data_18825 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18825 _Entry.Title ; Complex structure of C-terminal CFTR peptide and extended PDZ1 domain from NHERF1. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-11-06 _Entry.Accession_date 2012-11-06 _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 Shibani Bhattacharya . . . 18825 2 Jeong Ju . H. . 18825 3 David Cowburn . . . 18825 4 Zimei Bu . . . 18825 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' . 18825 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PDZ domain' . 18825 Protein/Peptide . 18825 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18825 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 481 18825 '15N chemical shifts' 116 18825 '1H chemical shifts' 832 18825 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 . . 2013-07-09 2013-11-06 update BMRB 'update entry citation' 18825 1 . . 2013-04-22 2010-11-06 original author 'original release' 18825 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18824 'extended PDZ1 domain from NHERF1' 18825 BMRB 18826 'C-terminal CFTR peptide and extended PDZ2 domain from NHERF1' 18825 PDB 2M0U 'BMRB Entry Tracking System' 18825 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18825 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23583913 _Citation.Full_citation . _Citation.Title 'Ligand-Induced Dynamic Changes in Extended PDZ Domains from NHERF1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 425 _Citation.Journal_issue 14 _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 2509 _Citation.Page_last 2528 _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 Shibani Bhattacharya . . . 18825 1 2 'Jeong Ho' Ju . . . 18825 1 3 Natalia Orlova . . . 18825 1 4 'Jahan Ali' Khajeh . . . 18825 1 5 David Cowburn . . . 18825 1 6 Zimei Bu . . . 18825 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18825 _Assembly.ID 1 _Assembly.Name 'C-terminal CFTR peptide and extended PDZ1 domain from NHERF1' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'extended PDZ1 domain from NHERF1' 1 $PDZ1 A . yes native no no . . . 18825 1 2 'C-terminal CFTR peptide' 2 $CFTR B . yes native no no . . . 18825 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PDZ1 _Entity.Sf_category entity _Entity.Sf_framecode PDZ1 _Entity.Entry_ID 18825 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PDZ1 _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 ; GIDPFTMLPRLCCLEKGPNG YGFHLHGEKGKLGQYIRLVE PGSPAEKAGLLAGDRLVEVN GENVEKETHQQVVSRIRAAL NAVRLLVVDPETDEQLQKLG VQVREELLRAQEAPGQA ; _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 117 _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 12822.731 _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 18824 . PDZ1 . . . . . 100.00 117 100.00 100.00 1.46e-76 . . . . 18825 1 2 no PDB 1G9O . "First Pdz Domain Of The Human Na+H+ EXCHANGER REGULATORY Factor" . . . . . 76.92 91 100.00 100.00 1.89e-56 . . . . 18825 1 3 no PDB 2M0T . "Structural Characterization Of The Extended Pdz1 Domain From Nherf1" . . . . . 100.00 117 100.00 100.00 1.46e-76 . . . . 18825 1 4 no PDB 2M0U . "Complex Structure Of C-terminal Cftr Peptide And Extended Pdz1 Domain From Nherf1" . . . . . 100.00 117 100.00 100.00 1.46e-76 . . . . 18825 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 4 GLY . 18825 1 2 5 ILE . 18825 1 3 6 ASP . 18825 1 4 7 PRO . 18825 1 5 8 PHE . 18825 1 6 9 THR . 18825 1 7 10 MET . 18825 1 8 11 LEU . 18825 1 9 12 PRO . 18825 1 10 13 ARG . 18825 1 11 14 LEU . 18825 1 12 15 CYS . 18825 1 13 16 CYS . 18825 1 14 17 LEU . 18825 1 15 18 GLU . 18825 1 16 19 LYS . 18825 1 17 20 GLY . 18825 1 18 21 PRO . 18825 1 19 22 ASN . 18825 1 20 23 GLY . 18825 1 21 24 TYR . 18825 1 22 25 GLY . 18825 1 23 26 PHE . 18825 1 24 27 HIS . 18825 1 25 28 LEU . 18825 1 26 29 HIS . 18825 1 27 30 GLY . 18825 1 28 31 GLU . 18825 1 29 32 LYS . 18825 1 30 33 GLY . 18825 1 31 34 LYS . 18825 1 32 35 LEU . 18825 1 33 36 GLY . 18825 1 34 37 GLN . 18825 1 35 38 TYR . 18825 1 36 39 ILE . 18825 1 37 40 ARG . 18825 1 38 41 LEU . 18825 1 39 42 VAL . 18825 1 40 43 GLU . 18825 1 41 44 PRO . 18825 1 42 45 GLY . 18825 1 43 46 SER . 18825 1 44 47 PRO . 18825 1 45 48 ALA . 18825 1 46 49 GLU . 18825 1 47 50 LYS . 18825 1 48 51 ALA . 18825 1 49 52 GLY . 18825 1 50 53 LEU . 18825 1 51 54 LEU . 18825 1 52 55 ALA . 18825 1 53 56 GLY . 18825 1 54 57 ASP . 18825 1 55 58 ARG . 18825 1 56 59 LEU . 18825 1 57 60 VAL . 18825 1 58 61 GLU . 18825 1 59 62 VAL . 18825 1 60 63 ASN . 18825 1 61 64 GLY . 18825 1 62 65 GLU . 18825 1 63 66 ASN . 18825 1 64 67 VAL . 18825 1 65 68 GLU . 18825 1 66 69 LYS . 18825 1 67 70 GLU . 18825 1 68 71 THR . 18825 1 69 72 HIS . 18825 1 70 73 GLN . 18825 1 71 74 GLN . 18825 1 72 75 VAL . 18825 1 73 76 VAL . 18825 1 74 77 SER . 18825 1 75 78 ARG . 18825 1 76 79 ILE . 18825 1 77 80 ARG . 18825 1 78 81 ALA . 18825 1 79 82 ALA . 18825 1 80 83 LEU . 18825 1 81 84 ASN . 18825 1 82 85 ALA . 18825 1 83 86 VAL . 18825 1 84 87 ARG . 18825 1 85 88 LEU . 18825 1 86 89 LEU . 18825 1 87 90 VAL . 18825 1 88 91 VAL . 18825 1 89 92 ASP . 18825 1 90 93 PRO . 18825 1 91 94 GLU . 18825 1 92 95 THR . 18825 1 93 96 ASP . 18825 1 94 97 GLU . 18825 1 95 98 GLN . 18825 1 96 99 LEU . 18825 1 97 100 GLN . 18825 1 98 101 LYS . 18825 1 99 102 LEU . 18825 1 100 103 GLY . 18825 1 101 104 VAL . 18825 1 102 105 GLN . 18825 1 103 106 VAL . 18825 1 104 107 ARG . 18825 1 105 108 GLU . 18825 1 106 109 GLU . 18825 1 107 110 LEU . 18825 1 108 111 LEU . 18825 1 109 112 ARG . 18825 1 110 113 ALA . 18825 1 111 114 GLN . 18825 1 112 115 GLU . 18825 1 113 116 ALA . 18825 1 114 117 PRO . 18825 1 115 118 GLY . 18825 1 116 119 GLN . 18825 1 117 120 ALA . 18825 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18825 1 . ILE 2 2 18825 1 . ASP 3 3 18825 1 . PRO 4 4 18825 1 . PHE 5 5 18825 1 . THR 6 6 18825 1 . MET 7 7 18825 1 . LEU 8 8 18825 1 . PRO 9 9 18825 1 . ARG 10 10 18825 1 . LEU 11 11 18825 1 . CYS 12 12 18825 1 . CYS 13 13 18825 1 . LEU 14 14 18825 1 . GLU 15 15 18825 1 . LYS 16 16 18825 1 . GLY 17 17 18825 1 . PRO 18 18 18825 1 . ASN 19 19 18825 1 . GLY 20 20 18825 1 . TYR 21 21 18825 1 . GLY 22 22 18825 1 . PHE 23 23 18825 1 . HIS 24 24 18825 1 . LEU 25 25 18825 1 . HIS 26 26 18825 1 . GLY 27 27 18825 1 . GLU 28 28 18825 1 . LYS 29 29 18825 1 . GLY 30 30 18825 1 . LYS 31 31 18825 1 . LEU 32 32 18825 1 . GLY 33 33 18825 1 . GLN 34 34 18825 1 . TYR 35 35 18825 1 . ILE 36 36 18825 1 . ARG 37 37 18825 1 . LEU 38 38 18825 1 . VAL 39 39 18825 1 . GLU 40 40 18825 1 . PRO 41 41 18825 1 . GLY 42 42 18825 1 . SER 43 43 18825 1 . PRO 44 44 18825 1 . ALA 45 45 18825 1 . GLU 46 46 18825 1 . LYS 47 47 18825 1 . ALA 48 48 18825 1 . GLY 49 49 18825 1 . LEU 50 50 18825 1 . LEU 51 51 18825 1 . ALA 52 52 18825 1 . GLY 53 53 18825 1 . ASP 54 54 18825 1 . ARG 55 55 18825 1 . LEU 56 56 18825 1 . VAL 57 57 18825 1 . GLU 58 58 18825 1 . VAL 59 59 18825 1 . ASN 60 60 18825 1 . GLY 61 61 18825 1 . GLU 62 62 18825 1 . ASN 63 63 18825 1 . VAL 64 64 18825 1 . GLU 65 65 18825 1 . LYS 66 66 18825 1 . GLU 67 67 18825 1 . THR 68 68 18825 1 . HIS 69 69 18825 1 . GLN 70 70 18825 1 . GLN 71 71 18825 1 . VAL 72 72 18825 1 . VAL 73 73 18825 1 . SER 74 74 18825 1 . ARG 75 75 18825 1 . ILE 76 76 18825 1 . ARG 77 77 18825 1 . ALA 78 78 18825 1 . ALA 79 79 18825 1 . LEU 80 80 18825 1 . ASN 81 81 18825 1 . ALA 82 82 18825 1 . VAL 83 83 18825 1 . ARG 84 84 18825 1 . LEU 85 85 18825 1 . LEU 86 86 18825 1 . VAL 87 87 18825 1 . VAL 88 88 18825 1 . ASP 89 89 18825 1 . PRO 90 90 18825 1 . GLU 91 91 18825 1 . THR 92 92 18825 1 . ASP 93 93 18825 1 . GLU 94 94 18825 1 . GLN 95 95 18825 1 . LEU 96 96 18825 1 . GLN 97 97 18825 1 . LYS 98 98 18825 1 . LEU 99 99 18825 1 . GLY 100 100 18825 1 . VAL 101 101 18825 1 . GLN 102 102 18825 1 . VAL 103 103 18825 1 . ARG 104 104 18825 1 . GLU 105 105 18825 1 . GLU 106 106 18825 1 . LEU 107 107 18825 1 . LEU 108 108 18825 1 . ARG 109 109 18825 1 . ALA 110 110 18825 1 . GLN 111 111 18825 1 . GLU 112 112 18825 1 . ALA 113 113 18825 1 . PRO 114 114 18825 1 . GLY 115 115 18825 1 . GLN 116 116 18825 1 . ALA 117 117 18825 1 stop_ save_ save_CFTR _Entity.Sf_category entity _Entity.Sf_framecode CFTR _Entity.Entry_ID 18825 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CFTR _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code QDTRL _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 5 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 632.693 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 121 GLN . 18825 2 2 122 ASP . 18825 2 3 123 THR . 18825 2 4 124 ARG . 18825 2 5 125 LEU . 18825 2 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 . GLN 1 1 18825 2 . ASP 2 2 18825 2 . THR 3 3 18825 2 . ARG 4 4 18825 2 . LEU 5 5 18825 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18825 _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 $PDZ1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18825 1 2 2 $CFTR . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18825 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 18825 _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 $PDZ1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta 2 (DE3)' . . . . . . . . . . . . . . . pET151/D-TOPO . . . . . . 18825 1 2 2 $CFTR . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18825 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18825 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 PDZ1 '[U-99% 13C; U-99% 15N]' . . 1 $PDZ1 . . 286 . . uM . . . . 18825 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18825 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18825 1 4 DTT 'natural abundance' . . . . . . 0.5 . . mM . . . . 18825 1 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 18825 1 6 CFTR 'natural abundance' . . 2 $CFTR . . 275 . . uM . . . . 18825 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18825 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18825 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18825 _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' 150 . mM 18825 1 pH 7.5 . pH 18825 1 pressure 1 . atm 18825 1 temperature 288 . K 18825 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18825 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18825 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18825 1 processing 18825 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18825 _Software.ID 2 _Software.Name CARA _Software.Version 1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18825 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18825 2 'peak picking' 18825 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18825 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18825 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18825 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18825 _Software.ID 4 _Software.Name ARIA _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18825 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18825 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18825 _Software.ID 5 _Software.Name TALOS _Software.Version 1.01 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18825 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18825 5 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 18825 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18825 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18825 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 18825 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18825 _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 . 900 . . . 18825 1 2 spectrometer_2 Bruker Avance . 800 . . . 18825 1 3 spectrometer_3 Bruker Avance . 700 . . . 18825 1 4 spectrometer_4 Bruker Avance . 500 . . . 18825 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 18825 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18825 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18825 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18825 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18825 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18825 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18825 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18825 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18825 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18825 1 10 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 18825 1 11 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 18825 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 18825 1 13 '4D 13C,15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18825 1 14 '4D 13C,13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18825 1 15 '2D 13C,15N f1,f2-filtered NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18825 1 16 '2D 13C,15N f2-filtered NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18825 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 18825 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18825 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18825 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18825 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 18825 _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 1 '2D 1H-15N HSQC' . . . 18825 1 5 '3D 1H-13C NOESY aliphatic' . . . 18825 1 10 '3D HNCACB' . . . 18825 1 12 '3D HCCH-TOCSY' . . . 18825 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 4.765 0.05 . 2 . . . A 4 GLY HA2 . 18825 1 2 . 1 1 1 1 GLY HA3 H 1 3.737 0.05 . 2 . . . A 4 GLY HA3 . 18825 1 3 . 1 1 1 1 GLY CA C 13 43.031 0.50 . 1 . . . A 4 GLY CA . 18825 1 4 . 1 1 2 2 ILE H H 1 8.390 0.05 . 1 . . . A 5 ILE H . 18825 1 5 . 1 1 2 2 ILE HA H 1 4.101 0.05 . 1 . . . A 5 ILE HA . 18825 1 6 . 1 1 2 2 ILE HB H 1 1.709 0.05 . 1 . . . A 5 ILE HB . 18825 1 7 . 1 1 2 2 ILE HG12 H 1 1.069 0.05 . 2 . . . A 5 ILE HG12 . 18825 1 8 . 1 1 2 2 ILE HG13 H 1 1.347 0.05 . 2 . . . A 5 ILE HG13 . 18825 1 9 . 1 1 2 2 ILE HG21 H 1 0.783 0.05 . 1 . . . A 5 ILE HG21 . 18825 1 10 . 1 1 2 2 ILE HG22 H 1 0.783 0.05 . 1 . . . A 5 ILE HG22 . 