 . 18445 1 1037 . 1 1 104 104 PRO HD3 H 1 3.515 0.005 . 2 . . . A 105 PRO HD3 . 18445 1 1038 . 1 1 104 104 PRO CA C 13 62.294 0.020 . 1 . . . A 105 PRO CA . 18445 1 1039 . 1 1 104 104 PRO CB C 13 31.442 0.026 . 1 . . . A 105 PRO CB . 18445 1 1040 . 1 1 104 104 PRO CG C 13 26.806 0.014 . 1 . . . A 105 PRO CG . 18445 1 1041 . 1 1 104 104 PRO CD C 13 49.796 0.041 . 1 . . . A 105 PRO CD . 18445 1 1042 . 1 1 105 105 GLU H H 1 8.400 0.003 . 1 . . . A 106 GLU H . 18445 1 1043 . 1 1 105 105 GLU HA H 1 3.959 0.006 . 1 . . . A 106 GLU HA . 18445 1 1044 . 1 1 105 105 GLU HB2 H 1 1.764 0.003 . 2 . . . A 106 GLU HB2 . 18445 1 1045 . 1 1 105 105 GLU HB3 H 1 1.764 0.003 . 2 . . . A 106 GLU HB3 . 18445 1 1046 . 1 1 105 105 GLU HG2 H 1 2.052 0.012 . 2 . . . A 106 GLU HG2 . 18445 1 1047 . 1 1 105 105 GLU HG3 H 1 2.052 0.012 . 2 . . . A 106 GLU HG3 . 18445 1 1048 . 1 1 105 105 GLU CA C 13 56.725 0.027 . 1 . . . A 106 GLU CA . 18445 1 1049 . 1 1 105 105 GLU CB C 13 29.294 0.037 . 1 . . . A 106 GLU CB . 18445 1 1050 . 1 1 105 105 GLU CG C 13 35.570 0.069 . 1 . . . A 106 GLU CG . 18445 1 1051 . 1 1 106 106 GLY HA2 H 1 3.623 0.002 . 2 . . . A 107 GLY HA2 . 18445 1 1052 . 1 1 106 106 GLY HA3 H 1 3.770 0.003 . 2 . . . A 107 GLY HA3 . 18445 1 1053 . 1 1 106 106 GLY CA C 13 44.648 0.013 . 1 . . . A 107 GLY CA . 18445 1 1054 . 1 1 107 107 TYR H H 1 7.696 0.006 . 1 . . . A 108 TYR H . 18445 1 1055 . 1 1 107 107 TYR HA H 1 4.193 0.006 . 1 . . . A 108 TYR HA . 18445 1 1056 . 1 1 107 107 TYR HB2 H 1 2.780 0.011 . 2 . . . A 108 TYR HB2 . 18445 1 1057 . 1 1 107 107 TYR HB3 H 1 2.780 0.011 . 2 . . . A 108 TYR HB3 . 18445 1 1058 . 1 1 107 107 TYR HD1 H 1 6.861 0.006 . 3 . . . A 108 TYR HD1 . 18445 1 1059 . 1 1 107 107 TYR HD2 H 1 6.861 0.006 . 3 . . . A 108 TYR HD2 . 18445 1 1060 . 1 1 107 107 TYR HE1 H 1 6.598 0.004 . 3 . . . A 108 TYR HE1 . 18445 1 1061 . 1 1 107 107 TYR HE2 H 1 6.598 0.004 . 3 . . . A 108 TYR HE2 . 18445 1 1062 . 1 1 107 107 TYR CA C 13 57.802 0.023 . 1 . . . A 108 TYR CA . 18445 1 1063 . 1 1 107 107 TYR CB C 13 38.204 0.015 . 1 . . . A 108 TYR CB . 18445 1 1064 . 1 1 108 108 ASP H H 1 8.168 0.020 . 1 . . . A 109 ASP H . 18445 1 1065 . 1 1 108 108 ASP HA H 1 4.312 0.001 . 1 . . . A 109 ASP HA . 18445 1 1066 . 1 1 108 108 ASP HB2 H 1 2.341 0.011 . 2 . . . A 109 ASP HB2 . 18445 1 1067 . 1 1 108 108 ASP HB3 H 1 2.429 0.007 . 2 . . . A 109 ASP HB3 . 18445 1 1068 . 1 1 108 108 ASP CA C 13 53.112 0.027 . 1 . . . A 109 ASP CA . 18445 1 1069 . 1 1 108 108 ASP CB C 13 40.552 0.006 . 1 . . . A 109 ASP CB . 18445 1 1070 . 1 1 109 109 ARG H H 1 8.164 0.003 . 1 . . . A 110 ARG H . 18445 1 1071 . 1 1 109 109 ARG HA H 1 4.015 0.002 . 1 . . . A 110 ARG HA . 18445 1 1072 . 1 1 109 109 ARG HB2 H 1 1.552 0.003 . 2 . . . A 110 ARG HB2 . 18445 1 1073 . 1 1 109 109 ARG HB3 H 1 1.705 0.001 . 2 . . . A 110 ARG HB3 . 18445 1 1074 . 1 1 109 109 ARG HG2 H 1 1.432 0.000 . 2 . . . A 110 ARG HG2 . 18445 1 1075 . 1 1 109 109 ARG HG3 H 1 1.432 0.000 . 2 . . . A 110 ARG HG3 . 18445 1 1076 . 1 1 109 109 ARG HD2 H 1 2.973 0.000 . 2 . . . A 110 ARG HD2 . 18445 1 1077 . 1 1 109 109 ARG HD3 H 1 2.973 0.000 . 2 . . . A 110 ARG HD3 . 18445 1 1078 . 1 1 109 109 ARG CA C 13 56.033 0.000 . 1 . . . A 110 ARG CA . 18445 1 1079 . 1 1 109 109 ARG CB C 13 29.558 0.055 . 1 . . . A 110 ARG CB . 18445 1 1080 . 1 1 109 109 ARG CG C 13 26.565 0.000 . 1 . . . A 110 ARG CG . 18445 1 1081 . 1 1 109 109 ARG CD C 13 42.710 0.000 . 1 . . . A 110 ARG CD . 18445 1 1082 . 1 1 110 110 SER H H 1 8.214 0.000 . 1 . . . A 111 SER H . 18445 1 1083 . 1 1 110 110 SER HA H 1 4.126 0.000 . 1 . . . A 111 SER HA . 18445 1 1084 . 1 1 110 110 SER HB2 H 1 3.696 0.005 . 2 . . . A 111 SER HB2 . 18445 1 1085 . 1 1 110 110 SER HB3 H 1 3.696 0.005 . 2 . . . A 111 SER HB3 . 18445 1 1086 . 1 1 110 110 SER CA C 13 58.672 0.000 . 1 . . . A 111 SER CA . 18445 1 1087 . 1 1 110 110 SER CB C 13 63.052 0.048 . 1 . . . A 111 SER CB . 18445 1 stop_ save_