18825 1 11 . 1 1 2 2 ILE HG23 H 1 0.783 0.05 . 1 . . . A 5 ILE HG23 . 18825 1 12 . 1 1 2 2 ILE HD11 H 1 0.760 0.05 . 1 . . . A 5 ILE HD11 . 18825 1 13 . 1 1 2 2 ILE HD12 H 1 0.760 0.05 . 1 . . . A 5 ILE HD12 . 18825 1 14 . 1 1 2 2 ILE HD13 H 1 0.760 0.05 . 1 . . . A 5 ILE HD13 . 18825 1 15 . 1 1 2 2 ILE C C 13 175.692 0.50 . 1 . . . A 5 ILE C . 18825 1 16 . 1 1 2 2 ILE CA C 13 60.746 0.50 . 1 . . . A 5 ILE CA . 18825 1 17 . 1 1 2 2 ILE CB C 13 38.717 0.50 . 1 . . . A 5 ILE CB . 18825 1 18 . 1 1 2 2 ILE CG1 C 13 26.797 0.50 . 1 . . . A 5 ILE CG1 . 18825 1 19 . 1 1 2 2 ILE CG2 C 13 17.137 0.50 . 1 . . . A 5 ILE CG2 . 18825 1 20 . 1 1 2 2 ILE CD1 C 13 12.927 0.50 . 1 . . . A 5 ILE CD1 . 18825 1 21 . 1 1 2 2 ILE N N 15 119.601 0.10 . 1 . . . A 5 ILE N . 18825 1 22 . 1 1 3 3 ASP H H 1 8.415 0.05 . 1 . . . A 6 ASP H . 18825 1 23 . 1 1 3 3 ASP HA H 1 4.713 0.05 . 1 . . . A 6 ASP HA . 18825 1 24 . 1 1 3 3 ASP HB2 H 1 2.432 0.05 . 2 . . . A 6 ASP HB2 . 18825 1 25 . 1 1 3 3 ASP HB3 H 1 2.608 0.05 . 2 . . . A 6 ASP HB3 . 18825 1 26 . 1 1 3 3 ASP CA C 13 52.304 0.50 . 1 . . . A 6 ASP CA . 18825 1 27 . 1 1 3 3 ASP CB C 13 40.580 0.50 . 1 . . . A 6 ASP CB . 18825 1 28 . 1 1 3 3 ASP N N 15 126.481 0.10 . 1 . . . A 6 ASP N . 18825 1 29 . 1 1 4 4 PRO HA H 1 4.194 0.05 . 1 . . . A 7 PRO HA . 18825 1 30 . 1 1 4 4 PRO HB2 H 1 1.580 0.05 . 2 . . . A 7 PRO HB2 . 18825 1 31 . 1 1 4 4 PRO HB3 H 1 2.043 0.05 . 2 . . . A 7 PRO HB3 . 18825 1 32 . 1 1 4 4 PRO HG2 H 1 1.711 0.05 . 2 . . . A 7 PRO HG2 . 18825 1 33 . 1 1 4 4 PRO HG3 H 1 1.835 0.05 . 2 . . . A 7 PRO HG3 . 18825 1 34 . 1 1 4 4 PRO HD2 H 1 3.637 0.05 . 2 . . . A 7 PRO HD2 . 18825 1 35 . 1 1 4 4 PRO HD3 H 1 3.761 0.05 . 2 . . . A 7 PRO HD3 . 18825 1 36 . 1 1 4 4 PRO C C 13 176.460 0.50 . 1 . . . A 7 PRO C . 18825 1 37 . 1 1 4 4 PRO CA C 13 63.261 0.50 . 1 . . . A 7 PRO CA . 18825 1 38 . 1 1 4 4 PRO CB C 13 31.612 0.50 . 1 . . . A 7 PRO CB . 18825 1 39 . 1 1 4 4 PRO CG C 13 26.801 0.50 . 1 . . . A 7 PRO CG . 18825 1 40 . 1 1 4 4 PRO CD C 13 50.622 0.50 . 1 . . . A 7 PRO CD . 18825 1 41 . 1 1 5 5 PHE H H 1 8.019 0.05 . 1 . . . A 8 PHE H . 18825 1 42 . 1 1 5 5 PHE HA H 1 4.587 0.05 . 1 . . . A 8 PHE HA . 18825 1 43 . 1 1 5 5 PHE HB2 H 1 3.003 0.05 . 2 . . . A 8 PHE HB2 . 18825 1 44 . 1 1 5 5 PHE HB3 H 1 3.162 0.05 . 2 . . . A 8 PHE HB3 . 18825 1 45 . 1 1 5 5 PHE HD1 H 1 7.214 0.05 . 3 . . . A 8 PHE HD1 . 18825 1 46 . 1 1 5 5 PHE HD2 H 1 7.214 0.05 . 3 . . . A 8 PHE HD2 . 18825 1 47 . 1 1 5 5 PHE HE1 H 1 7.230 0.05 . 3 . . . A 8 PHE HE1 . 18825 1 48 . 1 1 5 5 PHE HE2 H 1 7.230 0.05 . 3 . . . A 8 PHE HE2 . 18825 1 49 . 1 1 5 5 PHE HZ H 1 7.198 0.05 . 1 . . . A 8 PHE HZ . 18825 1 50 . 1 1 5 5 PHE C C 13 175.623 0.50 . 1 . . . A 8 PHE C . 18825 1 51 . 1 1 5 5 PHE CA C 13 57.296 0.50 . 1 . . . A 8 PHE CA . 18825 1 52 . 1 1 5 5 PHE CB C 13 38.487 0.50 . 1 . . . A 8 PHE CB . 18825 1 53 . 1 1 5 5 PHE CD1 C 13 131.863 0.50 . 3 . . . A 8 PHE CD1 . 18825 1 54 . 1 1 5 5 PHE CD2 C 13 132.070 0.50 . 3 . . . A 8 PHE CD2 . 18825 1 55 . 1 1 5 5 PHE CE1 C 13 131.388 0.50 . 3 . . . A 8 PHE CE1 . 18825 1 56 . 1 1 5 5 PHE CE2 C 13 131.390 0.50 . 3 . . . A 8 PHE CE2 . 18825 1 57 . 1 1 5 5 PHE CZ C 13 129.419 0.50 . 1 . . . A 8 PHE CZ . 18825 1 58 . 1 1 5 5 PHE N N 15 117.739 0.10 . 1 . . . A 8 PHE N . 18825 1 59 . 1 1 6 6 THR H H 1 7.963 0.05 . 1 . . . A 9 THR H . 18825 1 60 . 1 1 6 6 THR HA H 1 4.394 0.05 . 1 . . . A 9 THR HA . 18825 1 61 . 1 1 6 6 THR HB H 1 4.236 0.05 . 1 . . . A 9 THR HB . 18825 1 62 . 1 1 6 6 THR HG21 H 1 1.119 0.05 . 1 . . . A 9 THR HG21 . 18825 1 63 . 1 1 6 6 THR HG22 H 1 1.119 0.05 . 1 . . . A 9 THR HG22 . 18825 1 64 . 1 1 6 6 THR HG23 H 1 1.119 0.05 . 1 . . . A 9 THR HG23 . 18825 1 65 . 1 1 6 6 THR C C 13 173.216 0.50 . 1 . . . A 9 THR C . 18825 1 66 . 1 1 6 6 THR CA C 13 60.973 0.50 . 1 . . . A 9 THR CA . 18825 1 67 . 1 1 6 6 THR CB C 13 69.430 0.50 . 1 . . . A 9 THR CB . 18825 1 68 . 1 1 6 6 THR CG2 C 13 21.751 0.50 . 1 . . . A 9 THR CG2 . 18825 1 69 . 1 1 6 6 THR N N 15 112.187 0.10 . 1 . . . A 9 THR N . 18825 1 70 . 1 1 7 7 MET H H 1 7.656 0.05 . 1 . . . A 10 MET H . 18825 1 71 . 1 1 7 7 MET HA H 1 4.353 0.05 . 1 . . . A 10 MET HA . 18825 1 72 . 1 1 7 7 MET CA C 13 52.458 0.50 . 1 . . . A 10 MET CA . 18825 1 73 . 1 1 7 7 MET N N 15 121.050 0.10 . 1 . . . A 10 MET N . 18825 1 74 . 1 1 8 8 LEU HA H 1 4.733 0.05 . 1 . . . A 11 LEU HA . 18825 1 75 . 1 1 8 8 LEU HB2 H 1 1.483 0.05 . 2 . . . A 11 LEU HB2 . 18825 1 76 . 1 1 8 8 LEU HB3 H 1 1.573 0.05 . 2 . . . A 11 LEU HB3 . 18825 1 77 . 1 1 8 8 LEU HG H 1 1.579 0.05 . 1 . . . A 11 LEU HG . 18825 1 78 . 1 1 8 8 LEU HD11 H 1 0.844 0.05 . 2 . . . A 11 LEU HD11 . 18825 1 79 . 1 1 8 8 LEU HD12 H 1 0.844 0.05 . 2 . . . A 11 LEU HD12 . 18825 1 80 . 1 1 8 8 LEU HD13 H 1 0.844 0.05 . 2 . . . A 11 LEU HD13 . 18825 1 81 . 1 1 8 8 LEU HD21 H 1 0.856 0.05 . 2 . . . A 11 LEU HD21 . 18825 1 82 . 1 1 8 8 LEU HD22 H 1 0.856 0.05 . 2 . . . A 11 LEU HD22 . 18825 1 83 . 1 1 8 8 LEU HD23 H 1 0.856 0.05 . 2 . . . A 11 LEU HD23 . 18825 1 84 . 1 1 8 8 LEU CA C 13 52.556 0.50 . 1 . . . A 11 LEU CA . 18825 1 85 . 1 1 8 8 LEU CB C 13 44.033 0.50 . 1 . . . A 11 LEU CB . 18825 1 86 . 1 1 8 8 LEU CG C 13 26.723 0.50 . 1 . . . A 11 LEU CG . 18825 1 87 . 1 1 8 8 LEU CD1 C 13 23.229 0.50 . 2 . . . A 11 LEU CD1 . 18825 1 88 . 1 1 8 8 LEU CD2 C 13 25.566 0.50 . 2 . . . A 11 LEU CD2 . 18825 1 89 . 1 1 9 9 PRO HA H 1 4.651 0.05 . 1 . . . A 12 PRO HA . 18825 1 90 . 1 1 9 9 PRO HB2 H 1 1.618 0.05 . 2 . . . A 12 PRO HB2 . 18825 1 91 . 1 1 9 9 PRO HB3 H 1 1.853 0.05 . 2 . . . A 12 PRO HB3 . 18825 1 92 . 1 1 9 9 PRO HG2 H 1 1.588 0.05 . 2 . . . A 12 PRO HG2 . 18825 1 93 . 1 1 9 9 PRO HG3 H 1 1.767 0.05 . 2 . . . A 12 PRO HG3 . 18825 1 94 . 1 1 9 9 PRO HD2 H 1 3.437 0.05 . 2 . . . A 12 PRO HD2 . 18825 1 95 . 1 1 9 9 PRO HD3 H 1 3.523 0.05 . 2 . . . A 12 PRO HD3 . 18825 1 96 . 1 1 9 9 PRO C C 13 173.267 0.50 . 1 . . . A 12 PRO C . 18825 1 97 . 1 1 9 9 PRO CA C 13 62.345 0.50 . 1 . . . A 12 PRO CA . 18825 1 98 . 1 1 9 9 PRO CB C 13 31.887 0.50 . 1 . . . A 12 PRO CB . 18825 1 99 . 1 1 9 9 PRO CG C 13 27.241 0.50 . 1 . . . A 12 PRO CG . 18825 1 100 . 1 1 9 9 PRO CD C 13 49.714 0.50 . 1 . . . A 12 PRO CD . 18825 1 101 . 1 1 10 10 ARG H H 1 8.537 0.05 . 1 . . . A 13 ARG H . 18825 1 102 . 1 1 10 10 ARG HA H 1 4.459 0.05 . 1 . . . A 13 ARG HA . 18825 1 103 . 1 1 10 10 ARG HB2 H 1 1.605 0.05 . 2 . . . A 13 ARG HB2 . 18825 1 104 . 1 1 10 10 ARG HG2 H 1 1.343 0.05 . 2 . . . A 13 ARG HG2 . 18825 1 105 . 1 1 10 10 ARG C C 13 173.541 0.50 . 1 . . . A 13 ARG C . 18825 1 106 . 1 1 10 10 ARG CA C 13 54.258 0.50 . 1 . . . A 13 ARG CA . 18825 1 107 . 1 1 10 10 ARG CB C 13 32.391 0.50 . 1 . . . A 13 ARG CB . 18825 1 108 . 1 1 10 10 ARG N N 15 117.934 0.10 . 1 . . . A 13 ARG N . 18825 1 109 . 1 1 11 11 LEU H H 1 8.613 0.05 . 1 . . . A 14 LEU H . 18825 1 110 . 1 1 11 11 LEU HA H 1 4.821 0.05 . 1 . . . A 14 LEU HA . 18825 1 111 . 1 1 11 11 LEU HB2 H 1 1.774 0.05 . 2 . . . A 14 LEU HB2 . 18825 1 112 . 1 1 11 11 LEU HB3 H 1 0.986 0.05 . 2 . . . A 14 LEU HB3 . 18825 1 113 . 1 1 11 11 LEU HG H 1 1.184 0.05 . 1 . . . A 14 LEU HG . 18825 1 114 . 1 1 11 11 LEU HD11 H 1 0.591 0.05 . 2 . . . A 14 LEU HD11 . 18825 1 115 . 1 1 11 11 LEU HD12 H 1 0.591 0.05 . 2 . . . A 14 LEU HD12 . 18825 1 116 . 1 1 11 11 LEU HD13 H 1 0.591 0.05 . 2 . . . A 14 LEU HD13 . 18825 1 117 . 1 1 11 11 LEU HD21 H 1 0.658 0.05 . 2 . . . A 14 LEU HD21 . 18825 1 118 . 1 1 11 11 LEU HD22 H 1 0.658 0.05 . 2 . . . A 14 LEU HD22 . 18825 1 119 . 1 1 11 11 LEU HD23 H 1 0.658 0.05 . 2 . . . A 14 LEU HD23 . 18825 1 120 . 1 1 11 11 LEU C C 13 176.077 0.50 . 1 . . . A 14 LEU C . 18825 1 121 . 1 1 11 11 LEU CA C 13 53.090 0.50 . 1 . . . A 14 LEU CA . 18825 1 122 . 1 1 11 11 LEU CB C 13 42.526 0.50 . 1 . . . A 14 LEU CB . 18825 1 123 . 1 1 11 11 LEU CG C 13 27.045 0.50 . 1 . . . A 14 LEU CG . 18825 1 124 . 1 1 11 11 LEU CD1 C 13 23.217 0.50 . 2 . . . A 14 LEU CD1 . 18825 1 125 . 1 1 11 11 LEU CD2 C 13 25.294 0.50 . 2 . . . A 14 LEU CD2 . 18825 1 126 . 1 1 11 11 LEU N N 15 124.983 0.10 . 1 . . . A 14 LEU N . 18825 1 127 . 1 1 12 12 CYS H H 1 9.221 0.05 . 1 . . . A 15 CYS H . 18825 1 128 . 1 1 12 12 CYS HA H 1 4.615 0.05 . 1 . . . A 15 CYS HA . 18825 1 129 . 1 1 12 12 CYS HB2 H 1 2.352 0.05 . 2 . . . A 15 CYS HB2 . 18825 1 130 . 1 1 12 12 CYS HB3 H 1 2.352 0.05 . 2 . . . A 15 CYS HB3 . 18825 1 131 . 1 1 12 12 CYS C C 13 173.593 0.50 . 1 . . . A 15 CYS C . 18825 1 132 . 1 1 12 12 CYS CA C 13 57.788 0.50 . 1 . . . A 15 CYS CA . 18825 1 133 . 1 1 12 12 CYS CB C 13 29.344 0.50 . 1 . . . A 15 CYS CB . 18825 1 134 . 1 1 12 12 CYS N N 15 127.290 0.10 . 1 . . . A 15 CYS N . 18825 1 135 . 1 1 13 13 CYS H H 1 9.244 0.05 . 1 . . . A 16 CYS H . 18825 1 136 . 1 1 13 13 CYS HA H 1 4.658 0.05 . 1 . . . A 16 CYS HA . 18825 1 137 . 1 1 13 13 CYS HB2 H 1 2.828 0.05 . 2 . . . A 16 CYS HB2 . 18825 1 138 . 1 1 13 13 CYS HB3 H 1 2.828 0.05 . 2 . . . A 16 CYS HB3 . 18825 1 139 . 1 1 13 13 CYS C C 13 172.669 0.50 . 1 . . . A 16 CYS C . 18825 1 140 . 1 1 13 13 CYS CA C 13 58.083 0.50 . 1 . . . A 16 CYS CA . 18825 1 141 . 1 1 13 13 CYS CB C 13 26.793 0.50 . 1 . . . A 16 CYS CB . 18825 1 142 . 1 1 13 13 CYS N N 15 125.599 0.10 . 1 . . . A 16 CYS N . 18825 1 143 . 1 1 14 14 LEU H H 1 8.764 0.05 . 1 . . . A 17 LEU H . 18825 1 144 . 1 1 14 14 LEU HA H 1 4.617 0.05 . 1 . . . A 17 LEU HA . 18825 1 145 . 1 1 14 14 LEU HB2 H 1 1.503 0.05 . 2 . . . A 17 LEU HB2 . 18825 1 146 . 1 1 14 14 LEU HB3 H 1 1.571 0.05 . 2 . . . A 17 LEU HB3 . 18825 1 147 . 1 1 14 14 LEU HG H 1 1.506 0.05 . 1 . . . A 17 LEU HG . 18825 1 148 . 1 1 14 14 LEU HD11 H 1 0.487 0.05 . 2 . . . A 17 LEU HD11 . 18825 1 149 . 1 1 14 14 LEU HD12 H 1 0.487 0.05 . 2 . . . A 17 LEU HD12 . 18825 1 150 . 1 1 14 14 LEU HD13 H 1 0.487 0.05 . 2 . . . A 17 LEU HD13 . 18825 1 151 . 1 1 14 14 LEU HD21 H 1 0.553 0.05 . 2 . . . A 17 LEU HD21 . 18825 1 152 . 1 1 14 14 LEU HD22 H 1 0.553 0.05 . 2 . . . A 17 LEU HD22 . 18825 1 153 . 1 1 14 14 LEU HD23 H 1 0.553 0.05 . 2 . . . A 17 LEU HD23 . 18825 1 154 . 1 1 14 14 LEU C C 13 176.005 0.50 . 1 . . . A 17 LEU C . 18825 1 155 . 1 1 14 14 LEU CA C 13 55.286 0.50 . 1 . . . A 17 LEU CA . 18825 1 156 . 1 1 14 14 LEU CB C 13 44.001 0.50 . 1 . . . A 17 LEU CB . 18825 1 157 . 1 1 14 14 LEU CG C 13 30.248 0.50 . 1 . . . A 17 LEU CG . 18825 1 158 . 1 1 14 14 LEU CD1 C 13 25.297 0.50 . 2 . . . A 17 LEU CD1 . 18825 1 159 . 1 1 14 14 LEU CD2 C 13 27.806 0.50 . 2 . . . A 17 LEU CD2 . 18825 1 160 . 1 1 14 14 LEU N N 15 125.275 0.10 . 1 . . . A 17 LEU N . 18825 1 161 . 1 1 15 15 GLU H H 1 8.258 0.05 . 1 . . . A 18 GLU H . 18825 1 162 . 1 1 15 15 GLU HA H 1 4.803 0.05 . 1 . . . A 18 GLU HA . 18825 1 163 . 1 1 15 15 GLU HB2 H 1 1.866 0.05 . 2 . . . A 18 GLU HB2 . 18825 1 164 . 1 1 15 15 GLU HB3 H 1 1.994 0.05 . 2 . . . A 18 GLU HB3 . 18825 1 165 . 1 1 15 15 GLU HG2 H 1 2.215 0.05 . 2 . . . A 18 GLU HG2 . 18825 1 166 . 1 1 15 15 GLU HG3 H 1 2.215 0.05 . 2 . . . A 18 GLU HG3 . 18825 1 167 . 1 1 15 15 GLU C C 13 175.370 0.50 . 1 . . . A 18 GLU C . 18825 1 168 . 1 1 15 15 GLU CA C 13 54.904 0.50 . 1 . . . A 18 GLU CA . 18825 1 169 . 1 1 15 15 GLU CB C 13 31.355 0.50 . 1 . . . A 18 GLU CB . 18825 1 170 . 1 1 15 15 GLU CG C 13 36.470 0.50 . 1 . . . A 18 GLU CG . 18825 1 171 . 1 1 15 15 GLU N N 15 121.631 0.10 . 1 . . . A 18 GLU N . 18825 1 172 . 1 1 16 16 LYS H H 1 8.251 0.05 . 1 . . . A 19 LYS H . 18825 1 173 . 1 1 16 16 LYS HA H 1 3.084 0.05 . 1 . . . A 19 LYS HA . 18825 1 174 . 1 1 16 16 LYS HB2 H 1 1.209 0.05 . 2 . . . A 19 LYS HB2 . 18825 1 175 . 1 1 16 16 LYS HB3 H 1 1.453 0.05 . 2 . . . A 19 LYS HB3 . 18825 1 176 . 1 1 16 16 LYS HG2 H 1 0.040 0.05 . 2 . . . A 19 LYS HG2 . 18825 1 177 . 1 1 16 16 LYS HG3 H 1 1.267 0.05 . 2 . . . A 19 LYS HG3 . 18825 1 178 . 1 1 16 16 LYS HD2 H 1 1.392 0.05 . 2 . . . A 19 LYS HD2 . 18825 1 179 . 1 1 16 16 LYS HD3 H 1 1.394 0.05 . 2 . . . A 19 LYS HD3 . 18825 1 180 . 1 1 16 16 LYS HE2 H 1 2.693 0.05 . 2 . . . A 19 LYS HE2 . 18825 1 181 . 1 1 16 16 LYS HE3 H 1 2.755 0.05 . 2 . . . A 19 LYS HE3 . 18825 1 182 . 1 1 16 16 LYS C C 13 176.678 0.50 . 1 . . . A 19 LYS C . 18825 1 183 . 1 1 16 16 LYS CA C 13 58.801 0.50 . 1 . . . A 19 LYS CA . 18825 1 184 . 1 1 16 16 LYS CB C 13 32.349 0.50 . 1 . . . A 19 LYS CB . 18825 1 185 . 1 1 16 16 LYS CG C 13 24.732 0.50 . 1 . . . A 19 LYS CG . 18825 1 186 . 1 1 16 16 LYS CD C 13 28.812 0.50 . 1 . . . A 19 LYS CD . 18825 1 187 . 1 1 16 16 LYS CE C 13 41.522 0.50 . 1 . . . A 19 LYS CE . 18825 1 188 . 1 1 16 16 LYS N N 15 125.465 0.10 . 1 . . . A 19 LYS N . 18825 1 189 . 1 1 17 17 GLY H H 1 7.052 0.05 . 1 . . . A 20 GLY H . 18825 1 190 . 1 1 17 17 GLY HA2 H 1 3.869 0.05 . 2 . . . A 20 GLY HA2 . 18825 1 191 . 1 1 17 17 GLY HA3 H 1 4.638 0.05 . 2 . . . A 20 GLY HA3 . 18825 1 192 . 1 1 17 17 GLY CA C 13 44.092 0.50 . 1 . . . A 20 GLY CA . 18825 1 193 . 1 1 17 17 GLY N N 15 113.155 0.10 . 1 . . . A 20 GLY N . 18825 1 194 . 1 1 18 18 PRO HA H 1 4.239 0.05 . 1 . . . A 21 PRO HA . 18825 1 195 . 1 1 18 18 PRO HB2 H 1 1.811 0.05 . 2 . . . A 21 PRO HB2 . 18825 1 196 . 1 1 18 18 PRO HB3 H 1 2.277 0.05 . 2 . . . A 21 PRO HB3 . 18825 1 197 . 1 1 18 18 PRO HG2 H 1 1.957 0.05 . 2 . . . A 21 PRO HG2 . 18825 1 198 . 1 1 18 18 PRO HG3 H 1 1.957 0.05 . 2 . . . A 21 PRO HG3 . 18825 1 199 . 1 1 18 18 PRO HD2 H 1 3.567 0.05 . 2 . . . A 21 PRO HD2 . 18825 1 200 . 1 1 18 18 PRO HD3 H 1 3.668 0.05 . 2 . . . A 21 PRO HD3 . 18825 1 201 . 1 1 18 18 PRO C C 13 177.124 0.50 . 1 . . . A 21 PRO C . 18825 1 202 . 1 1 18 18 PRO CA C 13 64.310 0.50 . 1 . . . A 21 PRO CA . 18825 1 203 . 1 1 18 18 PRO CB C 13 31.468 0.50 . 1 . . . A 21 PRO CB . 18825 1 204 . 1 1 18 18 PRO CG C 13 26.799 0.50 . 1 . . . A 21 PRO CG . 18825 1 205 . 1 1 18 18 PRO CD C 13 49.210 0.50 . 1 . . . A 21 PRO CD . 18825 1 206 . 1 1 19 19 ASN H H 1 8.482 0.05 . 1 . . . A 22 ASN H . 18825 1 207 . 1 1 19 19 ASN HA H 1 4.989 0.05 . 1 . . . A 22 ASN HA . 18825 1 208 . 1 1 19 19 ASN HB2 H 1 2.440 0.05 . 2 . . . A 22 ASN HB2 . 18825 1 209 . 1 1 19 19 ASN HB3 H 1 2.835 0.05 . 2 . . . A 22 ASN HB3 . 18825 1 210 . 1 1 19 19 ASN HD21 H 1 6.876 0.05 . 2 . . . A 22 ASN HD21 . 18825 1 211 . 1 1 19 19 ASN HD22 H 1 7.578 0.05 . 2 . . . A 22 ASN HD22 . 18825 1 212 . 1 1 19 19 ASN C C 13 174.953 0.50 . 1 . . . A 22 ASN C . 18825 1 213 . 1 1 19 19 ASN CA C 13 51.127 0.50 . 1 . . . A 22 ASN CA . 18825 1 214 . 1 1 19 19 ASN CB C 13 38.526 0.50 . 1 . . . A 22 ASN CB . 18825 1 215 . 1 1 19 19 ASN N N 15 115.282 0.10 . 1 . . . A 22 ASN N . 18825 1 216 . 1 1 19 19 ASN ND2 N 15 113.176 0.10 . 1 . . . A 22 ASN ND2 . 18825 1 217 . 1 1 20 20 GLY H H 1 7.516 0.05 . 1 . . . A 23 GLY H . 18825 1 218 . 1 1 20 20 GLY HA2 H 1 3.047 0.05 . 2 . . . A 23 GLY HA2 . 18825 1 219 . 1 1 20 20 GLY HA3 H 1 4.253 0.05 . 2 . . . A 23 GLY HA3 . 18825 1 220 . 1 1 20 20 GLY C C 13 174.591 0.50 . 1 . . . A 23 GLY C . 18825 1 221 . 1 1 20 20 GLY CA C 13 44.540 0.50 . 1 . . . A 23 GLY CA . 18825 1 222 . 1 1 20 20 GLY N N 15 107.435 0.10 . 1 . . . A 23 GLY N . 18825 1 223 . 1 1 21 21 TYR H H 1 11.731 0.05 . 1 . . . A 24 TYR H . 18825 1 224 . 1 1 21 21 TYR HA H 1 4.442 0.05 . 1 . . . A 24 TYR HA . 18825 1 225 . 1 1 21 21 TYR HB2 H 1 2.669 0.05 . 2 . . . A 24 TYR HB2 . 18825 1 226 . 1 1 21 21 TYR HB3 H 1 2.920 0.05 . 2 . . . A 24 TYR HB3 . 18825 1 227 . 1 1 21 21 TYR HD1 H 1 6.840 0.05 . 3 . . . A 24 TYR HD1 . 18825 1 228 . 1 1 21 21 TYR HD2 H 1 6.840 0.05 . 3 . . . A 24 TYR HD2 . 18825 1 229 . 1 1 21 21 TYR HE1 H 1 6.457 0.05 . 3 . . . A 24 TYR HE1 . 18825 1 230 . 1 1 21 21 TYR HE2 H 1 6.457 0.05 . 3 . . . A 24 TYR HE2 . 18825 1 231 . 1 1 21 21 TYR C C 13 176.712 0.50 . 1 . . . A 24 TYR C . 18825 1 232 . 1 1 21 21 TYR CA C 13 60.976 0.50 . 1 . . . A 24 TYR CA . 18825 1 233 . 1 1 21 21 TYR CB C 13 39.912 0.50 . 1 . . . A 24 TYR CB . 18825 1 234 . 1 1 21 21 TYR CD1 C 13 132.600 0.50 . 3 . . . A 24 TYR CD1 . 18825 1 235 . 1 1 21 21 TYR CD2 C 13 132.600 0.50 . 3 . . . A 24 TYR CD2 . 18825 1 236 . 1 1 21 21 TYR CE1 C 13 117.762 0.50 . 3 . . . A 24 TYR CE1 . 18825 1 237 . 1 1 21 21 TYR CE2 C 13 117.761 0.50 . 3 . . . A 24 TYR CE2 . 18825 1 238 . 1 1 21 21 TYR N N 15 127.462 0.10 . 1 . . . A 24 TYR N . 18825 1 239 . 1 1 22 22 GLY H H 1 10.256 0.05 . 1 . . . A 25 GLY H . 18825 1 240 . 1 1 22 22 GLY HA2 H 1 3.551 0.05 . 2 . . . A 25 GLY HA2 . 18825 1 241 . 1 1 22 22 GLY HA3 H 1 4.366 0.05 . 2 . . . A 25 GLY HA3 . 18825 1 242 . 1 1 22 22 GLY C C 13 173.539 0.50 . 1 . . . A 25 GLY C . 18825 1 243 . 1 1 22 22 GLY CA C 13 46.093 0.50 . 1 . . . A 25 GLY CA . 18825 1 244 . 1 1 22 22 GLY N N 15 109.114 0.10 . 1 . . . A 25 GLY N . 18825 1 245 . 1 1 23 23 PHE H H 1 7.910 0.05 . 1 . . . A 26 PHE H . 18825 1 246 . 1 1 23 23 PHE HA H 1 5.691 0.05 . 1 . . . A 26 PHE HA . 18825 1 247 . 1 1 23 23 PHE HB2 H 1 2.595 0.05 . 2 . . . A 26 PHE HB2 . 18825 1 248 . 1 1 23 23 PHE HB3 H 1 3.048 0.05 . 2 . . . A 26 PHE HB3 . 18825 1 249 . 1 1 23 23 PHE HD1 H 1 6.770 0.05 . 3 . . . A 26 PHE HD1 . 18825 1 250 . 1 1 23 23 PHE HD2 H 1 6.653 0.05 . 3 . . . A 26 PHE HD2 . 18825 1 251 . 1 1 23 23 PHE HE1 H 1 6.623 0.05 . 3 . . . A 26 PHE HE1 . 18825 1 252 . 1 1 23 23 PHE HE2 H 1 6.623 0.05 . 3 . . . A 26 PHE HE2 . 18825 1 253 . 1 1 23 23 PHE HZ H 1 6.745 0.05 . 1 . . . A 26 PHE HZ . 18825 1 254 . 1 1 23 23 PHE C C 13 171.291 0.50 . 1 . . . A 26 PHE C . 18825 1 255 . 1 1 23 23 PHE CA C 13 54.734 0.50 . 1 . . . A 26 PHE CA . 18825 1 256 . 1 1 23 23 PHE CB C 13 41.542 0.50 . 1 . . . A 26 PHE CB . 18825 1 257 . 1 1 23 23 PHE CD1 C 13 132.210 0.50 . 3 . . . A 26 PHE CD1 . 18825 1 258 . 1 1 23 23 PHE CD2 C 13 129.839 0.50 . 3 . . . A 26 PHE CD2 . 18825 1 259 . 1 1 23 23 PHE CE2 C 13 129.966 0.50 . 3 . . . A 26 PHE CE2 . 18825 1 260 . 1 1 23 23 PHE CZ C 13 128.617 0.50 . 1 . . . A 26 PHE CZ . 18825 1 261 . 1 1 23 23 PHE N N 15 113.233 0.10 . 1 . . . A 26 PHE N . 18825 1 262 . 1 1 24 24 HIS H H 1 8.706 0.05 . 1 . . . A 27 HIS H . 18825 1 263 . 1 1 24 24 HIS HA H 1 5.985 0.05 . 1 . . . A 27 HIS HA . 18825 1 264 . 1 1 24 24 HIS HB2 H 1 3.114 0.05 . 2 . . . A 27 HIS HB2 . 18825 1 265 . 1 1 24 24 HIS HB3 H 1 2.840 0.05 . 2 . . . A 27 HIS HB3 . 18825 1 266 . 1 1 24 24 HIS HD2 H 1 6.993 0.05 . 1 . . . A 27 HIS HD2 . 18825 1 267 . 1 1 24 24 HIS HE1 H 1 7.705 0.05 . 1 . . . A 27 HIS HE1 . 18825 1 268 . 1 1 24 24 HIS C C 13 174.083 0.50 . 1 . . . A 27 HIS C . 18825 1 269 . 1 1 24 24 HIS CA C 13 54.753 0.50 . 1 . . . A 27 HIS CA . 18825 1 270 . 1 1 24 24 HIS CB C 13 31.881 0.50 . 1 . . . A 27 HIS CB . 18825 1 271 . 1 1 24 24 HIS CD2 C 13 120.713 0.50 . 1 . . . A 27 HIS CD2 . 18825 1 272 . 1 1 24 24 HIS CE1 C 13 137.562 0.50 . 1 . . . A 27 HIS CE1 . 18825 1 273 . 1 1 24 24 HIS N N 15 119.266 0.10 . 1 . . . A 27 HIS N . 18825 1 274 . 1 1 25 25 LEU H H 1 9.327 0.05 . 1 . . . A 28 LEU H . 18825 1 275 . 1 1 25 25 LEU HA H 1 5.206 0.05 . 1 . . . A 28 LEU HA . 18825 1 276 . 1 1 25 25 LEU HB2 H 1 1.245 0.05 . 2 . . . A 28 LEU HB2 . 18825 1 277 . 1 1 25 25 LEU HB3 H 1 1.874 0.05 . 2 . . . A 28 LEU HB3 . 18825 1 278 . 1 1 25 25 LEU HG H 1 1.742 0.05 . 1 . . . A 28 LEU HG . 18825 1 279 . 1 1 25 25 LEU HD11 H 1 0.799 0.05 . 2 . . . A 28 LEU HD11 . 18825 1 280 . 1 1 25 25 LEU HD12 H 1 0.799 0.05 . 2 . . . A 28 LEU HD12 . 18825 1 281 . 1 1 25 25 LEU HD13 H 1 0.799 0.05 . 2 . . . A 28 LEU HD13 . 18825 1 282 . 1 1 25 25 LEU HD21 H 1 0.472 0.05 . 2 . . . A 28 LEU HD21 . 18825 1 283 . 1 1 25 25 LEU HD22 H 1 0.472 0.05 . 2 . . . A 28 LEU HD22 . 18825 1 284 . 1 1 25 25 LEU HD23 H 1 0.472 0.05 . 2 . . . A 28 LEU HD23 . 18825 1 285 . 1 1 25 25 LEU C C 13 175.334 0.50 . 1 . . . A 28 LEU C . 18825 1 286 . 1 1 25 25 LEU CA C 13 53.171 0.50 . 1 . . . A 28 LEU CA . 18825 1 287 . 1 1 25 25 LEU CB C 13 46.017 0.50 . 1 . . . A 28 LEU CB . 18825 1 288 . 1 1 25 25 LEU CG C 13 26.299 0.50 . 1 . . . A 28 LEU CG . 18825 1 289 . 1 1 25 25 LEU CD1 C 13 24.846 0.50 . 2 . . . A 28 LEU CD1 . 18825 1 290 . 1 1 25 25 LEU CD2 C 13 25.756 0.50 . 2 . . . A 28 LEU CD2 . 18825 1 291 . 1 1 25 25 LEU N N 15 128.190 0.10 . 1 . . . A 28 LEU N . 18825 1 292 . 1 1 26 26 HIS H H 1 10.290 0.05 . 1 . . . A 29 HIS H . 18825 1 293 . 1 1 26 26 HIS HA H 1 5.853 0.05 . 1 . . . A 29 HIS HA . 18825 1 294 . 1 1 26 26 HIS HB2 H 1 3.106 0.05 . 2 . . . A 29 HIS HB2 . 18825 1 295 . 1 1 26 26 HIS HB3 H 1 3.183 0.05 . 2 . . . A 29 HIS HB3 . 18825 1 296 . 1 1 26 26 HIS HD2 H 1 7.067 0.05 . 1 . . . A 29 HIS HD2 . 18825 1 297 . 1 1 26 26 HIS HE1 H 1 8.149 0.05 . 1 . . . A 29 HIS HE1 . 18825 1 298 . 1 1 26 26 HIS C C 13 172.923 0.50 . 1 . . . A 29 HIS C . 18825 1 299 . 1 1 26 26 HIS CA C 13 54.771 0.50 . 1 . . . A 29 HIS CA . 18825 1 300 . 1 1 26 26 HIS CB C 13 33.458 0.50 . 1 . . . A 29 HIS CB . 18825 1 301 . 1 1 26 26 HIS CE1 C 13 136.954 0.50 . 1 . . . A 29 HIS CE1 . 18825 1 302 . 1 1 26 26 HIS N N 15 127.677 0.10 . 1 . . . A 29 HIS N . 18825 1 303 . 1 1 27 27 GLY H H 1 8.139 0.05 . 1 . . . A 30 GLY H . 18825 1 304 . 1 1 27 27 GLY HA2 H 1 4.555 0.05 . 2 . . . A 30 GLY HA2 . 18825 1 305 . 1 1 27 27 GLY HA3 H 1 3.893 0.05 . 2 . . . A 30 GLY HA3 . 18825 1 306 . 1 1 27 27 GLY C C 13 171.943 0.50 . 1 . . . A 30 GLY C . 18825 1 307 . 1 1 27 27 GLY CA C 13 44.571 0.50 . 1 . . . A 30 GLY CA . 18825 1 308 . 1 1 27 27 GLY N N 15 113.160 0.10 . 1 . . . A 30 GLY N . 18825 1 309 . 1 1 28 28 GLU H H 1 9.123 0.05 . 1 . . . A 31 GLU H . 18825 1 310 . 1 1 28 28 GLU HA H 1 4.439 0.05 . 1 . . . A 31 GLU HA . 18825 1 311 . 1 1 28 28 GLU HB2 H 1 1.879 0.05 . 2 . . . A 31 GLU HB2 . 18825 1 312 . 1 1 28 28 GLU HB3 H 1 1.678 0.05 . 2 . . . A 31 GLU HB3 . 18825 1 313 . 1 1 28 28 GLU HG2 H 1 2.105 0.05 . 2 . . . A 31 GLU HG2 . 18825 1 314 . 1 1 28 28 GLU HG3 H 1 2.104 0.05 . 2 . . . A 31 GLU HG3 . 18825 1 315 . 1 1 28 28 GLU C C 13 175.805 0.50 . 1 . . . A 31 GLU C . 18825 1 316 . 1 1 28 28 GLU CA C 13 54.473 0.50 . 1 . . . A 31 GLU CA . 18825 1 317 . 1 1 28 28 GLU CB C 13 32.363 0.50 . 1 . . . A 31 GLU CB . 18825 1 318 . 1 1 28 28 GLU CG C 13 35.509 0.50 . 1 . . . A 31 GLU CG . 18825 1 319 . 1 1 28 28 GLU N N 15 120.770 0.10 . 1 . . . A 31 GLU N . 18825 1 320 . 1 1 29 29 LYS H H 1 8.534 0.05 . 1 . . . A 32 LYS H . 18825 1 321 . 1 1 29 29 LYS HA H 1 4.025 0.05 . 1 . . . A 32 LYS HA . 18825 1 322 . 1 1 29 29 LYS HB2 H 1 1.698 0.05 . 2 . . . A 32 LYS HB2 . 18825 1 323 . 1 1 29 29 LYS HB3 H 1 1.698 0.05 . 2 . . . A 32 LYS HB3 . 18825 1 324 . 1 1 29 29 LYS HG2 H 1 1.419 0.05 . 2 . . . A 32 LYS HG2 . 18825 1 325 . 1 1 29 29 LYS HG3 H 1 1.320 0.05 . 2 . . . A 32 LYS HG3 . 18825 1 326 . 1 1 29 29 LYS HD2 H 1 1.610 0.05 . 2 . . . A 32 LYS HD2 . 18825 1 327 . 1 1 29 29 LYS HD3 H 1 1.610 0.05 . 2 . . . A 32 LYS HD3 . 18825 1 328 . 1 1 29 29 LYS HE2 H 1 2.894 0.05 . 2 . . . A 32 LYS HE2 . 18825 1 329 . 1 1 29 29 LYS HE3 H 1 2.894 0.05 . 2 . . . A 32 LYS HE3 . 18825 1 330 . 1 1 29 29 LYS C C 13 177.819 0.50 . 1 . . . A 32 LYS C . 18825 1 331 . 1 1 29 29 LYS CA C 13 58.269 0.50 . 1 . . . A 32 LYS CA . 18825 1 332 . 1 1 29 29 LYS CB C 13 31.874 0.50 . 1 . . . A 32 LYS CB . 18825 1 333 . 1 1 29 29 LYS CG C 13 24.328 0.50 . 1 . . . A 32 LYS CG . 18825 1 334 . 1 1 29 29 LYS CD C 13 28.859 0.50 . 1 . . . A 32 LYS CD . 18825 1 335 . 1 1 29 29 LYS CE C 13 41.977 0.50 . 1 . . . A 32 LYS CE . 18825 1 336 . 1 1 29 29 LYS N N 15 124.597 0.10 . 1 . . . A 32 LYS N . 18825 1 337 . 1 1 30 30 GLY H H 1 8.855 0.05 . 1 . . . A 33 GLY H . 18825 1 338 . 1 1 30 30 GLY HA2 H 1 3.690 0.05 . 2 . . . A 33 GLY HA2 . 18825 1 339 . 1 1 30 30 GLY HA3 H 1 4.058 0.05 . 2 . . . A 33 GLY HA3 . 18825 1 340 . 1 1 30 30 GLY C C 13 173.451 0.50 . 1 . . . A 33 GLY C . 18825 1 341 . 1 1 30 30 GLY CA C 13 45.072 0.50 . 1 . . . A 33 GLY CA . 18825 1 342 . 1 1 30 30 GLY N N 15 112.481 0.10 . 1 . . . A 33 GLY N . 18825 1 343 . 1 1 31 31 LYS H H 1 7.743 0.05 . 1 . . . A 34 LYS H . 18825 1 344 . 1 1 31 31 LYS HA H 1 4.642 0.05 . 1 . . . A 34 LYS HA . 18825 1 345 . 1 1 31 31 LYS HB2 H 1 1.662 0.05 . 2 . . . A 34 LYS HB2 . 18825 1 346 . 1 1 31 31 LYS HB3 H 1 1.815 0.05 . 2 . . . A 34 LYS HB3 . 18825 1 347 . 1 1 31 31 LYS HG2 H 1 1.294 0.05 . 2 . . . A 34 LYS HG2 . 18825 1 348 . 1 1 31 31 LYS HG3 H 1 1.295 0.05 . 2 . . . A 34 LYS HG3 . 18825 1 349 . 1 1 31 31 LYS HD2 H 1 1.470 0.05 . 2 . . . A 34 LYS HD2 . 18825 1 350 . 1 1 31 31 LYS HD3 H 1 1.537 0.05 . 2 . . . A 34 LYS HD3 . 18825 1 351 . 1 1 31 31 LYS HE2 H 1 2.815 0.05 . 2 . . . A 34 LYS HE2 . 18825 1 352 . 1 1 31 31 LYS HE3 H 1 2.815 0.05 . 2 . . . A 34 LYS HE3 . 18825 1 353 . 1 1 31 31 LYS C C 13 176.186 0.50 . 1 . . . A 34 LYS C . 18825 1 354 . 1 1 31 31 LYS CA C 13 54.265 0.50 . 1 . . . A 34 LYS CA . 18825 1 355 . 1 1 31 31 LYS CB C 13 34.866 0.50 . 1 . . . A 34 LYS CB . 18825 1 356 . 1 1 31 31 LYS CG C 13 24.271 0.50 . 1 . . . A 34 LYS CG . 18825 1 357 . 1 1 31 31 LYS CD C 13 28.760 0.50 . 1 . . . A 34 LYS CD . 18825 1 358 . 1 1 31 31 LYS CE C 13 41.924 0.50 . 1 . . . A 34 LYS CE . 18825 1 359 . 1 1 31 31 LYS N N 15 119.731 0.10 . 1 . . . A 34 LYS N . 18825 1 360 . 1 1 32 32 LEU H H 1 8.756 0.05 . 1 . . . A 35 LEU H . 18825 1 361 . 1 1 32 32 LEU HA H 1 4.389 0.05 . 1 . . . A 35 LEU HA . 18825 1 362 . 1 1 32 32 LEU HB2 H 1 1.569 0.05 . 2 . . . A 35 LEU HB2 . 18825 1 363 . 1 1 32 32 LEU HB3 H 1 1.672 0.05 . 2 . . . A 35 LEU HB3 . 18825 1 364 . 1 1 32 32 LEU HG H 1 1.641 0.05 . 1 . . . A 35 LEU HG . 18825 1 365 . 1 1 32 32 LEU HD11 H 1 0.776 0.05 . 2 . . . A 35 LEU HD11 . 18825 1 366 . 1 1 32 32 LEU HD12 H 1 0.776 0.05 . 2 . . . A 35 LEU HD12 . 18825 1 367 . 1 1 32 32 LEU HD13 H 1 0.776 0.05 . 2 . . . A 35 LEU HD13 . 18825 1 368 . 1 1 32 32 LEU HD21 H 1 0.869 0.05 . 2 . . . A 35 LEU HD21 . 18825 1 369 . 1 1 32 32 LEU HD22 H 1 0.869 0.05 . 2 . . . A 35 LEU HD22 . 18825 1 370 . 1 1 32 32 LEU HD23 H 1 0.869 0.05 . 2 . . . A 35 LEU HD23 . 18825 1 371 . 1 1 32 32 LEU C C 13 177.491 0.50 . 1 . . . A 35 LEU C . 18825 1 372 . 1 1 32 32 LEU CA C 13 55.200 0.50 . 1 . . . A 35 LEU CA . 18825 1 373 . 1 1 32 32 LEU CB C 13 42.022 0.50 . 1 . . . A 35 LEU CB . 18825 1 374 . 1 1 32 32 LEU CG C 13 26.795 0.50 . 1 . . . A 35 LEU CG . 18825 1 375 . 1 1 32 32 LEU CD1 C 13 23.165 0.50 . 2 . . . A 35 LEU CD1 . 18825 1 376 . 1 1 32 32 LEU CD2 C 13 24.703 0.50 . 2 . . . A 35 LEU CD2 . 18825 1 377 . 1 1 32 32 LEU N N 15 125.255 0.10 . 1 . . . A 35 LEU N . 18825 1 378 . 1 1 33 33 GLY H H 1 8.558 0.05 . 1 . . . A 36 GLY H . 18825 1 379 . 1 1 33 33 GLY HA2 H 1 3.787 0.05 . 2 . . . A 36 GLY HA2 . 18825 1 380 . 1 1 33 33 GLY HA3 H 1 4.233 0.05 . 2 . . . A 36 GLY HA3 . 18825 1 381 . 1 1 33 33 GLY C C 13 172.397 0.50 . 1 . . . A 36 GLY C . 18825 1 382 . 1 1 33 33 GLY CA C 13 44.812 0.50 . 1 . . . A 36 GLY CA . 18825 1 383 . 1 1 33 33 GLY N N 15 112.190 0.10 . 1 . . . A 36 GLY N . 18825 1 384 . 1 1 34 34 GLN H H 1 8.523 0.05 . 1 . . . A 37 GLN H . 18825 1 385 . 1 1 34 34 GLN HA H 1 4.956 0.05 . 1 . . . A 37 GLN HA . 18825 1 386 . 1 1 34 34 GLN HB2 H 1 1.626 0.05 . 2 . . . A 37 GLN HB2 . 18825 1 387 . 1 1 34 34 GLN HB3 H 1 2.014 0.05 . 2 . . . A 37 GLN HB3 . 18825 1 388 . 1 1 34 34 GLN HG2 H 1 1.808 0.05 . 2 . . . A 37 GLN HG2 . 18825 1 389 . 1 1 34 34 GLN HG3 H 1 2.578 0.05 . 2 . . . A 37 GLN HG3 . 18825 1 390 . 1 1 34 34 GLN HE21 H 1 6.711 0.05 . 2 . . . A 37 GLN HE21 . 18825 1 391 . 1 1 34 34 GLN HE22 H 1 7.471 0.05 . 2 . . . A 37 GLN HE22 . 18825 1 392 . 1 1 34 34 GLN C C 13 174.373 0.50 . 1 . . . A 37 GLN C . 18825 1 393 . 1 1 34 34 GLN CA C 13 53.004 0.50 . 1 . . . A 37 GLN CA . 18825 1 394 . 1 1 34 34 GLN CB C 13 29.827 0.50 . 1 . . . A 37 GLN CB . 18825 1 395 . 1 1 34 34 GLN CG C 13 32.882 0.50 . 1 . . . A 37 GLN CG . 18825 1 396 . 1 1 34 34 GLN N N 15 120.566 0.10 . 1 . . . A 37 GLN N . 18825 1 397 . 1 1 34 34 GLN NE2 N 15 113.083 0.10 . 1 . . . A 37 GLN NE2 . 18825 1 398 . 1 1 35 35 TYR H H 1 9.178 0.05 . 1 . . . A 38 TYR H . 18825 1 399 . 1 1 35 35 TYR HA H 1 5.312 0.05 . 1 . . . A 38 TYR HA . 18825 1 400 . 1 1 35 35 TYR HB2 H 1 2.728 0.05 . 2 . . . A 38 TYR HB2 . 18825 1 401 . 1 1 35 35 TYR HB3 H 1 3.124 0.05 . 2 . . . A 38 TYR HB3 . 18825 1 402 . 1 1 35 35 TYR HD1 H 1 6.984 0.05 . 3 . . . A 38 TYR HD1 . 18825 1 403 . 1 1 35 35 TYR HD2 H 1 6.984 0.05 . 3 . . . A 38 TYR HD2 . 18825 1 404 . 1 1 35 35 TYR HE1 H 1 6.741 0.05 . 3 . . . A 38 TYR HE1 . 18825 1 405 . 1 1 35 35 TYR HE2 H 1 6.741 0.05 . 3 . . . A 38 TYR HE2 . 18825 1 406 . 1 1 35 35 TYR C C 13 175.697 0.50 . 1 . . . A 38 TYR C . 18825 1 407 . 1 1 35 35 TYR CA C 13 55.754 0.50 . 1 . . . A 38 TYR CA . 18825 1 408 . 1 1 35 35 TYR CB C 13 42.509 0.50 . 1 . . . A 38 TYR CB . 18825 1 409 . 1 1 35 35 TYR CD1 C 13 133.466 0.50 . 3 . . . A 38 TYR CD1 . 18825 1 410 . 1 1 35 35 TYR CD2 C 13 133.466 0.50 . 3 . . . A 38 TYR CD2 . 18825 1 411 . 1 1 35 35 TYR CE1 C 13 117.922 0.50 . 3 . . . A 38 TYR CE1 . 18825 1 412 . 1 1 35 35 TYR CE2 C 13 117.922 0.50 . 3 . . . A 38 TYR CE2 . 18825 1 413 . 1 1 35 35 TYR N N 15 119.458 0.10 . 1 . . . A 38 TYR N . 18825 1 414 . 1 1 36 36 ILE H H 1 9.377 0.05 . 1 . . . A 39 ILE H . 18825 1 415 . 1 1 36 36 ILE HA H 1 4.543 0.05 . 1 . . . A 39 ILE HA . 18825 1 416 . 1 1 36 36 ILE HB H 1 2.323 0.05 . 1 . . . A 39 ILE HB . 18825 1 417 . 1 1 36 36 ILE HG12 H 1 1.117 0.05 . 2 . . . A 39 ILE HG12 . 18825 1 418 . 1 1 36 36 ILE HG13 H 1 1.309 0.05 . 2 . . . A 39 ILE HG13 . 18825 1 419 . 1 1 36 36 ILE HG21 H 1 0.612 0.05 . 1 . . . A 39 ILE HG21 . 18825 1 420 . 1 1 36 36 ILE HG22 H 1 0.612 0.05 . 1 . . . A 39 ILE HG22 . 18825 1 421 . 1 1 36 36 ILE HG23 H 1 0.612 0.05 . 1 . . . A 39 ILE HG23 . 18825 1 422 . 1 1 36 36 ILE HD11 H 1 0.363 0.05 . 1 . . . A 39 ILE HD11 . 18825 1 423 . 1 1 36 36 ILE HD12 H 1 0.363 0.05 . 1 . . . A 39 ILE HD12 . 18825 1 424 . 1 1 36 36 ILE HD13 H 1 0.363 0.05 . 1 . . . A 39 ILE HD13 . 18825 1 425 . 1 1 36 36 ILE C C 13 175.660 0.50 . 1 . . . A 39 ILE C . 18825 1 426 . 1 1 36 36 ILE CA C 13 58.638 0.50 . 1 . . . A 39 ILE CA . 18825 1 427 . 1 1 36 36 ILE CB C 13 34.914 0.50 . 1 . . . A 39 ILE CB . 18825 1 428 . 1 1 36 36 ILE CG1 C 13 27.270 0.50 . 1 . . . A 39 ILE CG1 . 18825 1 429 . 1 1 36 36 ILE CG2 C 13 19.191 0.50 . 1 . . . A 39 ILE CG2 . 18825 1 430 . 1 1 36 36 ILE CD1 C 13 11.536 0.50 . 1 . . . A 39 ILE CD1 . 18825 1 431 . 1 1 36 36 ILE N N 15 121.489 0.10 . 1 . . . A 39 ILE N . 18825 1 432 . 1 1 37 37 ARG H H 1 9.198 0.05 . 1 . . . A 40 ARG H . 18825 1 433 . 1 1 37 37 ARG HA H 1 4.315 0.05 . 1 . . . A 40 ARG HA . 18825 1 434 . 1 1 37 37 ARG HB3 H 1 1.575 0.05 . 2 . . . A 40 ARG HB3 . 18825 1 435 . 1 1 37 37 ARG HG2 H 1 1.360 0.05 . 2 . . . A 40 ARG HG2 . 18825 1 436 . 1 1 37 37 ARG HD2 H 1 2.659 0.05 . 2 . . . A 40 ARG HD2 . 18825 1 437 . 1 1 37 37 ARG HD3 H 1 2.970 0.05 . 2 . . . A 40 ARG HD3 . 18825 1 438 . 1 1 37 37 ARG C C 13 175.098 0.50 . 1 . . . A 40 ARG C . 18825 1 439 . 1 1 37 37 ARG CA C 13 56.915 0.50 . 1 . . . A 40 ARG CA . 18825 1 440 . 1 1 37 37 ARG CB C 13 31.459 0.50 . 1 . . . A 40 ARG CB . 18825 1 441 . 1 1 37 37 ARG CG C 13 27.038 0.50 . 1 . . . A 40 ARG CG . 18825 1 442 . 1 1 37 37 ARG CD C 13 42.501 0.50 . 1 . . . A 40 ARG CD . 18825 1 443 . 1 1 37 37 ARG N N 15 129.668 0.10 . 1 . . . A 40 ARG N . 18825 1 444 . 1 1 38 38 LEU H H 1 7.256 0.05 . 1 . . . A 41 LEU H . 18825 1 445 . 1 1 38 38 LEU HA H 1 4.361 0.05 . 1 . . . A 41 LEU HA . 18825 1 446 . 1 1 38 38 LEU HB2 H 1 1.233 0.05 . 2 . . . A 41 LEU HB2 . 18825 1 447 . 1 1 38 38 LEU HB3 H 1 1.329 0.05 . 2 . . . A 41 LEU HB3 . 18825 1 448 . 1 1 38 38 LEU HG H 1 1.222 0.05 . 1 . . . A 41 LEU HG . 18825 1 449 . 1 1 38 38 LEU HD11 H 1 0.466 0.05 . 2 . . . A 41 LEU HD11 . 18825 1 450 . 1 1 38 38 LEU HD12 H 1 0.466 0.05 . 2 . . . A 41 LEU HD12 . 18825 1 451 . 1 1 38 38 LEU HD13 H 1 0.466 0.05 . 2 . . . A 41 LEU HD13 . 18825 1 452 . 1 1 38 38 LEU HD21 H 1 0.638 0.05 . 2 . . . A 41 LEU HD21 . 18825 1 453 . 1 1 38 38 LEU HD22 H 1 0.638 0.05 . 2 . . . A 41 LEU HD22 . 18825 1 454 . 1 1 38 38 LEU HD23 H 1 0.638 0.05 . 2 . . . A 41 LEU HD23 . 18825 1 455 . 1 1 38 38 LEU C C 13 174.101 0.50 . 1 . . . A 41 LEU C . 18825 1 456 . 1 1 38 38 LEU CA C 13 54.728 0.50 . 1 . . . A 41 LEU CA . 18825 1 457 . 1 1 38 38 LEU CB C 13 45.040 0.50 . 1 . . . A 41 LEU CB . 18825 1 458 . 1 1 38 38 LEU CG C 13 26.906 0.50 . 1 . . . A 41 LEU CG . 18825 1 459 . 1 1 38 38 LEU CD1 C 13 24.259 0.50 . 2 . . . A 41 LEU CD1 . 18825 1 460 . 1 1 38 38 LEU CD2 C 13 23.991 0.50 . 2 . . . A 41 LEU CD2 . 18825 1 461 . 1 1 38 38 LEU N N 15 116.188 0.10 . 1 . . . A 41 LEU N . 18825 1 462 . 1 1 39 39 VAL H H 1 8.833 0.05 . 1 . . . A 42 VAL H . 18825 1 463 . 1 1 39 39 VAL HA H 1 4.285 0.05 . 1 . . . A 42 VAL HA . 18825 1 464 . 1 1 39 39 VAL HB H 1 1.878 0.05 . 1 . . . A 42 VAL HB . 18825 1 465 . 1 1 39 39 VAL HG11 H 1 0.538 0.05 . 2 . . . A 42 VAL HG11 . 18825 1 466 . 1 1 39 39 VAL HG12 H 1 0.538 0.05 . 2 . . . A 42 VAL HG12 . 18825 1 467 . 1 1 39 39 VAL HG13 H 1 0.538 0.05 . 2 . . . A 42 VAL HG13 . 18825 1 468 . 1 1 39 39 VAL HG21 H 1 0.709 0.05 . 2 . . . A 42 VAL HG21 . 18825 1 469 . 1 1 39 39 VAL HG22 H 1 0.709 0.05 . 2 . . . A 42 VAL HG22 . 18825 1 470 . 1 1 39 39 VAL HG23 H 1 0.709 0.05 . 2 . . . A 42 VAL HG23 . 18825 1 471 . 1 1 39 39 VAL C C 13 175.715 0.50 . 1 . . . A 42 VAL C . 18825 1 472 . 1 1 39 39 VAL CA C 13 61.802 0.50 . 1 . . . A 42 VAL CA . 18825 1 473 . 1 1 39 39 VAL CB C 13 32.891 0.50 . 1 . . . A 42 VAL CB . 18825 1 474 . 1 1 39 39 VAL CG1 C 13 21.236 0.50 . 2 . . . A 42 VAL CG1 . 18825 1 475 . 1 1 39 39 VAL CG2 C 13 21.064 0.50 . 2 . . . A 42 VAL CG2 . 18825 1 476 . 1 1 39 39 VAL N N 15 126.199 0.10 . 1 . . . A 42 VAL N . 18825 1 477 . 1 1 40 40 GLU H H 1 9.018 0.05 . 1 . . . A 43 GLU H . 18825 1 478 . 1 1 40 40 GLU HA H 1 4.284 0.05 . 1 . . . A 43 GLU HA . 18825 1 479 . 1 1 40 40 GLU HB2 H 1 1.937 0.05 . 2 . . . A 43 GLU HB2 . 18825 1 480 . 1 1 40 40 GLU HB3 H 1 2.007 0.05 . 2 . . . A 43 GLU HB3 . 18825 1 481 . 1 1 40 40 GLU HG2 H 1 2.231 0.05 . 2 . . . A 43 GLU HG2 . 18825 1 482 . 1 1 40 40 GLU HG3 H 1 2.438 0.05 . 2 . . . A 43 GLU HG3 . 18825 1 483 . 1 1 40 40 GLU CA C 13 54.706 0.50 . 1 . . . A 43 GLU CA . 18825 1 484 . 1 1 40 40 GLU CB C 13 27.816 0.50 . 1 . . . A 43 GLU CB . 18825 1 485 . 1 1 40 40 GLU CG C 13 35.958 0.50 . 1 . . . A 43 GLU CG . 18825 1 486 . 1 1 40 40 GLU N N 15 128.308 0.10 . 1 . . . A 43 GLU N . 18825 1 487 . 1 1 41 41 PRO HA H 1 4.528 0.05 . 1 . . . A 44 PRO HA . 18825 1 488 . 1 1 41 41 PRO HB2 H 1 1.895 0.05 . 2 . . . A 44 PRO HB2 . 18825 1 489 . 1 1 41 41 PRO HB3 H 1 2.328 0.05 . 2 . . . A 44 PRO HB3 . 18825 1 490 . 1 1 41 41 PRO HG2 H 1 2.012 0.05 . 2 . . . A 44 PRO HG2 . 18825 1 491 . 1 1 41 41 PRO HG3 H 1 2.117 0.05 . 2 . . . A 44 PRO HG3 . 18825 1 492 . 1 1 41 41 PRO HD2 H 1 3.956 0.05 . 2 . . . A 44 PRO HD2 . 18825 1 493 . 1 1 41 41 PRO HD3 H 1 3.656 0.05 . 2 . . . A 44 PRO HD3 . 18825 1 494 . 1 1 41 41 PRO C C 13 178.398 0.50 . 1 . . . A 44 PRO C . 18825 1 495 . 1 1 41 41 PRO CA C 13 63.266 0.50 . 1 . . . A 44 PRO CA . 18825 1 496 . 1 1 41 41 PRO CB C 13 31.431 0.50 . 1 . . . A 44 PRO CB . 18825 1 497 . 1 1 41 41 PRO CG C 13 27.314 0.50 . 1 . . . A 44 PRO CG . 18825 1 498 . 1 1 41 41 PRO CD C 13 50.668 0.50 . 1 . . . A 44 PRO CD . 18825 1 499 . 1 1 42 42 GLY H H 1 9.467 0.05 . 1 . . . A 45 GLY H . 18825 1 500 . 1 1 42 42 GLY HA2 H 1 3.701 0.05 . 2 . . . A 45 GLY HA2 . 18825 1 501 . 1 1 42 42 GLY HA3 H 1 4.050 0.05 . 2 . . . A 45 GLY HA3 . 18825 1 502 . 1 1 42 42 GLY C C 13 173.648 0.50 . 1 . . . A 45 GLY C . 18825 1 503 . 1 1 42 42 GLY CA C 13 45.561 0.50 . 1 . . . A 45 GLY CA . 18825 1 504 . 1 1 42 42 GLY N N 15 113.447 0.10 . 1 . . . A 45 GLY N . 18825 1 505 . 1 1 43 43 SER H H 1 7.522 0.05 . 1 . . . A 46 SER H . 18825 1 506 . 1 1 43 43 SER HA H 1 4.713 0.05 . 1 . . . A 46 SER HA . 18825 1 507 . 1 1 43 43 SER HB2 H 1 4.013 0.05 . 2 . . . A 46 SER HB2 . 18825 1 508 . 1 1 43 43 SER HB3 H 1 4.351 0.05 . 2 . . . A 46 SER HB3 . 18825 1 509 . 1 1 43 43 SER HG H 1 6.403 0.05 . 1 . . . A 46 SER HG . 18825 1 510 . 1 1 43 43 SER CA C 13 57.146 0.50 . 1 . . . A 46 SER CA . 18825 1 511 . 1 1 43 43 SER CB C 13 64.398 0.50 . 1 . . . A 46 SER CB . 18825 1 512 . 1 1 43 43 SER N N 15 114.357 0.10 . 1 . . . A 46 SER N . 18825 1 513 . 1 1 44 44 PRO HA H 1 4.340 0.05 . 1 . . . A 47 PRO HA . 18825 1 514 . 1 1 44 44 PRO HB2 H 1 2.263 0.05 . 2 . . . A 47 PRO HB2 . 18825 1 515 . 1 1 44 44 PRO HB3 H 1 3.139 0.05 . 2 . . . A 47 PRO HB3 . 18825 1 516 . 1 1 44 44 PRO HG2 H 1 2.133 0.05 . 2 . . . A 47 PRO HG2 . 18825 1 517 . 1 1 44 44 PRO HG3 H 1 2.433 0.05 . 2 . . . A 47 PRO HG3 . 18825 1 518 . 1 1 44 44 PRO HD2 H 1 3.542 0.05 . 2 . . . A 47 PRO HD2 . 18825 1 519 . 1 1 44 44 PRO HD3 H 1 3.795 0.05 . 2 . . . A 47 PRO HD3 . 18825 1 520 . 1 1 44 44 PRO C C 13 180.066 0.50 . 1 . . . A 47 PRO C . 18825 1 521 . 1 1 44 44 PRO CA C 13 65.846 0.50 . 1 . . . A 47 PRO CA . 18825 1 522 . 1 1 44 44 PRO CB C 13 32.881 0.50 . 1 . . . A 47 PRO CB . 18825 1 523 . 1 1 44 44 PRO CG C 13 28.330 0.50 . 1 . . . A 47 PRO CG . 18825 1 524 . 1 1 44 44 PRO CD C 13 50.132 0.50 . 1 . . . A 47 PRO CD . 18825 1 525 . 1 1 45 45 ALA H H 1 8.291 0.05 . 1 . . . A 48 ALA H . 18825 1 526 . 1 1 45 45 ALA HA H 1 3.814 0.05 . 1 . . . A 48 ALA HA . 18825 1 527 . 1 1 45 45 ALA HB1 H 1 1.436 0.05 . 1 . . . A 48 ALA HB1 . 18825 1 528 . 1 1 45 45 ALA HB2 H 1 1.436 0.05 . 1 . . . A 48 ALA HB2 . 18825 1 529 . 1 1 45 45 ALA HB3 H 1 1.436 0.05 . 1 . . . A 48 ALA HB3 . 18825 1 530 . 1 1 45 45 ALA C C 13 177.106 0.50 . 1 . . . A 48 ALA C . 18825 1 531 . 1 1 45 45 ALA CA C 13 55.153 0.50 . 1 . . . A 48 ALA CA . 18825 1 532 . 1 1 45 45 ALA CB C 13 20.146 0.50 . 1 . . . A 48 ALA CB . 18825 1 533 . 1 1 45 45 ALA N N 15 117.519 0.10 . 1 . . . A 48 ALA N . 18825 1 534 . 1 1 46 46 GLU H H 1 8.094 0.05 . 1 . . . A 49 GLU H . 18825 1 535 . 1 1 46 46 GLU HA H 1 3.869 0.05 . 1 . . . A 49 GLU HA . 18825 1 536 . 1 1 46 46 GLU HB2 H 1 2.058 0.05 . 2 . . . A 49 GLU HB2 . 18825 1 537 . 1 1 46 46 GLU HB3 H 1 2.059 0.05 . 2 . . . A 49 GLU HB3 . 18825 1 538 . 1 1 46 46 GLU HG2 H 1 2.074 0.05 . 2 . . . A 49 GLU HG2 . 18825 1 539 . 1 1 46 46 GLU HG3 H 1 2.203 0.05 . 2 . . . A 49 GLU HG3 . 18825 1 540 . 1 1 46 46 GLU C C 13 181.226 0.50 . 1 . . . A 49 GLU C . 18825 1 541 . 1 1 46 46 GLU CA C 13 59.224 0.50 . 1 . . . A 49 GLU CA . 18825 1 542 . 1 1 46 46 GLU CB C 13 29.760 0.50 . 1 . . . A 49 GLU CB . 18825 1 543 . 1 1 46 46 GLU CG C 13 36.918 0.50 . 1 . . . A 49 GLU CG . 18825 1 544 . 1 1 46 46 GLU N N 15 120.456 0.10 . 1 . . . A 49 GLU N . 18825 1 545 . 1 1 47 47 LYS H H 1 8.357 0.05 . 1 . . . A 50 LYS H . 18825 1 546 . 1 1 47 47 LYS HA H 1 3.967 0.05 . 1 . . . A 50 LYS HA . 18825 1 547 . 1 1 47 47 LYS HB2 H 1 1.900 0.05 . 2 . . . A 50 LYS HB2 . 18825 1 548 . 1 1 47 47 LYS HB3 H 1 1.901 0.05 . 2 . . . A 50 LYS HB3 . 18825 1 549 . 1 1 47 47 LYS HG2 H 1 1.449 0.05 . 2 . . . A 50 LYS HG2 . 18825 1 550 . 1 1 47 47 LYS HG3 H 1 1.510 0.05 . 2 . . . A 50 LYS HG3 . 18825 1 551 . 1 1 47 47 LYS HD2 H 1 1.611 0.05 . 2 . . . A 50 LYS HD2 . 18825 1 552 . 1 1 47 47 LYS HD3 H 1 1.611 0.05 . 2 . . . A 50 LYS HD3 . 18825 1 553 . 1 1 47 47 LYS HE2 H 1 2.881 0.05 . 2 . . . A 50 LYS HE2 . 18825 1 554 . 1 1 47 47 LYS HE3 H 1 2.881 0.05 . 2 . . . A 50 LYS HE3 . 18825 1 555 . 1 1 47 47 LYS C C 13 177.623 0.50 . 1 . . . A 50 LYS C . 18825 1 556 . 1 1 47 47 LYS CA C 13 58.783 0.50 . 1 . . . A 50 LYS CA . 18825 1 557 . 1 1 47 47 LYS CB C 13 31.847 0.50 . 1 . . . A 50 LYS CB . 18825 1 558 . 1 1 47 47 LYS CG C 13 25.224 0.50 . 1 . . . A 50 LYS CG . 18825 1 559 . 1 1 47 47 LYS CD C 13 28.855 0.50 . 1 . . . A 50 LYS CD . 18825 1 560 . 1 1 47 47 LYS CE C 13 42.008 0.50 . 1 . . . A 50 LYS CE . 18825 1 561 . 1 1 47 47 LYS N N 15 121.041 0.10 . 1 . . . A 50 LYS N . 18825 1 562 . 1 1 48 48 ALA H H 1 7.724 0.05 . 1 . . . A 51 ALA H . 18825 1 563 . 1 1 48 48 ALA HA H 1 4.337 0.05 . 1 . . . A 51 ALA HA . 18825 1 564 . 1 1 48 48 ALA HB1 H 1 1.361 0.05 . 1 . . . A 51 ALA HB1 . 18825 1 565 . 1 1 48 48 ALA HB2 H 1 1.361 0.05 . 1 . . . A 51 ALA HB2 . 18825 1 566 . 1 1 48 48 ALA HB3 H 1 1.361 0.05 . 1 . . . A 51 ALA HB3 . 18825 1 567 . 1 1 48 48 ALA C C 13 177.655 0.50 . 1 . . . A 51 ALA C . 18825 1 568 . 1 1 48 48 ALA CA C 13 52.161 0.50 . 1 . . . A 51 ALA CA . 18825 1 569 . 1 1 48 48 ALA CB C 13 20.729 0.50 . 1 . . . A 51 ALA CB . 18825 1 570 . 1 1 48 48 ALA N N 15 117.268 0.10 . 1 . . . A 51 ALA N . 18825 1 571 . 1 1 49 49 GLY H H 1 7.552 0.05 . 1 . . . A 52 GLY H . 18825 1 572 . 1 1 49 49 GLY HA2 H 1 3.691 0.05 . 2 . . . A 52 GLY HA2 . 18825 1 573 . 1 1 49 49 GLY HA3 H 1 4.245 0.05 . 2 . . . A 52 GLY HA3 . 18825 1 574 . 1 1 49 49 GLY C C 13 174.931 0.50 . 1 . . . A 52 GLY C . 18825 1 575 . 1 1 49 49 GLY CA C 13 45.068 0.50 . 1 . . . A 52 GLY CA . 18825 1 576 . 1 1 49 49 GLY N N 15 103.239 0.10 . 1 . . . A 52 GLY N . 18825 1 577 . 1 1 50 50 LEU H H 1 7.403 0.05 . 1 . . . A 53 LEU H . 18825 1 578 . 1 1 50 50 LEU HA H 1 3.876 0.05 . 1 . . . A 53 LEU HA . 18825 1 579 . 1 1 50 50 LEU HB2 H 1 1.062 0.05 . 2 . . . A 53 LEU HB2 . 18825 1 580 . 1 1 50 50 LEU HB3 H 1 1.201 0.05 . 2 . . . A 53 LEU HB3 . 18825 1 581 . 1 1 50 50 LEU HG H 1 1.331 0.05 . 1 . . . A 53 LEU HG . 18825 1 582 . 1 1 50 50 LEU HD11 H 1 0.331 0.05 . 2 . . . A 53 LEU HD11 . 18825 1 583 . 1 1 50 50 LEU HD12 H 1 0.331 0.05 . 2 . . . A 53 LEU HD12 . 18825 1 584 . 1 1 50 50 LEU HD13 H 1 0.331 0.05 . 2 . . . A 53 LEU HD13 . 18825 1 585 . 1 1 50 50 LEU HD21 H 1 0.349 0.05 . 2 . . . A 53 LEU HD21 . 18825 1 586 . 1 1 50 50 LEU HD22 H 1 0.349 0.05 . 2 . . . A 53 LEU HD22 . 18825 1 587 . 1 1 50 50 LEU HD23 H 1 0.349 0.05 . 2 . . . A 53 LEU HD23 . 18825 1 588 . 1 1 50 50 LEU C C 13 174.899 0.50 . 1 . . . A 53 LEU C . 18825 1 589 . 1 1 50 50 LEU CA C 13 55.206 0.50 . 1 . . . A 53 LEU CA . 18825 1 590 . 1 1 50 50 LEU CB C 13 43.550 0.50 . 1 . . . A 53 LEU CB . 18825 1 591 . 1 1 50 50 LEU CG C 13 26.367 0.50 . 1 . . . A 53 LEU CG . 18825 1 592 . 1 1 50 50 LEU CD1 C 13 25.267 0.50 . 2 . . . A 53 LEU CD1 . 18825 1 593 . 1 1 50 50 LEU CD2 C 13 24.765 0.50 . 2 . . . A 53 LEU CD2 . 18825 1 594 . 1 1 50 50 LEU N N 15 120.997 0.10 . 1 . . . A 53 LEU N . 18825 1 595 . 1 1 51 51 LEU H H 1 8.535 0.05 . 1 . . . A 54 LEU H . 18825 1 596 . 1 1 51 51 LEU HA H 1 4.542 0.05 . 1 . . . A 54 LEU HA . 18825 1 597 . 1 1 51 51 LEU HB2 H 1 1.187 0.05 . 2 . . . A 54 LEU HB2 . 18825 1 598 . 1 1 51 51 LEU HB3 H 1 1.761 0.05 . 2 . . . A 54 LEU HB3 . 18825 1 599 . 1 1 51 51 LEU HG H 1 1.436 0.05 . 1 . . . A 54 LEU HG . 18825 1 600 . 1 1 51 51 LEU HD11 H 1 0.787 0.05 . 2 . . . A 54 LEU HD11 . 18825 1 601 . 1 1 51 51 LEU HD12 H 1 0.787 0.05 . 2 . . . A 54 LEU HD12 . 18825 1 602 . 1 1 51 51 LEU HD13 H 1 0.787 0.05 . 2 . . . A 54 LEU HD13 . 18825 1 603 . 1 1 51 51 LEU HD21 H 1 0.821 0.05 . 2 . . . A 54 LEU HD21 . 18825 1 604 . 1 1 51 51 LEU HD22 H 1 0.821 0.05 . 2 . . . A 54 LEU HD22 . 18825 1 605 . 1 1 51 51 LEU HD23 H 1 0.821 0.05 . 2 . . . A 54 LEU HD23 . 18825 1 606 . 1 1 51 51 LEU C C 13 176.168 0.50 . 1 . . . A 54 LEU C . 18825 1 607 . 1 1 51 51 LEU CA C 13 52.995 0.50 . 1 . . . A 54 LEU CA . 18825 1 608 . 1 1 51 51 LEU CB C 13 45.607 0.50 . 1 . . . A 54 LEU CB . 18825 1 609 . 1 1 51 51 LEU CG C 13 25.747 0.50 . 1 . . . A 54 LEU CG . 18825 1 610 . 1 1 51 51 LEU CD1 C 13 22.892 0.50 . 2 . . . A 54 LEU CD1 . 18825 1 611 . 1 1 51 51 LEU CD2 C 13 25.249 0.50 . 2 . . . A 54 LEU CD2 . 18825 1 612 . 1 1 51 51 LEU N N 15 122.996 0.10 . 1 . . . A 54 LEU N . 18825 1 613 . 1 1 52 52 ALA H H 1 8.555 0.05 . 1 . . . A 55 ALA H . 18825 1 614 . 1 1 52 52 ALA HA H 1 3.805 0.05 . 1 . . . A 55 ALA HA . 18825 1 615 . 1 1 52 52 ALA HB1 H 1 1.286 0.05 . 1 . . . A 55 ALA HB1 . 18825 1 616 . 1 1 52 52 ALA HB2 H 1 1.286 0.05 . 1 . . . A 55 ALA HB2 . 18825 1 617 . 1 1 52 52 ALA HB3 H 1 1.286 0.05 . 1 . . . A 55 ALA HB3 . 18825 1 618 . 1 1 52 52 ALA C C 13 179.341 0.50 . 1 . . . A 55 ALA C . 18825 1 619 . 1 1 52 52 ALA CA C 13 53.015 0.50 . 1 . . . A 55 ALA CA . 18825 1 620 . 1 1 52 52 ALA CB C 13 17.146 0.50 . 1 . . . A 55 ALA CB . 18825 1 621 . 1 1 52 52 ALA N N 15 122.344 0.10 . 1 . . . A 55 ALA N . 18825 1 622 . 1 1 53 53 GLY H H 1 9.495 0.05 . 1 . . . A 56 GLY H . 18825 1 623 . 1 1 53 53 GLY HA2 H 1 3.663 0.05 . 2 . . . A 56 GLY HA2 . 18825 1 624 . 1 1 53 53 GLY HA3 H 1 4.378 0.05 . 2 . . . A 56 GLY HA3 . 18825 1 625 . 1 1 53 53 GLY C C 13 174.482 0.50 . 1 . . . A 56 GLY C . 18825 1 626 . 1 1 53 53 GLY CA C 13 44.184 0.50 . 1 . . . A 56 GLY CA . 18825 1 627 . 1 1 53 53 GLY N N 15 112.777 0.10 . 1 . . . A 56 GLY N . 18825 1 628 . 1 1 54 54 ASP H H 1 7.976 0.05 . 1 . . . A 57 ASP H . 18825 1 629 . 1 1 54 54 ASP HA H 1 4.575 0.05 . 1 . . . A 57 ASP HA . 18825 1 630 . 1 1 54 54 ASP HB2 H 1 2.630 0.05 . 2 . . . A 57 ASP HB2 . 18825 1 631 . 1 1 54 54 ASP HB3 H 1 2.032 0.05 . 2 . . . A 57 ASP HB3 . 18825 1 632 . 1 1 54 54 ASP C C 13 174.582 0.50 . 1 . . . A 57 ASP C . 18825 1 633 . 1 1 54 54 ASP CA C 13 55.324 0.50 . 1 . . . A 57 ASP CA . 18825 1 634 . 1 1 54 54 ASP CB C 13 41.985 0.50 . 1 . . . A 57 ASP CB . 18825 1 635 . 1 1 54 54 ASP N N 15 122.340 0.10 . 1 . . . A 57 ASP N . 18825 1 636 . 1 1 55 55 ARG H H 1 8.610 0.05 . 1 . . . A 58 ARG H . 18825 1 637 . 1 1 55 55 ARG HA H 1 4.275 0.05 . 1 . . . A 58 ARG HA . 18825 1 638 . 1 1 55 55 ARG HB2 H 1 1.421 0.05 . 2 . . . A 58 ARG HB2 . 18825 1 639 . 1 1 55 55 ARG HB3 H 1 1.593 0.05 . 2 . . . A 58 ARG HB3 . 18825 1 640 . 1 1 55 55 ARG HG2 H 1 1.327 0.05 . 2 . . . A 58 ARG HG2 . 18825 1 641 . 1 1 55 55 ARG HD2 H 1 3.083 0.05 . 2 . . . A 58 ARG HD2 . 18825 1 642 . 1 1 55 55 ARG HD3 H 1 3.083 0.05 . 2 . . . A 58 ARG HD3 . 18825 1 643 . 1 1 55 55 ARG C C 13 175.555 0.50 . 1 . . . A 58 ARG C . 18825 1 644 . 1 1 55 55 ARG CA C 13 54.714 0.50 . 1 . . . A 58 ARG CA . 18825 1 645 . 1 1 55 55 ARG CB C 13 32.425 0.50 . 1 . . . A 58 ARG CB . 18825 1 646 . 1 1 55 55 ARG CD C 13 43.100 0.50 . 1 . . . A 58 ARG CD . 18825 1 647 . 1 1 55 55 ARG N N 15 121.851 0.10 . 1 . . . A 58 ARG N . 18825 1 648 . 1 1 56 56 LEU H H 1 8.143 0.05 . 1 . . . A 59 LEU H . 18825 1 649 . 1 1 56 56 LEU HA H 1 4.106 0.05 . 1 . . . A 59 LEU HA . 18825 1 650 . 1 1 56 56 LEU HB2 H 1 0.902 0.05 . 2 . . . A 59 LEU HB2 . 18825 1 651 . 1 1 56 56 LEU HB3 H 1 1.430 0.05 . 2 . . . A 59 LEU HB3 . 18825 1 652 . 1 1 56 56 LEU HG H 1 1.129 0.05 . 1 . . . A 59 LEU HG . 18825 1 653 . 1 1 56 56 LEU HD11 H 1 0.609 0.05 . 2 . . . A 59 LEU HD11 . 18825 1 654 . 1 1 56 56 LEU HD12 H 1 0.609 0.05 . 2 . . . A 59 LEU HD12 . 18825 1 655 . 1 1 56 56 LEU HD13 H 1 0.609 0.05 . 2 . . . A 59 LEU HD13 . 18825 1 656 . 1 1 56 56 LEU HD21 H 1 0.500 0.05 . 2 . . . A 59 LEU HD21 . 18825 1 657 . 1 1 56 56 LEU HD22 H 1 0.500 0.05 . 2 . . . A 59 LEU HD22 . 18825 1 658 . 1 1 56 56 LEU HD23 H 1 0.500 0.05 . 2 . . . A 59 LEU HD23 . 18825 1 659 . 1 1 56 56 LEU C C 13 174.627 0.50 . 1 . . . A 59 LEU C . 18825 1 660 . 1 1 56 56 LEU CA C 13 55.236 0.50 . 1 . . . A 59 LEU CA . 18825 1 661 . 1 1 56 56 LEU CB C 13 43.028 0.50 . 1 . . . A 59 LEU CB . 18825 1 662 . 1 1 56 56 LEU CG C 13 27.768 0.50 . 1 . . . A 59 LEU CG . 18825 1 663 . 1 1 56 56 LEU CD1 C 13 25.114 0.50 . 2 . . . A 59 LEU CD1 . 18825 1 664 . 1 1 56 56 LEU CD2 C 13 26.767 0.50 . 2 . . . A 59 LEU CD2 . 18825 1 665 . 1 1 56 56 LEU N N 15 126.363 0.10 . 1 . . . A 59 LEU N . 18825 1 666 . 1 1 57 57 VAL H H 1 8.830 0.05 . 1 . . . A 60 VAL H . 18825 1 667 . 1 1 57 57 VAL HA H 1 3.983 0.05 . 1 . . . A 60 VAL HA . 18825 1 668 . 1 1 57 57 VAL HB H 1 1.453 0.05 . 1 . . . A 60 VAL HB . 18825 1 669 . 1 1 57 57 VAL HG11 H 1 0.645 0.05 . 2 . . . A 60 VAL HG11 . 18825 1 670 . 1 1 57 57 VAL HG12 H 1 0.645 0.05 . 2 . . . A 60 VAL HG12 . 18825 1 671 . 1 1 57 57 VAL HG13 H 1 0.645 0.05 . 2 . . . A 60 VAL HG13 . 18825 1 672 . 1 1 57 57 VAL HG21 H 1 0.803 0.05 . 2 . . . A 60 VAL HG21 . 18825 1 673 . 1 1 57 57 VAL HG22 H 1 0.803 0.05 . 2 . . . A 60 VAL HG22 . 18825 1 674 . 1 1 57 57 VAL HG23 H 1 0.803 0.05 . 2 . . . A 60 VAL HG23 . 18825 1 675 . 1 1 57 57 VAL CA C 13 63.831 0.50 . 1 . . . A 60 VAL CA . 18825 1 676 . 1 1 57 57 VAL CB C 13 33.328 0.50 . 1 . . . A 60 VAL CB . 18825 1 677 . 1 1 57 57 VAL CG1 C 13 20.682 0.50 . 2 . . . A 60 VAL CG1 . 18825 1 678 . 1 1 57 57 VAL CG2 C 13 21.171 0.50 . 2 . . . A 60 VAL CG2 . 18825 1 679 . 1 1 57 57 VAL N N 15 124.045 0.10 . 1 . . . A 60 VAL N . 18825 1 680 . 1 1 58 58 GLU H H 1 7.392 0.05 . 1 . . . A 61 GLU H . 18825 1 681 . 1 1 58 58 GLU HA H 1 5.247 0.05 . 1 . . . A 61 GLU HA . 18825 1 682 . 1 1 58 58 GLU HB2 H 1 1.368 0.05 . 2 . . . A 61 GLU HB2 . 18825 1 683 . 1 1 58 58 GLU HB3 H 1 1.765 0.05 . 2 . . . A 61 GLU HB3 . 18825 1 684 . 1 1 58 58 GLU HG2 H 1 2.019 0.05 . 2 . . . A 61 GLU HG2 . 18825 1 685 . 1 1 58 58 GLU C C 13 175.760 0.50 . 1 . . . A 61 GLU C . 18825 1 686 . 1 1 58 58 GLU CA C 13 54.229 0.50 . 1 . . . A 61 GLU CA . 18825 1 687 . 1 1 58 58 GLU CB C 13 34.470 0.50 . 1 . . . A 61 GLU CB . 18825 1 688 . 1 1 58 58 GLU N N 15 112.667 0.10 . 1 . . . A 61 GLU N . 18825 1 689 . 1 1 59 59 VAL H H 1 8.380 0.05 . 1 . . . A 62 VAL H . 18825 1 690 . 1 1 59 59 VAL HA H 1 4.371 0.05 . 1 . . . A 62 VAL HA . 18825 1 691 . 1 1 59 59 VAL HB H 1 1.674 0.05 . 1 . . . A 62 VAL HB . 18825 1 692 . 1 1 59 59 VAL HG11 H 1 0.541 0.05 . 2 . . . A 62 VAL HG11 . 18825 1 693 . 1 1 59 59 VAL HG12 H 1 0.541 0.05 . 2 . . . A 62 VAL HG12 . 18825 1 694 . 1 1 59 59 VAL HG13 H 1 0.541 0.05 . 2 . . . A 62 VAL HG13 . 18825 1 695 . 1 1 59 59 VAL HG21 H 1 0.704 0.05 . 2 . . . A 62 VAL HG21 . 18825 1 696 . 1 1 59 59 VAL HG22 H 1 0.704 0.05 . 2 . . . A 62 VAL HG22 . 18825 1 697 . 1 1 59 59 VAL HG23 H 1 0.704 0.05 . 2 . . . A 62 VAL HG23 . 18825 1 698 . 1 1 59 59 VAL C C 13 175.624 0.50 . 1 . . . A 62 VAL C . 18825 1 699 . 1 1 59 59 VAL CA C 13 60.751 0.50 . 1 . . . A 62 VAL CA . 18825 1 700 . 1 1 59 59 VAL CB C 13 33.419 0.50 . 1 . . . A 62 VAL CB . 18825 1 701 . 1 1 59 59 VAL CG1 C 13 20.720 0.50 . 2 . . . A 62 VAL CG1 . 18825 1 702 . 1 1 59 59 VAL CG2 C 13 21.687 0.50 . 2 . . . A 62 VAL CG2 . 18825 1 703 . 1 1 59 59 VAL N N 15 118.225 0.10 . 1 . . . A 62 VAL N . 18825 1 704 . 1 1 60 60 ASN H H 1 9.930 0.05 . 1 . . . A 63 ASN H . 18825 1 705 . 1 1 60 60 ASN HA H 1 4.239 0.05 . 1 . . . A 63 ASN HA . 18825 1 706 . 1 1 60 60 ASN HB2 H 1 2.702 0.05 . 2 . . . A 63 ASN HB2 . 18825 1 707 . 1 1 60 60 ASN HB3 H 1 3.153 0.05 . 2 . . . A 63 ASN HB3 . 18825 1 708 . 1 1 60 60 ASN HD21 H 1 6.695 0.05 . 2 . . . A 63 ASN HD21 . 18825 1 709 . 1 1 60 60 ASN HD22 H 1 7.786 0.05 . 2 . . . A 63 ASN HD22 . 18825 1 710 . 1 1 60 60 ASN C C 13 175.094 0.50 . 1 . . . A 63 ASN C . 18825 1 711 . 1 1 60 60 ASN CA C 13 53.686 0.50 . 1 . . . A 63 ASN CA . 18825 1 712 . 1 1 60 60 ASN CB C 13 36.478 0.50 . 1 . . . A 63 ASN CB . 18825 1 713 . 1 1 60 60 ASN N N 15 129.457 0.10 . 1 . . . A 63 ASN N . 18825 1 714 . 1 1 60 60 ASN ND2 N 15 110.050 0.10 . 1 . . . A 63 ASN ND2 . 18825 1 715 . 1 1 61 61 GLY H H 1 9.290 0.05 . 1 . . . A 64 GLY H . 18825 1 716 . 1 1 61 61 GLY HA2 H 1 3.684 0.05 . 2 . . . A 64 GLY HA2 . 18825 1 717 . 1 1 61 61 GLY HA3 H 1 3.936 0.05 . 2 . . . A 64 GLY HA3 . 18825 1 718 . 1 1 61 61 GLY C C 13 173.319 0.50 . 1 . . . A 64 GLY C . 18825 1 719 . 1 1 61 61 GLY CA C 13 45.111 0.50 . 1 . . . A 64 GLY CA . 18825 1 720 . 1 1 61 61 GLY N N 15 103.246 0.10 . 1 . . . A 64 GLY N . 18825 1 721 . 1 1 62 62 GLU H H 1 7.565 0.05 . 1 . . . A 65 GLU H . 18825 1 722 . 1 1 62 62 GLU HA H 1 4.544 0.05 . 1 . . . A 65 GLU HA . 18825 1 723 . 1 1 62 62 GLU HB2 H 1 1.802 0.05 . 2 . . . A 65 GLU HB2 . 18825 1 724 . 1 1 62 62 GLU HB3 H 1 1.802 0.05 . 2 . . . A 65 GLU HB3 . 18825 1 725 . 1 1 62 62 GLU HG2 H 1 2.063 0.05 . 2 . . . A 65 GLU HG2 . 18825 1 726 . 1 1 62 62 GLU HG3 H 1 2.174 0.05 . 2 . . . A 65 GLU HG3 . 18825 1 727 . 1 1 62 62 GLU C C 13 175.098 0.50 . 1 . . . A 65 GLU C . 18825 1 728 . 1 1 62 62 GLU CA C 13 53.736 0.50 . 1 . . . A 65 GLU CA . 18825 1 729 . 1 1 62 62 GLU CB C 13 30.595 0.50 . 1 . . . A 65 GLU CB . 18825 1 730 . 1 1 62 62 GLU CG C 13 35.663 0.50 . 1 . . . A 65 GLU CG . 18825 1 731 . 1 1 62 62 GLU N N 15 119.126 0.10 . 1 . . . A 65 GLU N . 18825 1 732 . 1 1 63 63 ASN H H 1 8.960 0.05 . 1 . . . A 66 ASN H . 18825 1 733 . 1 1 63 63 ASN HA H 1 4.731 0.05 . 1 . . . A 66 ASN HA . 18825 1 734 . 1 1 63 63 ASN HB2 H 1 2.653 0.05 . 2 . . . A 66 ASN HB2 . 18825 1 735 . 1 1 63 63 ASN HB3 H 1 2.650 0.05 . 2 . . . A 66 ASN HB3 . 18825 1 736 . 1 1 63 63 ASN HD21 H 1 8.714 0.05 . 2 . . . A 66 ASN HD21 . 18825 1 737 . 1 1 63 63 ASN C C 13 176.386 0.50 . 1 . . . A 66 ASN C . 18825 1 738 . 1 1 63 63 ASN CA C 13 55.267 0.50 . 1 . . . A 66 ASN CA . 18825 1 739 . 1 1 63 63 ASN CB C 13 39.512 0.50 . 1 . . . A 66 ASN CB . 18825 1 740 . 1 1 63 63 ASN N N 15 123.554 0.10 . 1 . . . A 66 ASN N . 18825 1 741 . 1 1 63 63 ASN ND2 N 15 120.450 0.10 . 1 . . . A 66 ASN ND2 . 18825 1 742 . 1 1 64 64 VAL H H 1 8.240 0.05 . 1 . . . A 67 VAL H . 18825 1 743 . 1 1 64 64 VAL HA H 1 4.567 0.05 . 1 . . . A 67 VAL HA . 18825 1 744 . 1 1 64 64 VAL HB H 1 2.578 0.05 . 1 . . . A 67 VAL HB . 18825 1 745 . 1 1 64 64 VAL HG11 H 1 0.281 0.05 . 2 . . . A 67 VAL HG11 . 18825 1 746 . 1 1 64 64 VAL HG12 H 1 0.281 0.05 . 2 . . . A 67 VAL HG12 . 18825 1 747 . 1 1 64 64 VAL HG13 H 1 0.281 0.05 . 2 . . . A 67 VAL HG13 . 18825 1 748 . 1 1 64 64 VAL HG21 H 1 0.713 0.05 . 2 . . . A 67 VAL HG21 . 18825 1 749 . 1 1 64 64 VAL HG22 H 1 0.713 0.05 . 2 . . . A 67 VAL HG22 . 18825 1 750 . 1 1 64 64 VAL HG23 H 1 0.713 0.05 . 2 . . . A 67 VAL HG23 . 18825 1 751 . 1 1 64 64 VAL C C 13 177.518 0.50 . 1 . . . A 67 VAL C . 18825 1 752 . 1 1 64 64 VAL CA C 13 59.860 0.50 . 1 . . . A 67 VAL CA . 18825 1 753 . 1 1 64 64 VAL CB C 13 31.309 0.50 . 1 . . . A 67 VAL CB . 18825 1 754 . 1 1 64 64 VAL CG1 C 13 17.976 0.50 . 2 . . . A 67 VAL CG1 . 18825 1 755 . 1 1 64 64 VAL CG2 C 13 20.696 0.50 . 2 . . . A 67 VAL CG2 . 18825 1 756 . 1 1 64 64 VAL N N 15 117.681 0.10 . 1 . . . A 67 VAL N . 18825 1 757 . 1 1 65 65 GLU H H 1 8.579 0.05 . 1 . . . A 68 GLU H . 18825 1 758 . 1 1 65 65 GLU HA H 1 3.924 0.05 . 1 . . . A 68 GLU HA . 18825 1 759 . 1 1 65 65 GLU HB2 H 1 2.107 0.05 . 2 . . . A 68 GLU HB2 . 18825 1 760 . 1 1 65 65 GLU HB3 H 1 2.281 0.05 . 2 . . . A 68 GLU HB3 . 18825 1 761 . 1 1 65 65 GLU HG2 H 1 2.747 0.05 . 2 . . . A 68 GLU HG2 . 18825 1 762 . 1 1 65 65 GLU HG3 H 1 2.094 0.05 . 2 . . . A 68 GLU HG3 . 18825 1 763 . 1 1 65 65 GLU C C 13 177.582 0.50 . 1 . . . A 68 GLU C . 18825 1 764 . 1 1 65 65 GLU CA C 13 60.042 0.50 . 1 . . . A 68 GLU CA . 18825 1 765 . 1 1 65 65 GLU CB C 13 30.867 0.50 . 1 . . . A 68 GLU CB . 18825 1 766 . 1 1 65 65 GLU CG C 13 39.988 0.50 . 1 . . . A 68 GLU CG . 18825 1 767 . 1 1 65 65 GLU N N 15 122.692 0.10 . 1 . . . A 68 GLU N . 18825 1 768 . 1 1 66 66 LYS H H 1 8.743 0.05 . 1 . . . A 69 LYS H . 18825 1 769 . 1 1 66 66 LYS HA H 1 4.518 0.05 . 1 . . . A 69 LYS HA . 18825 1 770 . 1 1 66 66 LYS HB2 H 1 1.561 0.05 . 2 . . . A 69 LYS HB2 . 18825 1 771 . 1 1 66 66 LYS HB3 H 1 2.015 0.05 . 2 . . . A 69 LYS HB3 . 18825 1 772 . 1 1 66 66 LYS HG2 H 1 1.249 0.05 . 2 . . . A 69 LYS HG2 . 18825 1 773 . 1 1 66 66 LYS HG3 H 1 1.347 0.05 . 2 . . . A 69 LYS HG3 . 18825 1 774 . 1 1 66 66 LYS HD2 H 1 1.591 0.05 . 2 . . . A 69 LYS HD2 . 18825 1 775 . 1 1 66 66 LYS HD3 H 1 1.544 0.05 . 2 . . . A 69 LYS HD3 . 18825 1 776 . 1 1 66 66 LYS C C 13 176.553 0.50 . 1 . . . A 69 LYS C . 18825 1 777 . 1 1 66 66 LYS CA C 13 54.763 0.50 . 1 . . . A 69 LYS CA . 18825 1 778 . 1 1 66 66 LYS CB C 13 31.805 0.50 . 1 . . . A 69 LYS CB . 18825 1 779 . 1 1 66 66 LYS CG C 13 24.753 0.50 . 1 . . . A 69 LYS CG . 18825 1 780 . 1 1 66 66 LYS CD C 13 28.800 0.50 . 1 . . . A 69 LYS CD . 18825 1 781 . 1 1 66 66 LYS CE C 13 42.008 0.50 . 1 . . . A 69 LYS CE . 18825 1 782 . 1 1 66 66 LYS N N 15 114.612 0.10 . 1 . . . A 69 LYS N . 18825 1 783 . 1 1 67 67 GLU H H 1 6.975 0.05 . 1 . . . A 70 GLU H . 18825 1 784 . 1 1 67 67 GLU HA H 1 4.366 0.05 . 1 . . . A 70 GLU HA . 18825 1 785 . 1 1 67 67 GLU HB2 H 1 1.688 0.05 . 2 . . . A 70 GLU HB2 . 18825 1 786 . 1 1 67 67 GLU HB3 H 1 2.125 0.05 . 2 . . . A 70 GLU HB3 . 18825 1 787 . 1 1 67 67 GLU HG2 H 1 1.996 0.05 . 2 . . . A 70 GLU HG2 . 18825 1 788 . 1 1 67 67 GLU HG3 H 1 2.291 0.05 . 2 . . . A 70 GLU HG3 . 18825 1 789 . 1 1 67 67 GLU C C 13 176.404 0.50 . 1 . . . A 70 GLU C . 18825 1 790 . 1 1 67 67 GLU CA C 13 56.249 0.50 . 1 . . . A 70 GLU CA . 18825 1 791 . 1 1 67 67 GLU CB C 13 31.382 0.50 . 1 . . . A 70 GLU CB . 18825 1 792 . 1 1 67 67 GLU CG C 13 37.448 0.50 . 1 . . . A 70 GLU CG . 18825 1 793 . 1 1 67 67 GLU N N 15 119.969 0.10 . 1 . . . A 70 GLU N . 18825 1 794 . 1 1 68 68 THR H H 1 8.671 0.05 . 1 . . . A 71 THR H . 18825 1 795 . 1 1 68 68 THR HA H 1 4.282 0.05 . 1 . . . A 71 THR HA . 18825 1 796 . 1 1 68 68 THR HB H 1 4.731 0.05 . 1 . . . A 71 THR HB . 18825 1 797 . 1 1 68 68 THR HG1 H 1 5.528 0.05 . 1 . . . A 71 THR HG1 . 18825 1 798 . 1 1 68 68 THR HG21 H 1 1.256 0.05 . 1 . . . A 71 THR HG21 . 18825 1 799 . 1 1 68 68 THR HG22 H 1 1.256 0.05 . 1 . . . A 71 THR HG22 . 18825 1 800 . 1 1 68 68 THR HG23 H 1 1.256 0.05 . 1 . . . A 71 THR HG23 . 18825 1 801 . 1 1 68 68 THR C C 13 174.855 0.50 . 1 . . . A 71 THR C . 18825 1 802 . 1 1 68 68 THR CA C 13 60.333 0.50 . 1 . . . A 71 THR CA . 18825 1 803 . 1 1 68 68 THR CB C 13 71.349 0.50 . 1 . . . A 71 THR CB . 18825 1 804 . 1 1 68 68 THR CG2 C 13 21.601 0.50 . 1 . . . A 71 THR CG2 . 18825 1 805 . 1 1 68 68 THR N N 15 110.273 0.10 . 1 . . . A 71 THR N . 18825 1 806 . 1 1 69 69 HIS H H 1 8.816 0.05 . 1 . . . A 72 HIS H . 18825 1 807 . 1 1 69 69 HIS HA H 1 3.553 0.05 . 1 . . . A 72 HIS HA . 18825 1 808 . 1 1 69 69 HIS HB2 H 1 3.000 0.05 . 2 . . . A 72 HIS HB2 . 18825 1 809 . 1 1 69 69 HIS HB3 H 1 3.061 0.05 . 2 . . . A 72 HIS HB3 . 18825 1 810 . 1 1 69 69 HIS HD2 H 1 6.453 0.05 . 1 . . . A 72 HIS HD2 . 18825 1 811 . 1 1 69 69 HIS HE1 H 1 7.468 0.05 . 1 . . . A 72 HIS HE1 . 18825 1 812 . 1 1 69 69 HIS C C 13 176.331 0.50 . 1 . . . A 72 HIS C . 18825 1 813 . 1 1 69 69 HIS CA C 13 60.813 0.50 . 1 . . . A 72 HIS CA . 18825 1 814 . 1 1 69 69 HIS CB C 13 28.810 0.50 . 1 . . . A 72 HIS CB . 18825 1 815 . 1 1 69 69 HIS CE1 C 13 137.702 0.50 . 1 . . . A 72 HIS CE1 . 18825 1 816 . 1 1 69 69 HIS N N 15 119.968 0.10 . 1 . . . A 72 HIS N . 18825 1 817 . 1 1 70 70 GLN H H 1 8.626 0.05 . 1 . . . A 73 GLN H . 18825 1 818 . 1 1 70 70 GLN HA H 1 3.821 0.05 . 1 . . . A 73 GLN HA . 18825 1 819 . 1 1 70 70 GLN HB2 H 1 1.935 0.05 . 2 . . . A 73 GLN HB2 . 18825 1 820 . 1 1 70 70 GLN HB3 H 1 2.048 0.05 . 2 . . . A 73 GLN HB3 . 18825 1 821 . 1 1 70 70 GLN HG2 H 1 2.488 0.05 . 2 . . . A 73 GLN HG2 . 18825 1 822 . 1 1 70 70 GLN HG3 H 1 2.424 0.05 . 2 . . . A 73 GLN HG3 . 18825 1 823 . 1 1 70 70 GLN HE21 H 1 6.750 0.05 . 2 . . . A 73 GLN HE21 . 18825 1 824 . 1 1 70 70 GLN HE22 H 1 7.248 0.05 . 2 . . . A 73 GLN HE22 . 18825 1 825 . 1 1 70 70 GLN C C 13 179.103 0.50 . 1 . . . A 73 GLN C . 18825 1 826 . 1 1 70 70 GLN CA C 13 58.770 0.50 . 1 . . . A 73 GLN CA . 18825 1 827 . 1 1 70 70 GLN CB C 13 27.836 0.50 . 1 . . . A 73 GLN CB . 18825 1 828 . 1 1 70 70 GLN CG C 13 33.864 0.50 . 1 . . . A 73 GLN CG . 18825 1 829 . 1 1 70 70 GLN N N 15 114.321 0.10 . 1 . . . A 73 GLN N . 18825 1 830 . 1 1 70 70 GLN NE2 N 15 112.189 0.10 . 1 . . . A 73 GLN NE2 . 18825 1 831 . 1 1 71 71 GLN H H 1 7.695 0.05 . 1 . . . A 74 GLN H . 18825 1 832 . 1 1 71 71 GLN HA H 1 3.899 0.05 . 1 . . . A 74 GLN HA . 18825 1 833 . 1 1 71 71 GLN HB2 H 1 1.955 0.05 . 2 . . . A 74 GLN HB2 . 18825 1 834 . 1 1 71 71 GLN HG2 H 1 2.344 0.05 . 2 . . . A 74 GLN HG2 . 18825 1 835 . 1 1 71 71 GLN HG3 H 1 2.306 0.05 . 2 . . . A 74 GLN HG3 . 18825 1 836 . 1 1 71 71 GLN HE21 H 1 6.726 0.05 . 2 . . . A 74 GLN HE21 . 18825 1 837 . 1 1 71 71 GLN HE22 H 1 7.386 0.05 . 2 . . . A 74 GLN HE22 . 18825 1 838 . 1 1 71 71 GLN C C 13 179.352 0.50 . 1 . . . A 74 GLN C . 18825 1 839 . 1 1 71 71 GLN CA C 13 58.766 0.50 . 1 . . . A 74 GLN CA . 18825 1 840 . 1 1 71 71 GLN CB C 13 28.701 0.50 . 1 . . . A 74 GLN CB . 18825 1 841 . 1 1 71 71 GLN CG C 13 34.899 0.50 . 1 . . . A 74 GLN CG . 18825 1 842 . 1 1 71 71 GLN N N 15 120.108 0.10 . 1 . . . A 74 GLN N . 18825 1 843 . 1 1 71 71 GLN NE2 N 15 111.209 0.10 . 1 . . . A 74 GLN NE2 . 18825 1 844 . 1 1 72 72 VAL H H 1 8.219 0.05 . 1 . . . A 75 VAL H . 18825 1 845 . 1 1 72 72 VAL HA H 1 3.282 0.05 . 1 . . . A 75 VAL HA . 18825 1 846 . 1 1 72 72 VAL HB H 1 1.803 0.05 . 1 . . . A 75 VAL HB . 18825 1 847 . 1 1 72 72 VAL HG11 H 1 0.630 0.05 . 2 . . . A 75 VAL HG11 . 18825 1 848 . 1 1 72 72 VAL HG12 H 1 0.630 0.05 . 2 . . . A 75 VAL HG12 . 18825 1 849 . 1 1 72 72 VAL HG13 H 1 0.630 0.05 . 2 . . . A 75 VAL HG13 . 18825 1 850 . 1 1 72 72 VAL HG21 H 1 0.955 0.05 . 2 . . . A 75 VAL HG21 . 18825 1 851 . 1 1 72 72 VAL HG22 H 1 0.955 0.05 . 2 . . . A 75 VAL HG22 . 18825 1 852 . 1 1 72 72 VAL HG23 H 1 0.955 0.05 . 2 . . . A 75 VAL HG23 . 18825 1 853 . 1 1 72 72 VAL C C 13 177.727 0.50 . 1 . . . A 75 VAL C . 18825 1 854 . 1 1 72 72 VAL CA C 13 67.876 0.50 . 1 . . . A 75 VAL CA . 18825 1 855 . 1 1 72 72 VAL CB C 13 30.827 0.50 . 1 . . . A 75 VAL CB . 18825 1 856 . 1 1 72 72 VAL CG1 C 13 23.214 0.50 . 2 . . . A 75 VAL CG1 . 18825 1 857 . 1 1 72 72 VAL CG2 C 13 23.719 0.50 . 2 . . . A 75 VAL CG2 . 18825 1 858 . 1 1 72 72 VAL N N 15 121.568 0.10 . 1 . . . A 75 VAL N . 18825 1 859 . 1 1 73 73 VAL H H 1 8.412 0.05 . 1 . . . A 76 VAL H . 18825 1 860 . 1 1 73 73 VAL HA H 1 3.118 0.05 . 1 . . . A 76 VAL HA . 18825 1 861 . 1 1 73 73 VAL HB H 1 1.876 0.05 . 1 . . . A 76 VAL HB . 18825 1 862 . 1 1 73 73 VAL HG11 H 1 0.447 0.05 . 2 . . . A 76 VAL HG11 . 18825 1 863 . 1 1 73 73 VAL HG12 H 1 0.447 0.05 . 2 . . . A 76 VAL HG12 . 18825 1 864 . 1 1 73 73 VAL HG13 H 1 0.447 0.05 . 2 . . . A 76 VAL HG13 . 18825 1 865 . 1 1 73 73 VAL HG21 H 1 0.766 0.05 . 2 . . . A 76 VAL HG21 . 18825 1 866 . 1 1 73 73 VAL HG22 H 1 0.766 0.05 . 2 . . . A 76 VAL HG22 . 18825 1 867 . 1 1 73 73 VAL HG23 H 1 0.766 0.05 . 2 . . . A 76 VAL HG23 . 18825 1 868 . 1 1 73 73 VAL C C 13 178.072 0.50 . 1 . . . A 76 VAL C . 18825 1 869 . 1 1 73 73 VAL CA C 13 67.384 0.50 . 1 . . . A 76 VAL CA . 18825 1 870 . 1 1 73 73 VAL CB C 13 31.370 0.50 . 1 . . . A 76 VAL CB . 18825 1 871 . 1 1 73 73 VAL CG1 C 13 23.529 0.50 . 2 . . . A 76 VAL CG1 . 18825 1 872 . 1 1 73 73 VAL CG2 C 13 21.177 0.50 . 2 . . . A 76 VAL CG2 . 18825 1 873 . 1 1 73 73 VAL N N 15 119.965 0.10 . 1 . . . A 76 VAL N . 18825 1 874 . 1 1 74 74 SER H H 1 8.079 0.05 . 1 . . . A 77 SER H . 18825 1 875 . 1 1 74 74 SER HA H 1 3.993 0.05 . 1 . . . A 77 SER HA . 18825 1 876 . 1 1 74 74 SER HB2 H 1 3.842 0.05 . 2 . . . A 77 SER HB2 . 18825 1 877 . 1 1 74 74 SER HB3 H 1 3.900 0.05 . 2 . . . A 77 SER HB3 . 18825 1 878 . 1 1 74 74 SER C C 13 177.038 0.50 . 1 . . . A 77 SER C . 18825 1 879 . 1 1 74 74 SER CA C 13 62.262 0.50 . 1 . . . A 77 SER CA . 18825 1 880 . 1 1 74 74 SER CB C 13 62.275 0.50 . 1 . . . A 77 SER CB . 18825 1 881 . 1 1 74 74 SER N N 15 113.752 0.10 . 1 . . . A 77 SER N . 18825 1 882 . 1 1 75 75 ARG H H 1 7.671 0.05 . 1 . . . A 78 ARG H . 18825 1 883 . 1 1 75 75 ARG HA H 1 3.965 0.05 . 1 . . . A 78 ARG HA . 18825 1 884 . 1 1 75 75 ARG HB2 H 1 1.617 0.05 . 2 . . . A 78 ARG HB2 . 18825 1 885 . 1 1 75 75 ARG HB3 H 1 1.879 0.05 . 2 . . . A 78 ARG HB3 . 18825 1 886 . 1 1 75 75 ARG HG2 H 1 1.487 0.05 . 2 . . . A 78 ARG HG2 . 18825 1 887 . 1 1 75 75 ARG HG3 H 1 1.783 0.05 . 2 . . . A 78 ARG HG3 . 18825 1 888 . 1 1 75 75 ARG HD2 H 1 2.617 0.05 . 2 . . . A 78 ARG HD2 . 18825 1 889 . 1 1 75 75 ARG HD3 H 1 2.926 0.05 . 2 . . . A 78 ARG HD3 . 18825 1 890 . 1 1 75 75 ARG HE H 1 9.578 0.05 . 1 . . . A 78 ARG HE . 18825 1 891 . 1 1 75 75 ARG HH11 H 1 6.785 0.05 . 2 . . . A 78 ARG HH11 . 18825 1 892 . 1 1 75 75 ARG HH12 H 1 6.785 0.05 . 2 . . . A 78 ARG HH12 . 18825 1 893 . 1 1 75 75 ARG HH21 H 1 6.443 0.05 . 2 . . . A 78 ARG HH21 . 18825 1 894 . 1 1 75 75 ARG HH22 H 1 6.443 0.05 . 2 . . . A 78 ARG HH22 . 18825 1 895 . 1 1 75 75 ARG C C 13 179.352 0.50 . 1 . . . A 78 ARG C . 18825 1 896 . 1 1 75 75 ARG CA C 13 59.252 0.50 . 1 . . . A 78 ARG CA . 18825 1 897 . 1 1 75 75 ARG CB C 13 30.790 0.50 . 1 . . . A 78 ARG CB . 18825 1 898 . 1 1 75 75 ARG CG C 13 27.789 0.50 . 1 . . . A 78 ARG CG . 18825 1 899 . 1 1 75 75 ARG CD C 13 43.540 0.50 . 1 . . . A 78 ARG CD . 18825 1 900 . 1 1 75 75 ARG N N 15 120.883 0.10 . 1 . . . A 78 ARG N . 18825 1 901 . 1 1 75 75 ARG NE N 15 85.02 0.10 . 1 . . . A 78 ARG NE . 18825 1 902 . 1 1 76 76 ILE H H 1 7.947 0.05 . 1 . . . A 79 ILE H . 18825 1 903 . 1 1 76 76 ILE HA H 1 3.470 0.05 . 1 . . . A 79 ILE HA . 18825 1 904 . 1 1 76 76 ILE HB H 1 1.813 0.05 . 1 . . . A 79 ILE HB . 18825 1 905 . 1 1 76 76 ILE HG12 H 1 0.688 0.05 . 2 . . . A 79 ILE HG12 . 18825 1 906 . 1 1 76 76 ILE HG13 H 1 1.850 0.05 . 2 . . . A 79 ILE HG13 . 18825 1 907 . 1 1 76 76 ILE HG21 H 1 0.839 0.05 . 1 . . . A 79 ILE HG21 . 18825 1 908 . 1 1 76 76 ILE HG22 H 1 0.839 0.05 . 1 . . . A 79 ILE HG22 . 18825 1 909 . 1 1 76 76 ILE HG23 H 1 0.839 0.05 . 1 . . . A 79 ILE HG23 . 18825 1 910 . 1 1 76 76 ILE HD11 H 1 0.683 0.05 . 1 . . . A 79 ILE HD11 . 18825 1 911 . 1 1 76 76 ILE HD12 H 1 0.683 0.05 . 1 . . . A 79 ILE HD12 . 18825 1 912 . 1 1 76 76 ILE HD13 H 1 0.683 0.05 . 1 . . . A 79 ILE HD13 . 18825 1 913 . 1 1 76 76 ILE C C 13 178.670 0.50 . 1 . . . A 79 ILE C . 18825 1 914 . 1 1 76 76 ILE CA C 13 65.299 0.50 . 1 . . . A 79 ILE CA . 18825 1 915 . 1 1 76 76 ILE CB C 13 37.464 0.50 . 1 . . . A 79 ILE CB . 18825 1 916 . 1 1 76 76 ILE CG1 C 13 29.822 0.50 . 1 . . . A 79 ILE CG1 . 18825 1 917 . 1 1 76 76 ILE CG2 C 13 17.677 0.50 . 1 . . . A 79 ILE CG2 . 18825 1 918 . 1 1 76 76 ILE CD1 C 13 13.627 0.50 . 1 . . . A 79 ILE CD1 . 18825 1 919 . 1 1 76 76 ILE N N 15 118.977 0.10 . 1 . . . A 79 ILE N . 18825 1 920 . 1 1 77 77 ARG H H 1 8.626 0.05 . 1 . . . A 80 ARG H . 18825 1 921 . 1 1 77 77 ARG HA H 1 4.078 0.05 . 1 . . . A 80 ARG HA . 18825 1 922 . 1 1 77 77 ARG HB2 H 1 1.694 0.05 . 2 . . . A 80 ARG HB2 . 18825 1 923 . 1 1 77 77 ARG HB3 H 1 1.804 0.05 . 2 . . . A 80 ARG HB3 . 18825 1 924 . 1 1 77 77 ARG HG2 H 1 1.776 0.05 . 2 . . . A 80 ARG HG2 . 18825 1 925 . 1 1 77 77 ARG HG3 H 1 1.572 0.05 . 2 . . . A 80 ARG HG3 . 18825 1 926 . 1 1 77 77 ARG HD2 H 1 2.996 0.05 . 2 . . . A 80 ARG HD2 . 18825 1 927 . 1 1 77 77 ARG HD3 H 1 2.996 0.05 . 2 . . . A 80 ARG HD3 . 18825 1 928 . 1 1 77 77 ARG C C 13 177.587 0.50 . 1 . . . A 80 ARG C . 18825 1 929 . 1 1 77 77 ARG CA C 13 59.267 0.50 . 1 . . . A 80 ARG CA . 18825 1 930 . 1 1 77 77 ARG CB C 13 29.871 0.50 . 1 . . . A 80 ARG CB . 18825 1 931 . 1 1 77 77 ARG CG C 13 28.288 0.50 . 1 . . . A 80 ARG CG . 18825 1 932 . 1 1 77 77 ARG CD C 13 43.520 0.50 . 1 . . . A 80 ARG CD . 18825 1 933 . 1 1 77 77 ARG N N 15 119.197 0.10 . 1 . . . A 80 ARG N . 18825 1 934 . 1 1 78 78 ALA H H 1 7.569 0.05 . 1 . . . A 81 ALA H . 18825 1 935 . 1 1 78 78 ALA HA H 1 4.065 0.05 . 1 . . . A 81 ALA HA . 18825 1 936 . 1 1 78 78 ALA HB1 H 1 1.394 0.05 . 1 . . . A 81 ALA HB1 . 18825 1 937 . 1 1 78 78 ALA HB2 H 1 1.394 0.05 . 1 . . . A 81 ALA HB2 . 18825 1 938 . 1 1 78 78 ALA HB3 H 1 1.394 0.05 . 1 . . . A 81 ALA HB3 . 18825 1 939 . 1 1 78 78 ALA C C 13 177.945 0.50 . 1 . . . A 81 ALA C . 18825 1 940 . 1 1 78 78 ALA CA C 13 53.214 0.50 . 1 . . . A 81 ALA CA . 18825 1 941 . 1 1 78 78 ALA CB C 13 18.517 0.50 . 1 . . . A 81 ALA CB . 18825 1 942 . 1 1 78 78 ALA N N 15 119.014 0.10 . 1 . . . A 81 ALA N . 18825 1 943 . 1 1 79 79 ALA H H 1 7.115 0.05 . 1 . . . A 82 ALA H . 18825 1 944 . 1 1 79 79 ALA HA H 1 4.273 0.05 . 1 . . . A 82 ALA HA . 18825 1 945 . 1 1 79 79 ALA HB1 H 1 1.519 0.05 . 1 . . . A 82 ALA HB1 . 18825 1 946 . 1 1 79 79 ALA HB2 H 1 1.519 0.05 . 1 . . . A 82 ALA HB2 . 18825 1 947 . 1 1 79 79 ALA HB3 H 1 1.519 0.05 . 1 . . . A 82 ALA HB3 . 18825 1 948 . 1 1 79 79 ALA C C 13 177.427 0.50 . 1 . . . A 82 ALA C . 18825 1 949 . 1 1 79 79 ALA CA C 13 51.901 0.50 . 1 . . . A 82 ALA CA . 18825 1 950 . 1 1 79 79 ALA CB C 13 18.111 0.50 . 1 . . . A 82 ALA CB . 18825 1 951 . 1 1 79 79 ALA N N 15 120.835 0.10 . 1 . . . A 82 ALA N . 18825 1 952 . 1 1 80 80 LEU H H 1 8.294 0.05 . 1 . . . A 83 LEU H . 18825 1 953 . 1 1 80 80 LEU HA H 1 4.057 0.05 . 1 . . . A 83 LEU HA . 18825 1 954 . 1 1 80 80 LEU HB2 H 1 1.470 0.05 . 2 . . . A 83 LEU HB2 . 18825 1 955 . 1 1 80 80 LEU HB3 H 1 1.785 0.05 . 2 . . . A 83 LEU HB3 . 18825 1 956 . 1 1 80 80 LEU HG H 1 1.603 0.05 . 1 . . . A 83 LEU HG . 18825 1 957 . 1 1 80 80 LEU HD11 H 1 0.819 0.05 . 2 . . . A 83 LEU HD11 . 18825 1 958 . 1 1 80 80 LEU HD12 H 1 0.819 0.05 . 2 . . . A 83 LEU HD12 . 18825 1 959 . 1 1 80 80 LEU HD13 H 1 0.819 0.05 . 2 . . . A 83 LEU HD13 . 18825 1 960 . 1 1 80 80 LEU HD21 H 1 0.877 0.05 . 2 . . . A 83 LEU HD21 . 18825 1 961 . 1 1 80 80 LEU HD22 H 1 0.877 0.05 . 2 . . . A 83 LEU HD22 . 18825 1 962 . 1 1 80 80 LEU HD23 H 1 0.877 0.05 . 2 . . . A 83 LEU HD23 . 18825 1 963 . 1 1 80 80 LEU C C 13 177.409 0.50 . 1 . . . A 83 LEU C . 18825 1 964 . 1 1 80 80 LEU CA C 13 56.741 0.50 . 1 . . . A 83 LEU CA . 18825 1 965 . 1 1 80 80 LEU CB C 13 40.740 0.50 . 1 . . . A 83 LEU CB . 18825 1 966 . 1 1 80 80 LEU CG C 13 26.740 0.50 . 1 . . . A 83 LEU CG . 18825 1 967 . 1 1 80 80 LEU CD1 C 13 23.138 0.50 . 2 . . . A 83 LEU CD1 . 18825 1 968 . 1 1 80 80 LEU CD2 C 13 24.458 0.50 . 2 . . . A 83 LEU CD2 . 18825 1 969 . 1 1 80 80 LEU N N 15 121.263 0.10 . 1 . . . A 83 LEU N . 18825 1 970 . 1 1 81 81 ASN H H 1 8.640 0.05 . 1 . . . A 84 ASN H . 18825 1 971 . 1 1 81 81 ASN HA H 1 4.553 0.05 . 1 . . . A 84 ASN HA . 18825 1 972 . 1 1 81 81 ASN HB2 H 1 2.854 0.05 . 2 . . . A 84 ASN HB2 . 18825 1 973 . 1 1 81 81 ASN HB3 H 1 2.855 0.05 . 2 . . . A 84 ASN HB3 . 18825 1 974 . 1 1 81 81 ASN HD21 H 1 6.948 0.05 . 2 . . . A 84 ASN HD21 . 18825 1 975 . 1 1 81 81 ASN HD22 H 1 7.639 0.05 . 2 . . . A 84 ASN HD22 . 18825 1 976 . 1 1 81 81 ASN C C 13 173.694 0.50 . 1 . . . A 84 ASN C . 18825 1 977 . 1 1 81 81 ASN CA C 13 54.743 0.50 . 1 . . . A 84 ASN CA . 18825 1 978 . 1 1 81 81 ASN CB C 13 39.481 0.50 . 1 . . . A 84 ASN CB . 18825 1 979 . 1 1 81 81 ASN N N 15 115.770 0.10 . 1 . . . A 84 ASN N . 18825 1 980 . 1 1 81 81 ASN ND2 N 15 113.808 0.10 . 1 . . . A 84 ASN ND2 . 18825 1 981 . 1 1 82 82 ALA H H 1 7.873 0.05 . 1 . . . A 85 ALA H . 18825 1 982 . 1 1 82 82 ALA HA H 1 5.087 0.05 . 1 . . . A 85 ALA HA . 18825 1 983 . 1 1 82 82 ALA HB1 H 1 1.351 0.05 . 1 . . . A 85 ALA HB1 . 18825 1 984 . 1 1 82 82 ALA HB2 H 1 1.351 0.05 . 1 . . . A 85 ALA HB2 . 18825 1 985 . 1 1 82 82 ALA HB3 H 1 1.351 0.05 . 1 . . . A 85 ALA HB3 . 18825 1 986 . 1 1 82 82 ALA C C 13 175.479 0.50 . 1 . . . A 85 ALA C . 18825 1 987 . 1 1 82 82 ALA CA C 13 52.153 0.50 . 1 . . . A 85 ALA CA . 18825 1 988 . 1 1 82 82 ALA CB C 13 21.567 0.50 . 1 . . . A 85 ALA CB . 18825 1 989 . 1 1 82 82 ALA N N 15 124.521 0.10 . 1 . . . A 85 ALA N . 18825 1 990 . 1 1 83 83 VAL H H 1 8.375 0.05 . 1 . . . A 86 VAL H . 18825 1 991 . 1 1 83 83 VAL HA H 1 4.598 0.05 . 1 . . . A 86 VAL HA . 18825 1 992 . 1 1 83 83 VAL HB H 1 1.871 0.05 . 1 . . . A 86 VAL HB . 18825 1 993 . 1 1 83 83 VAL HG11 H 1 0.327 0.05 . 2 . . . A 86 VAL HG11 . 18825 1 994 . 1 1 83 83 VAL HG12 H 1 0.327 0.05 . 2 . . . A 86 VAL HG12 . 18825 1 995 . 1 1 83 83 VAL HG13 H 1 0.327 0.05 . 2 . . . A 86 VAL HG13 . 18825 1 996 . 1 1 83 83 VAL HG21 H 1 0.724 0.05 . 2 . . . A 86 VAL HG21 . 18825 1 997 . 1 1 83 83 VAL HG22 H 1 0.724 0.05 . 2 . . . A 86 VAL HG22 . 18825 1 998 . 1 1 83 83 VAL HG23 H 1 0.724 0.05 . 2 . . . A 86 VAL HG23 . 18825 1 999 . 1 1 83 83 VAL C C 13 171.617 0.50 . 1 . . . A 86 VAL C . 18825 1 1000 . 1 1 83 83 VAL CA C 13 60.246 0.50 . 1 . . . A 86 VAL CA . 18825 1 1001 . 1 1 83 83 VAL CB C 13 34.936 0.50 . 1 . . . A 86 VAL CB . 18825 1 1002 . 1 1 83 83 VAL CG1 C 13 19.728 0.50 . 2 . . . A 86 VAL CG1 . 18825 1 1003 . 1 1 83 83 VAL CG2 C 13 22.156 0.50 . 2 . . . A 86 VAL CG2 . 18825 1 1004 . 1 1 83 83 VAL N N 15 116.035 0.10 . 1 . . . A 86 VAL N . 18825 1 1005 . 1 1 84 84 ARG H H 1 8.364 0.05 . 1 . . . A 87 ARG H . 18825 1 1006 . 1 1 84 84 ARG HA H 1 5.124 0.05 . 1 . . . A 87 ARG HA . 18825 1 1007 . 1 1 84 84 ARG HB2 H 1 1.508 0.05 . 2 . . . A 87 ARG HB2 . 18825 1 1008 . 1 1 84 84 ARG HB3 H 1 1.750 0.05 . 2 . . . A 87 ARG HB3 . 18825 1 1009 . 1 1 84 84 ARG HD2 H 1 3.037 0.05 . 2 . . . A 87 ARG HD2 . 18825 1 1010 . 1 1 84 84 ARG C C 13 175.443 0.50 . 1 . . . A 87 ARG C . 18825 1 1011 . 1 1 84 84 ARG CA C 13 53.954 0.50 . 1 . . . A 87 ARG CA . 18825 1 1012 . 1 1 84 84 ARG CB C 13 31.368 0.50 . 1 . . . A 87 ARG CB . 18825 1 1013 . 1 1 84 84 ARG CD C 13 43.516 0.50 . 1 . . . A 87 ARG CD . 18825 1 1014 . 1 1 84 84 ARG N N 15 125.113 0.10 . 1 . . . A 87 ARG N . 18825 1 1015 . 1 1 85 85 LEU H H 1 9.182 0.05 . 1 . . . A 88 LEU H . 18825 1 1016 . 1 1 85 85 LEU HA H 1 5.019 0.05 . 1 . . . A 88 LEU HA . 18825 1 1017 . 1 1 85 85 LEU HB2 H 1 0.915 0.05 . 2 . . . A 88 LEU HB2 . 18825 1 1018 . 1 1 85 85 LEU HB3 H 1 1.432 0.05 . 2 . . . A 88 LEU HB3 . 18825 1 1019 . 1 1 85 85 LEU HG H 1 1.331 0.05 . 1 . . . A 88 LEU HG . 18825 1 1020 . 1 1 85 85 LEU HD11 H 1 0.664 0.05 . 2 . . . A 88 LEU HD11 . 18825 1 1021 . 1 1 85 85 LEU HD12 H 1 0.664 0.05 . 2 . . . A 88 LEU HD12 . 18825 1 1022 . 1 1 85 85 LEU HD13 H 1 0.664 0.05 . 2 . . . A 88 LEU HD13 . 18825 1 1023 . 1 1 85 85 LEU HD21 H 1 0.267 0.05 . 2 . . . A 88 LEU HD21 . 18825 1 1024 . 1 1 85 85 LEU HD22 H 1 0.267 0.05 . 2 . . . A 88 LEU HD22 . 18825 1 1025 . 1 1 85 85 LEU HD23 H 1 0.267 0.05 . 2 . . . A 88 LEU HD23 . 18825 1 1026 . 1 1 85 85 LEU C C 13 173.992 0.50 . 1 . . . A 88 LEU C . 18825 1 1027 . 1 1 85 85 LEU CA C 13 52.189 0.50 . 1 . . . A 88 LEU CA . 18825 1 1028 . 1 1 85 85 LEU CB C 13 43.415 0.50 . 1 . . . A 88 LEU CB . 18825 1 1029 . 1 1 85 85 LEU CG C 13 26.272 0.50 . 1 . . . A 88 LEU CG . 18825 1 1030 . 1 1 85 85 LEU CD1 C 13 24.289 0.50 . 2 . . . A 88 LEU CD1 . 18825 1 1031 . 1 1 85 85 LEU CD2 C 13 26.309 0.50 . 2 . . . A 88 LEU CD2 . 18825 1 1032 . 1 1 85 85 LEU N N 15 125.068 0.10 . 1 . . . A 88 LEU N . 18825 1 1033 . 1 1 86 86 LEU H H 1 8.591 0.05 . 1 . . . A 89 LEU H . 18825 1 1034 . 1 1 86 86 LEU HA H 1 5.227 0.05 . 1 . . . A 89 LEU HA . 18825 1 1035 . 1 1 86 86 LEU HB2 H 1 1.416 0.05 . 2 . . . A 89 LEU HB2 . 18825 1 1036 . 1 1 86 86 LEU HB3 H 1 1.592 0.05 . 2 . . . A 89 LEU HB3 . 18825 1 1037 . 1 1 86 86 LEU HG H 1 1.031 0.05 . 1 . . . A 89 LEU HG . 18825 1 1038 . 1 1 86 86 LEU HD11 H 1 0.622 0.05 . 2 . . . A 89 LEU HD11 . 18825 1 1039 . 1 1 86 86 LEU HD12 H 1 0.622 0.05 . 2 . . . A 89 LEU HD12 . 18825 1 1040 . 1 1 86 86 LEU HD13 H 1 0.622 0.05 . 2 . . . A 89 LEU HD13 . 18825 1 1041 . 1 1 86 86 LEU HD21 H 1 0.472 0.05 . 2 . . . A 89 LEU HD21 . 18825 1 1042 . 1 1 86 86 LEU HD22 H 1 0.472 0.05 . 2 . . . A 89 LEU HD22 . 18825 1 1043 . 1 1 86 86 LEU HD23 H 1 0.472 0.05 . 2 . . . A 89 LEU HD23 . 18825 1 1044 . 1 1 86 86 LEU C C 13 175.769 0.50 . 1 . . . A 89 LEU C . 18825 1 1045 . 1 1 86 86 LEU CA C 13 53.724 0.50 . 1 . . . A 89 LEU CA . 18825 1 1046 . 1 1 86 86 LEU CB C 13 42.546 0.50 . 1 . . . A 89 LEU CB . 18825 1 1047 . 1 1 86 86 LEU CG C 13 27.291 0.50 . 1 . . . A 89 LEU CG . 18825 1 1048 . 1 1 86 86 LEU CD1 C 13 23.706 0.50 . 2 . . . A 89 LEU CD1 . 18825 1 1049 . 1 1 86 86 LEU CD2 C 13 25.752 0.50 . 2 . . . A 89 LEU CD2 . 18825 1 1050 . 1 1 86 86 LEU N N 15 127.397 0.10 . 1 . . . A 89 LEU N . 18825 1 1051 . 1 1 87 87 VAL H H 1 9.062 0.05 . 1 . . . A 90 VAL H . 18825 1 1052 . 1 1 87 87 VAL HA H 1 5.445 0.05 . 1 . . . A 90 VAL HA . 18825 1 1053 . 1 1 87 87 VAL HB H 1 1.763 0.05 . 1 . . . A 90 VAL HB . 18825 1 1054 . 1 1 87 87 VAL HG11 H 1 0.501 0.05 . 2 . . . A 90 VAL HG11 . 18825 1 1055 . 1 1 87 87 VAL HG12 H 1 0.501 0.05 . 2 . . . A 90 VAL HG12 . 18825 1 1056 . 1 1 87 87 VAL HG13 H 1 0.501 0.05 . 2 . . . A 90 VAL HG13 . 18825 1 1057 . 1 1 87 87 VAL HG21 H 1 0.699 0.05 . 2 . . . A 90 VAL HG21 . 18825 1 1058 . 1 1 87 87 VAL HG22 H 1 0.699 0.05 . 2 . . . A 90 VAL HG22 . 18825 1 1059 . 1 1 87 87 VAL HG23 H 1 0.699 0.05 . 2 . . . A 90 VAL HG23 . 18825 1 1060 . 1 1 87 87 VAL C C 13 174.200 0.50 . 1 . . . A 90 VAL C . 18825 1 1061 . 1 1 87 87 VAL CA C 13 58.126 0.50 . 1 . . . A 90 VAL CA . 18825 1 1062 . 1 1 87 87 VAL CB C 13 36.971 0.50 . 1 . . . A 90 VAL CB . 18825 1 1063 . 1 1 87 87 VAL CG1 C 13 21.191 0.50 . 2 . . . A 90 VAL CG1 . 18825 1 1064 . 1 1 87 87 VAL CG2 C 13 17.662 0.50 . 2 . . . A 90 VAL CG2 . 18825 1 1065 . 1 1 87 87 VAL N N 15 120.166 0.10 . 1 . . . A 90 VAL N . 18825 1 1066 . 1 1 88 88 VAL H H 1 8.121 0.05 . 1 . . . A 91 VAL H . 18825 1 1067 . 1 1 88 88 VAL HA H 1 4.794 0.05 . 1 . . . A 91 VAL HA . 18825 1 1068 . 1 1 88 88 VAL HB H 1 1.743 0.05 . 1 . . . A 91 VAL HB . 18825 1 1069 . 1 1 88 88 VAL HG11 H 1 0.761 0.05 . 2 . . . A 91 VAL HG11 . 18825 1 1070 . 1 1 88 88 VAL HG12 H 1 0.761 0.05 . 2 . . . A 91 VAL HG12 . 18825 1 1071 . 1 1 88 88 VAL HG13 H 1 0.761 0.05 . 2 . . . A 91 VAL HG13 . 18825 1 1072 . 1 1 88 88 VAL HG21 H 1 0.843 0.05 . 2 . . . A 91 VAL HG21 . 18825 1 1073 . 1 1 88 88 VAL HG22 H 1 0.843 0.05 . 2 . . . A 91 VAL HG22 . 18825 1 1074 . 1 1 88 88 VAL HG23 H 1 0.843 0.05 . 2 . . . A 91 VAL HG23 . 18825 1 1075 . 1 1 88 88 VAL C C 13 174.210 0.50 . 1 . . . A 91 VAL C . 18825 1 1076 . 1 1 88 88 VAL CA C 13 59.026 0.50 . 1 . . . A 91 VAL CA . 18825 1 1077 . 1 1 88 88 VAL CB C 13 35.509 0.50 . 1 . . . A 91 VAL CB . 18825 1 1078 . 1 1 88 88 VAL CG1 C 13 20.692 0.50 . 2 . . . A 91 VAL CG1 . 18825 1 1079 . 1 1 88 88 VAL CG2 C 13 19.693 0.50 . 2 . . . A 91 VAL CG2 . 18825 1 1080 . 1 1 88 88 VAL N N 15 111.939 0.10 . 1 . . . A 91 VAL N . 18825 1 1081 . 1 1 89 89 ASP H H 1 7.857 0.05 . 1 . . . A 92 ASP H . 18825 1 1082 . 1 1 89 89 ASP HA H 1 4.994 0.05 . 1 . . . A 92 ASP HA . 18825 1 1083 . 1 1 89 89 ASP HB2 H 1 2.403 0.05 . 2 . . . A 92 ASP HB2 . 18825 1 1084 . 1 1 89 89 ASP HB3 H 1 3.044 0.05 . 2 . . . A 92 ASP HB3 . 18825 1 1085 . 1 1 89 89 ASP CA C 13 53.200 0.50 . 1 . . . A 92 ASP CA . 18825 1 1086 . 1 1 89 89 ASP CB C 13 39.975 0.50 . 1 . . . A 92 ASP CB . 18825 1 1087 . 1 1 89 89 ASP N N 15 126.604 0.10 . 1 . . . A 92 ASP N . 18825 1 1088 . 1 1 90 90 PRO HA H 1 4.437 0.05 . 1 . . . A 93 PRO HA . 18825 1 1089 . 1 1 90 90 PRO HB2 H 1 1.966 0.05 . 2 . . . A 93 PRO HB2 . 18825 1 1090 . 1 1 90 90 PRO HB3 H 1 2.432 0.05 . 2 . . . A 93 PRO HB3 . 18825 1 1091 . 1 1 90 90 PRO HG2 H 1 2.167 0.05 . 2 . . . A 93 PRO HG2 . 18825 1 1092 . 1 1 90 90 PRO HG3 H 1 2.120 0.05 . 2 . . . A 93 PRO HG3 . 18825 1 1093 . 1 1 90 90 PRO HD2 H 1 3.830 0.05 . 2 . . . A 93 PRO HD2 . 18825 1 1094 . 1 1 90 90 PRO HD3 H 1 3.895 0.05 . 2 . . . A 93 PRO HD3 . 18825 1 1095 . 1 1 90 90 PRO C C 13 179.468 0.50 . 1 . . . A 93 PRO C . 18825 1 1096 . 1 1 90 90 PRO CA C 13 66.369 0.50 . 1 . . . A 93 PRO CA . 18825 1 1097 . 1 1 90 90 PRO CB C 13 32.372 0.50 . 1 . . . A 93 PRO CB . 18825 1 1098 . 1 1 90 90 PRO CG C 13 27.795 0.50 . 1 . . . A 93 PRO CG . 18825 1 1099 . 1 1 90 90 PRO CD C 13 50.628 0.50 . 1 . . . A 93 PRO CD . 18825 1 1100 . 1 1 91 91 GLU H H 1 8.185 0.05 . 1 . . . A 94 GLU H . 18825 1 1101 . 1 1 91 91 GLU HA H 1 4.079 0.05 . 1 . . . A 94 GLU HA . 18825 1 1102 . 1 1 91 91 GLU HB2 H 1 2.026 0.05 . 2 . . . A 94 GLU HB2 . 18825 1 1103 . 1 1 91 91 GLU HB3 H 1 2.026 0.05 . 2 . . . A 94 GLU HB3 . 18825 1 1104 . 1 1 91 91 GLU HG2 H 1 2.217 0.05 . 2 . . . A 94 GLU HG2 . 18825 1 1105 . 1 1 91 91 GLU HG3 H 1 2.217 0.05 . 2 . . . A 94 GLU HG3 . 18825 1 1106 . 1 1 91 91 GLU C C 13 179.450 0.50 . 1 . . . A 94 GLU C . 18825 1 1107 . 1 1 91 91 GLU CA C 13 59.302 0.50 . 1 . . . A 94 GLU CA . 18825 1 1108 . 1 1 91 91 GLU CB C 13 28.833 0.50 . 1 . . . A 94 GLU CB . 18825 1 1109 . 1 1 91 91 GLU CG C 13 36.427 0.50 . 1 . . . A 94 GLU CG . 18825 1 1110 . 1 1 91 91 GLU N N 15 119.397 0.10 . 1 . . . A 94 GLU N . 18825 1 1111 . 1 1 92 92 THR H H 1 8.387 0.05 . 1 . . . A 95 THR H . 18825 1 1112 . 1 1 92 92 THR HA H 1 3.761 0.05 . 1 . . . A 95 THR HA . 18825 1 1113 . 1 1 92 92 THR HG21 H 1 0.860 0.05 . 1 . . . A 95 THR HG21 . 18825 1 1114 . 1 1 92 92 THR HG22 H 1 0.860 0.05 . 1 . . . A 95 THR HG22 . 18825 1 1115 . 1 1 92 92 THR HG23 H 1 0.860 0.05 . 1 . . . A 95 THR HG23 . 18825 1 1116 . 1 1 92 92 THR C C 13 175.931 0.50 . 1 . . . A 95 THR C . 18825 1 1117 . 1 1 92 92 THR CA C 13 65.877 0.50 . 1 . . . A 95 THR CA . 18825 1 1118 . 1 1 92 92 THR CB C 13 67.036 0.50 . 1 . . . A 95 THR CB . 18825 1 1119 . 1 1 92 92 THR CG2 C 13 21.718 0.50 . 1 . . . A 95 THR CG2 . 18825 1 1120 . 1 1 92 92 THR N N 15 120.938 0.10 . 1 . . . A 95 THR N . 18825 1 1121 . 1 1 93 93 ASP H H 1 8.462 0.05 . 1 . . . A 96 ASP H . 18825 1 1122 . 1 1 93 93 ASP HA H 1 4.262 0.05 . 1 . . . A 96 ASP HA . 18825 1 1123 . 1 1 93 93 ASP HB2 H 1 2.747 0.05 . 2 . . . A 96 ASP HB2 . 18825 1 1124 . 1 1 93 93 ASP HB3 H 1 2.747 0.05 . 2 . . . A 96 ASP HB3 . 18825 1 1125 . 1 1 93 93 ASP C C 13 178.452 0.50 . 1 . . . A 96 ASP C . 18825 1 1126 . 1 1 93 93 ASP CA C 13 56.244 0.50 . 1 . . . A 96 ASP CA . 18825 1 1127 . 1 1 93 93 ASP CB C 13 41.033 0.50 . 1 . . . A 96 ASP CB . 18825 1 1128 . 1 1 93 93 ASP N N 15 120.544 0.10 . 1 . . . A 96 ASP N . 18825 1 1129 . 1 1 94 94 GLU H H 1 7.725 0.05 . 1 . . . A 97 GLU H . 18825 1 1130 . 1 1 94 94 GLU HA H 1 3.894 0.05 . 1 . . . A 97 GLU HA . 18825 1 1131 . 1 1 94 94 GLU HB2 H 1 2.046 0.05 . 2 . . . A 97 GLU HB2 . 18825 1 1132 . 1 1 94 94 GLU HB3 H 1 2.077 0.05 . 2 . . . A 97 GLU HB3 . 18825 1 1133 . 1 1 94 94 GLU HG2 H 1 2.313 0.05 . 2 . . . A 97 GLU HG2 . 18825 1 1134 . 1 1 94 94 GLU HG3 H 1 2.163 0.05 . 2 . . . A 97 GLU HG3 . 18825 1 1135 . 1 1 94 94 GLU C C 13 178.833 0.50 . 1 . . . A 97 GLU C . 18825 1 1136 . 1 1 94 94 GLU CA C 13 59.252 0.50 . 1 . . . A 97 GLU CA . 18825 1 1137 . 1 1 94 94 GLU CB C 13 29.283 0.50 . 1 . . . A 97 GLU CB . 18825 1 1138 . 1 1 94 94 GLU CG C 13 35.917 0.50 . 1 . . . A 97 GLU CG . 18825 1 1139 . 1 1 94 94 GLU N N 15 117.133 0.10 . 1 . . . A 97 GLU N . 18825 1 1140 . 1 1 95 95 GLN H H 1 7.770 0.05 . 1 . . . A 98 GLN H . 18825 1 1141 . 1 1 95 95 GLN HA H 1 4.017 0.05 . 1 . . . A 98 GLN HA . 18825 1 1142 . 1 1 95 95 GLN HB2 H 1 1.979 0.05 . 2 . . . A 98 GLN HB2 . 18825 1 1143 . 1 1 95 95 GLN HB3 H 1 2.125 0.05 . 2 . . . A 98 GLN HB3 . 18825 1 1144 . 1 1 95 95 GLN HG2 H 1 2.392 0.05 . 2 . . . A 98 GLN HG2 . 18825 1 1145 . 1 1 95 95 GLN HG3 H 1 2.392 0.05 . 2 . . . A 98 GLN HG3 . 18825 1 1146 . 1 1 95 95 GLN HE21 H 1 6.854 0.05 . 2 . . . A 98 GLN HE21 . 18825 1 1147 . 1 1 95 95 GLN HE22 H 1 7.360 0.05 . 2 . . . A 98 GLN HE22 . 18825 1 1148 . 1 1 95 95 GLN C C 13 178.799 0.50 . 1 . . . A 98 GLN C . 18825 1 1149 . 1 1 95 95 GLN CA C 13 58.287 0.50 . 1 . . . A 98 GLN CA . 18825 1 1150 . 1 1 95 95 GLN CB C 13 27.844 0.50 . 1 . . . A 98 GLN CB . 18825 1 1151 . 1 1 95 95 GLN CG C 13 33.371 0.50 . 1 . . . A 98 GLN CG . 18825 1 1152 . 1 1 95 95 GLN N N 15 118.645 0.10 . 1 . . . A 98 GLN N . 18825 1 1153 . 1 1 95 95 GLN NE2 N 15 111.742 0.10 . 1 . . . A 98 GLN NE2 . 18825 1 1154 . 1 1 96 96 LEU H H 1 8.608 0.05 . 1 . . . A 99 LEU H . 18825 1 1155 . 1 1 96 96 LEU HA H 1 3.957 0.05 . 1 . . . A 99 LEU HA . 18825 1 1156 . 1 1 96 96 LEU HB2 H 1 1.476 0.05 . 2 . . . A 99 LEU HB2 . 18825 1 1157 . 1 1 96 96 LEU HB3 H 1 1.866 0.05 . 2 . . . A 99 LEU HB3 . 18825 1 1158 . 1 1 96 96 LEU HG H 1 1.836 0.05 . 1 . . . A 99 LEU HG . 18825 1 1159 . 1 1 96 96 LEU HD11 H 1 0.656 0.05 . 2 . . . A 99 LEU HD11 . 18825 1 1160 . 1 1 96 96 LEU HD12 H 1 0.656 0.05 . 2 . . . A 99 LEU HD12 . 18825 1 1161 . 1 1 96 96 LEU HD13 H 1 0.656 0.05 . 2 . . . A 99 LEU HD13 . 18825 1 1162 . 1 1 96 96 LEU HD21 H 1 0.686 0.05 . 2 . . . A 99 LEU HD21 . 18825 1 1163 . 1 1 96 96 LEU HD22 H 1 0.686 0.05 . 2 . . . A 99 LEU HD22 . 18825 1 1164 . 1 1 96 96 LEU HD23 H 1 0.686 0.05 . 2 . . . A 99 LEU HD23 . 18825 1 1165 . 1 1 96 96 LEU C C 13 179.667 0.50 . 1 . . . A 99 LEU C . 18825 1 1166 . 1 1 96 96 LEU CA C 13 57.792 0.50 . 1 . . . A 99 LEU CA . 18825 1 1167 . 1 1 96 96 LEU CB C 13 39.926 0.50 . 1 . . . A 99 LEU CB . 18825 1 1168 . 1 1 96 96 LEU CG C 13 26.280 0.50 . 1 . . . A 99 LEU CG . 18825 1 1169 . 1 1 96 96 LEU CD1 C 13 26.280 0.50 . 2 . . . A 99 LEU CD1 . 18825 1 1170 . 1 1 96 96 LEU CD2 C 13 21.752 0.50 . 2 . . . A 99 LEU CD2 . 18825 1 1171 . 1 1 96 96 LEU N N 15 119.110 0.10 . 1 . . . A 99 LEU N . 18825 1 1172 . 1 1 97 97 GLN H H 1 8.234 0.05 . 1 . . . A 100 GLN H . 18825 1 1173 . 1 1 97 97 GLN HA H 1 4.035 0.05 . 1 . . . A 100 GLN HA . 18825 1 1174 . 1 1 97 97 GLN HB2 H 1 2.086 0.05 . 2 . . . A 100 GLN HB2 . 18825 1 1175 . 1 1 97 97 GLN HB3 H 1 2.086 0.05 . 2 . . . A 100 GLN HB3 . 18825 1 1176 . 1 1 97 97 GLN HG2 H 1 2.358 0.05 . 2 . . . A 100 GLN HG2 . 18825 1 1177 . 1 1 97 97 GLN HG3 H 1 2.446 0.05 . 2 . . . A 100 GLN HG3 . 18825 1 1178 . 1 1 97 97 GLN HE21 H 1 6.940 0.05 . 2 . . . A 100 GLN HE21 . 18825 1 1179 . 1 1 97 97 GLN HE22 H 1 7.631 0.05 . 2 . . . A 100 GLN HE22 . 18825 1 1180 . 1 1 97 97 GLN C C 13 179.787 0.50 . 1 . . . A 100 GLN C . 18825 1 1181 . 1 1 97 97 GLN CA C 13 58.304 0.50 . 1 . . . A 100 GLN CA . 18825 1 1182 . 1 1 97 97 GLN CB C 13 27.761 0.50 . 1 . . . A 100 GLN CB . 18825 1 1183 . 1 1 97 97 GLN CG C 13 33.670 0.50 . 1 . . . A 100 GLN CG . 18825 1 1184 . 1 1 97 97 GLN N N 15 118.449 0.10 . 1 . . . A 100 GLN N . 18825 1 1185 . 1 1 97 97 GLN NE2 N 15 113.662 0.10 . 1 . . . A 100 GLN NE2 . 18825 1 1186 . 1 1 98 98 LYS H H 1 7.828 0.05 . 1 . . . A 101 LYS H . 18825 1 1187 . 1 1 98 98 LYS HA H 1 3.977 0.05 . 1 . . . A 101 LYS HA . 18825 1 1188 . 1 1 98 98 LYS HB2 H 1 1.869 0.05 . 2 . . . A 101 LYS HB2 . 18825 1 1189 . 1 1 98 98 LYS HB3 H 1 1.869 0.05 . 2 . . . A 101 LYS HB3 . 18825 1 1190 . 1 1 98 98 LYS HG2 H 1 1.393 0.05 . 2 . . . A 101 LYS HG2 . 18825 1 1191 . 1 1 98 98 LYS HG3 H 1 1.571 0.05 . 2 . . . A 101 LYS HG3 . 18825 1 1192 . 1 1 98 98 LYS HD2 H 1 1.613 0.05 . 2 . . . A 101 LYS HD2 . 18825 1 1193 . 1 1 98 98 LYS HD3 H 1 1.613 0.05 . 2 . . . A 101 LYS HD3 . 18825 1 1194 . 1 1 98 98 LYS HE2 H 1 2.894 0.05 . 2 . . . A 101 LYS HE2 . 18825 1 1195 . 1 1 98 98 LYS C C 13 178.543 0.50 . 1 . . . A 101 LYS C . 18825 1 1196 . 1 1 98 98 LYS CA C 13 58.785 0.50 . 1 . . . A 101 LYS CA . 18825 1 1197 . 1 1 98 98 LYS CB C 13 31.883 0.50 . 1 . . . A 101 LYS CB . 18825 1 1198 . 1 1 98 98 LYS CG C 13 25.151 0.50 . 1 . . . A 101 LYS CG . 18825 1 1199 . 1 1 98 98 LYS CD C 13 28.893 0.50 . 1 . . . A 101 LYS CD . 18825 1 1200 . 1 1 98 98 LYS CE C 13 42.008 0.50 . 1 . . . A 101 LYS CE . 18825 1 1201 . 1 1 98 98 LYS N N 15 120.180 0.10 . 1 . . . A 101 LYS N . 18825 1 1202 . 1 1 99 99 LEU H H 1 7.566 0.05 . 1 . . . A 102 LEU H . 18825 1 1203 . 1 1 99 99 LEU HA H 1 4.200 0.05 . 1 . . . A 102 LEU HA . 18825 1 1204 . 1 1 99 99 LEU HB2 H 1 1.562 0.05 . 2 . . . A 102 LEU HB2 . 18825 1 1205 . 1 1 99 99 LEU HB3 H 1 1.741 0.05 . 2 . . . A 102 LEU HB3 . 18825 1 1206 . 1 1 99 99 LEU HG H 1 1.765 0.05 . 1 . . . A 102 LEU HG . 18825 1 1207 . 1 1 99 99 LEU HD11 H 1 0.823 0.05 . 2 . . . A 102 LEU HD11 . 18825 1 1208 . 1 1 99 99 LEU HD12 H 1 0.823 0.05 . 2 . . . A 102 LEU HD12 . 18825 1 1209 . 1 1 99 99 LEU HD13 H 1 0.823 0.05 . 2 . . . A 102 LEU HD13 . 18825 1 1210 . 1 1 99 99 LEU HD21 H 1 0.811 0.05 . 2 . . . A 102 LEU HD21 . 18825 1 1211 . 1 1 99 99 LEU HD22 H 1 0.811 0.05 . 2 . . . A 102 LEU HD22 . 18825 1 1212 . 1 1 99 99 LEU HD23 H 1 0.811 0.05 . 2 . . . A 102 LEU HD23 . 18825 1 1213 . 1 1 99 99 LEU C C 13 177.569 0.50 . 1 . . . A 102 LEU C . 18825 1 1214 . 1 1 99 99 LEU CA C 13 55.217 0.50 . 1 . . . A 102 LEU CA . 18825 1 1215 . 1 1 99 99 LEU CB C 13 43.026 0.50 . 1 . . . A 102 LEU CB . 18825 1 1216 . 1 1 99 99 LEU CG C 13 26.283 0.50 . 1 . . . A 102 LEU CG . 18825 1 1217 . 1 1 99 99 LEU CD1 C 13 25.171 0.50 . 2 . . . A 102 LEU CD1 . 18825 1 1218 . 1 1 99 99 LEU CD2 C 13 22.202 0.50 . 2 . . . A 102 LEU CD2 . 18825 1 1219 . 1 1 99 99 LEU N N 15 117.630 0.10 . 1 . . . A 102 LEU N . 18825 1 1220 . 1 1 100 100 GLY H H 1 7.876 0.05 . 1 . . . A 103 GLY H . 18825 1 1221 . 1 1 100 100 GLY HA2 H 1 3.799 0.05 . 2 . . . A 103 GLY HA2 . 18825 1 1222 . 1 1 100 100 GLY HA3 H 1 3.900 0.05 . 2 . . . A 103 GLY HA3 . 18825 1 1223 . 1 1 100 100 GLY C C 13 174.645 0.50 . 1 . . . A 103 GLY C . 18825 1 1224 . 1 1 100 100 GLY CA C 13 45.653 0.50 . 1 . . . A 103 GLY CA . 18825 1 1225 . 1 1 100 100 GLY N N 15 108.792 0.10 . 1 . . . A 103 GLY N . 18825 1 1226 . 1 1 101 101 VAL H H 1 7.764 0.05 . 1 . . . A 104 VAL H . 18825 1 1227 . 1 1 101 101 VAL HA H 1 3.886 0.05 . 1 . . . A 104 VAL HA . 18825 1 1228 . 1 1 101 101 VAL HB H 1 1.842 0.05 . 1 . . . A 104 VAL HB . 18825 1 1229 . 1 1 101 101 VAL HG11 H 1 0.852 0.05 . 2 . . . A 104 VAL HG11 . 18825 1 1230 . 1 1 101 101 VAL HG12 H 1 0.852 0.05 . 2 . . . A 104 VAL HG12 . 18825 1 1231 . 1 1 101 101 VAL HG13 H 1 0.852 0.05 . 2 . . . A 104 VAL HG13 . 18825 1 1232 . 1 1 101 101 VAL HG21 H 1 0.792 0.05 . 2 . . . A 104 VAL HG21 . 18825 1 1233 . 1 1 101 101 VAL HG22 H 1 0.792 0.05 . 2 . . . A 104 VAL HG22 . 18825 1 1234 . 1 1 101 101 VAL HG23 H 1 0.792 0.05 . 2 . . . A 104 VAL HG23 . 18825 1 1235 . 1 1 101 101 VAL C C 13 175.370 0.50 . 1 . . . A 104 VAL C . 18825 1 1236 . 1 1 101 101 VAL CA C 13 61.915 0.50 . 1 . . . A 104 VAL CA . 18825 1 1237 . 1 1 101 101 VAL CB C 13 32.873 0.50 . 1 . . . A 104 VAL CB . 18825 1 1238 . 1 1 101 101 VAL CG1 C 13 21.156 0.50 . 2 . . . A 104 VAL CG1 . 18825 1 1239 . 1 1 101 101 VAL CG2 C 13 21.187 0.50 . 2 . . . A 104 VAL CG2 . 18825 1 1240 . 1 1 101 101 VAL N N 15 120.385 0.10 . 1 . . . A 104 VAL N . 18825 1 1241 . 1 1 102 102 GLN H H 1 8.291 0.05 . 1 . . . A 105 GLN H . 18825 1 1242 . 1 1 102 102 GLN HA H 1 4.176 0.05 . 1 . . . A 105 GLN HA . 18825 1 1243 . 1 1 102 102 GLN HB2 H 1 1.910 0.05 . 2 . . . A 105 GLN HB2 . 18825 1 1244 . 1 1 102 102 GLN HB3 H 1 1.910 0.05 . 2 . . . A 105 GLN HB3 . 18825 1 1245 . 1 1 102 102 GLN HG2 H 1 2.220 0.05 . 2 . . . A 105 GLN HG2 . 18825 1 1246 . 1 1 102 102 GLN HG3 H 1 2.273 0.05 . 2 . . . A 105 GLN HG3 . 18825 1 1247 . 1 1 102 102 GLN HE21 H 1 7.075 0.05 . 2 . . . A 105 GLN HE21 . 18825 1 1248 . 1 1 102 102 GLN HE22 H 1 7.523 0.05 . 2 . . . A 105 GLN HE22 . 18825 1 1249 . 1 1 102 102 GLN CA C 13 55.699 0.50 . 1 . . . A 105 GLN CA . 18825 1 1250 . 1 1 102 102 GLN CB C 13 28.826 0.50 . 1 . . . A 105 GLN CB . 18825 1 1251 . 1 1 102 102 GLN CG C 13 33.413 0.50 . 1 . . . A 105 GLN CG . 18825 1 1252 . 1 1 102 102 GLN N N 15 124.948 0.10 . 1 . . . A 105 GLN N . 18825 1 1253 . 1 1 102 102 GLN NE2 N 15 113.682 0.10 . 1 . . . A 105 GLN NE2 . 18825 1 1254 . 1 1 103 103 VAL H H 1 8.579 0.05 . 1 . . . A 106 VAL H . 18825 1 1255 . 1 1 103 103 VAL HA H 1 3.509 0.05 . 1 . . . A 106 VAL HA . 18825 1 1256 . 1 1 103 103 VAL HB H 1 1.990 0.05 . 1 . . . A 106 VAL HB . 18825 1 1257 . 1 1 103 103 VAL HG11 H 1 0.632 0.05 . 2 . . . A 106 VAL HG11 . 18825 1 1258 . 1 1 103 103 VAL HG12 H 1 0.632 0.05 . 2 . . . A 106 VAL HG12 . 18825 1 1259 . 1 1 103 103 VAL HG13 H 1 0.632 0.05 . 2 . . . A 106 VAL HG13 . 18825 1 1260 . 1 1 103 103 VAL HG21 H 1 0.865 0.05 . 2 . . . A 106 VAL HG21 . 18825 1 1261 . 1 1 103 103 VAL HG22 H 1 0.865 0.05 . 2 . . . A 106 VAL HG22 . 18825 1 1262 . 1 1 103 103 VAL HG23 H 1 0.865 0.05 . 2 . . . A 106 VAL HG23 . 18825 1 1263 . 1 1 103 103 VAL CA C 13 64.391 0.50 . 1 . . . A 106 VAL CA . 18825 1 1264 . 1 1 103 103 VAL CB C 13 30.336 0.50 . 1 . . . A 106 VAL CB . 18825 1 1265 . 1 1 103 103 VAL CG1 C 13 21.734 0.50 . 2 . . . A 106 VAL CG1 . 18825 1 1266 . 1 1 103 103 VAL CG2 C 13 21.715 0.50 . 2 . . . A 106 VAL CG2 . 18825 1 1267 . 1 1 105 105 GLU H H 1 8.603 0.05 . 1 . . . A 108 GLU H . 18825 1 1268 . 1 1 105 105 GLU HA H 1 3.638 0.05 . 1 . . . A 108 GLU HA . 18825 1 1269 . 1 1 105 105 GLU HB2 H 1 1.920 0.05 . 2 . . . A 108 GLU HB2 . 18825 1 1270 . 1 1 105 105 GLU HB3 H 1 2.169 0.05 . 2 . . . A 108 GLU HB3 . 18825 1 1271 . 1 1 105 105 GLU HG2 H 1 2.173 0.05 . 2 . . . A 108 GLU HG2 . 18825 1 1272 . 1 1 105 105 GLU HG3 H 1 2.172 0.05 . 2 . . . A 108 GLU HG3 . 18825 1 1273 . 1 1 105 105 GLU CA C 13 59.799 0.50 . 1 . . . A 108 GLU CA . 18825 1 1274 . 1 1 105 105 GLU CB C 13 29.305 0.50 . 1 . . . A 108 GLU CB . 18825 1 1275 . 1 1 105 105 GLU CG C 13 36.909 0.50 . 1 . . . A 108 GLU CG . 18825 1 1276 . 1 1 107 107 LEU HA H 1 4.090 0.05 . 1 . . . A 110 LEU HA . 18825 1 1277 . 1 1 107 107 LEU HB2 H 1 1.544 0.05 . 2 . . . A 110 LEU HB2 . 18825 1 1278 . 1 1 107 107 LEU HB3 H 1 1.637 0.05 . 2 . . . A 110 LEU HB3 . 18825 1 1279 . 1 1 107 107 LEU HG H 1 1.653 0.05 . 1 . . . A 110 LEU HG . 18825 1 1280 . 1 1 107 107 LEU HD11 H 1 0.806 0.05 . 2 . . . A 110 LEU HD11 . 18825 1 1281 . 1 1 107 107 LEU HD12 H 1 0.806 0.05 . 2 . . . A 110 LEU HD12 . 18825 1 1282 . 1 1 107 107 LEU HD13 H 1 0.806 0.05 . 2 . . . A 110 LEU HD13 . 18825 1 1283 . 1 1 107 107 LEU HD21 H 1 0.923 0.05 . 2 . . . A 110 LEU HD21 . 18825 1 1284 . 1 1 107 107 LEU HD22 H 1 0.923 0.05 . 2 . . . A 110 LEU HD22 . 18825 1 1285 . 1 1 107 107 LEU HD23 H 1 0.923 0.05 . 2 . . . A 110 LEU HD23 . 18825 1 1286 . 1 1 107 107 LEU C C 13 177.927 0.50 . 1 . . . A 110 LEU C . 18825 1 1287 . 1 1 107 107 LEU CA C 13 56.263 0.50 . 1 . . . A 110 LEU CA . 18825 1 1288 . 1 1 107 107 LEU CB C 13 41.992 0.50 . 1 . . . A 110 LEU CB . 18825 1 1289 . 1 1 107 107 LEU CG C 13 26.821 0.50 . 1 . . . A 110 LEU CG . 18825 1 1290 . 1 1 107 107 LEU CD1 C 13 22.889 0.50 . 2 . . . A 110 LEU CD1 . 18825 1 1291 . 1 1 107 107 LEU CD2 C 13 25.754 0.50 . 2 . . . A 110 LEU CD2 . 18825 1 1292 . 1 1 108 108 LEU H H 1 7.857 0.05 . 1 . . . A 111 LEU H . 18825 1 1293 . 1 1 108 108 LEU HA H 1 4.130 0.05 . 1 . . . A 111 LEU HA . 18825 1 1294 . 1 1 108 108 LEU HB2 H 1 1.568 0.05 . 2 . . . A 111 LEU HB2 . 18825 1 1295 . 1 1 108 108 LEU HB3 H 1 1.740 0.05 . 2 . . . A 111 LEU HB3 . 18825 1 1296 . 1 1 108 108 LEU HG H 1 1.560 0.05 . 1 . . . A 111 LEU HG . 18825 1 1297 . 1 1 108 108 LEU HD11 H 1 0.798 0.05 . 2 . . . A 111 LEU HD11 . 18825 1 1298 . 1 1 108 108 LEU HD12 H 1 0.798 0.05 . 2 . . . A 111 LEU HD12 . 18825 1 1299 . 1 1 108 108 LEU HD13 H 1 0.798 0.05 . 2 . . . A 111 LEU HD13 . 18825 1 1300 . 1 1 108 108 LEU HD21 H 1 0.790 0.05 . 2 . . . A 111 LEU HD21 . 18825 1 1301 . 1 1 108 108 LEU HD22 H 1 0.790 0.05 . 2 . . . A 111 LEU HD22 . 18825 1 1302 . 1 1 108 108 LEU HD23 H 1 0.790 0.05 . 2 . . . A 111 LEU HD23 . 18825 1 1303 . 1 1 108 108 LEU C C 13 177.641 0.50 . 1 . . . A 111 LEU C . 18825 1 1304 . 1 1 108 108 LEU CA C 13 55.736 0.50 . 1 . . . A 111 LEU CA . 18825 1 1305 . 1 1 108 108 LEU CB C 13 41.020 0.50 . 1 . . . A 111 LEU CB . 18825 1 1306 . 1 1 108 108 LEU CG C 13 27.231 0.50 . 1 . . . A 111 LEU CG . 18825 1 1307 . 1 1 108 108 LEU CD1 C 13 22.976 0.50 . 2 . . . A 111 LEU CD1 . 18825 1 1308 . 1 1 108 108 LEU CD2 C 13 25.270 0.50 . 2 . . . A 111 LEU CD2 . 18825 1 1309 . 1 1 108 108 LEU N N 15 116.789 0.10 . 1 . . . A 111 LEU N . 18825 1 1310 . 1 1 109 109 ARG H H 1 7.568 0.05 . 1 . . . A 112 ARG H . 18825 1 1311 . 1 1 109 109 ARG HA H 1 4.211 0.05 . 1 . . . A 112 ARG HA . 18825 1 1312 . 1 1 109 109 ARG HB2 H 1 1.715 0.05 . 2 . . . A 112 ARG HB2 . 18825 1 1313 . 1 1 109 109 ARG HB3 H 1 1.808 0.05 . 2 . . . A 112 ARG HB3 . 18825 1 1314 . 1 1 109 109 ARG HG2 H 1 1.562 0.05 . 2 . . . A 112 ARG HG2 . 18825 1 1315 . 1 1 109 109 ARG HG3 H 1 1.562 0.05 . 2 . . . A 112 ARG HG3 . 18825 1 1316 . 1 1 109 109 ARG HD2 H 1 3.111 0.05 . 2 . . . A 112 ARG HD2 . 18825 1 1317 . 1 1 109 109 ARG HD3 H 1 3.119 0.05 . 2 . . . A 112 ARG HD3 . 18825 1 1318 . 1 1 109 109 ARG C C 13 176.289 0.50 . 1 . . . A 112 ARG C . 18825 1 1319 . 1 1 109 109 ARG CA C 13 55.717 0.50 . 1 . . . A 112 ARG CA . 18825 1 1320 . 1 1 109 109 ARG CB C 13 30.340 0.50 . 1 . . . A 112 ARG CB . 18825 1 1321 . 1 1 109 109 ARG CG C 13 26.769 0.50 . 1 . . . A 112 ARG CG . 18825 1 1322 . 1 1 109 109 ARG CD C 13 43.048 0.50 . 1 . . . A 112 ARG CD . 18825 1 1323 . 1 1 109 109 ARG N N 15 119.089 0.10 . 1 . . . A 112 ARG N . 18825 1 1324 . 1 1 110 110 ALA H H 1 7.999 0.05 . 1 . . . A 113 ALA H . 18825 1 1325 . 1 1 110 110 ALA HA H 1 4.187 0.05 . 1 . . . A 113 ALA HA . 18825 1 1326 . 1 1 110 110 ALA HB1 H 1 1.337 0.05 . 1 . . . A 113 ALA HB1 . 18825 1 1327 . 1 1 110 110 ALA HB2 H 1 1.337 0.05 . 1 . . . A 113 ALA HB2 . 18825 1 1328 . 1 1 110 110 ALA HB3 H 1 1.337 0.05 . 1 . . . A 113 ALA HB3 . 18825 1 1329 . 1 1 110 110 ALA C C 13 177.826 0.50 . 1 . . . A 113 ALA C . 18825 1 1330 . 1 1 110 110 ALA CA C 13 52.678 0.50 . 1 . . . A 113 ALA CA . 18825 1 1331 . 1 1 110 110 ALA CB C 13 18.661 0.50 . 1 . . . A 113 ALA CB . 18825 1 1332 . 1 1 110 110 ALA N N 15 123.800 0.10 . 1 . . . A 113 ALA N . 18825 1 1333 . 1 1 111 111 GLN H H 1 8.175 0.05 . 1 . . . A 114 GLN H . 18825 1 1334 . 1 1 111 111 GLN HA H 1 4.204 0.05 . 1 . . . A 114 GLN HA . 18825 1 1335 . 1 1 111 111 GLN HB2 H 1 1.913 0.05 . 2 . . . A 114 GLN HB2 . 18825 1 1336 . 1 1 111 111 GLN HB3 H 1 2.027 0.05 . 2 . . . A 114 GLN HB3 . 18825 1 1337 . 1 1 111 111 GLN HG2 H 1 2.311 0.05 . 2 . . . A 114 GLN HG2 . 18825 1 1338 . 1 1 111 111 GLN HG3 H 1 2.311 0.05 . 2 . . . A 114 GLN HG3 . 18825 1 1339 . 1 1 111 111 GLN HE21 H 1 6.827 0.05 . 2 . . . A 114 GLN HE21 . 18825 1 1340 . 1 1 111 111 GLN HE22 H 1 7.525 0.05 . 2 . . . A 114 GLN HE22 . 18825 1 1341 . 1 1 111 111 GLN C C 13 175.858 0.50 . 1 . . . A 114 GLN C . 18825 1 1342 . 1 1 111 111 GLN CA C 13 55.594 0.50 . 1 . . . A 114 GLN CA . 18825 1 1343 . 1 1 111 111 GLN CB C 13 28.815 0.50 . 1 . . . A 114 GLN CB . 18825 1 1344 . 1 1 111 111 GLN CG C 13 33.380 0.50 . 1 . . . A 114 GLN CG . 18825 1 1345 . 1 1 111 111 GLN N N 15 118.539 0.10 . 1 . . . A 114 GLN N . 18825 1 1346 . 1 1 111 111 GLN NE2 N 15 112.763 0.10 . 1 . . . A 114 GLN NE2 . 18825 1 1347 . 1 1 112 112 GLU H H 1 8.218 0.05 . 1 . . . A 115 GLU H . 18825 1 1348 . 1 1 112 112 GLU HA H 1 4.179 0.05 . 1 . . . A 115 GLU HA . 18825 1 1349 . 1 1 112 112 GLU HB2 H 1 1.836 0.05 . 2 . . . A 115 GLU HB2 . 18825 1 1350 . 1 1 112 112 GLU HB3 H 1 1.943 0.05 . 2 . . . A 115 GLU HB3 . 18825 1 1351 . 1 1 112 112 GLU HG2 H 1 2.154 0.05 . 2 . . . A 115 GLU HG2 . 18825 1 1352 . 1 1 112 112 GLU HG3 H 1 2.155 0.05 . 2 . . . A 115 GLU HG3 . 18825 1 1353 . 1 1 112 112 GLU C C 13 175.680 0.50 . 1 . . . A 115 GLU C . 18825 1 1354 . 1 1 112 112 GLU CA C 13 55.746 0.50 . 1 . . . A 115 GLU CA . 18825 1 1355 . 1 1 112 112 GLU CB C 13 30.081 0.50 . 1 . . . A 115 GLU CB . 18825 1 1356 . 1 1 112 112 GLU CG C 13 35.913 0.50 . 1 . . . A 115 GLU CG . 18825 1 1357 . 1 1 112 112 GLU N N 15 121.621 0.10 . 1 . . . A 115 GLU N . 18825 1 1358 . 1 1 113 113 ALA H H 1 8.315 0.05 . 1 . . . A 116 ALA H . 18825 1 1359 . 1 1 113 113 ALA HA H 1 4.502 0.05 . 1 . . . A 116 ALA HA . 18825 1 1360 . 1 1 113 113 ALA HB1 H 1 1.274 0.05 . 1 . . . A 116 ALA HB1 . 18825 1 1361 . 1 1 113 113 ALA HB2 H 1 1.274 0.05 . 1 . . . A 116 ALA HB2 . 18825 1 1362 . 1 1 113 113 ALA HB3 H 1 1.274 0.05 . 1 . . . A 116 ALA HB3 . 18825 1 1363 . 1 1 113 113 ALA CA C 13 50.149 0.50 . 1 . . . A 116 ALA CA . 18825 1 1364 . 1 1 113 113 ALA CB C 13 17.669 0.50 . 1 . . . A 116 ALA CB . 18825 1 1365 . 1 1 113 113 ALA N N 15 126.459 0.10 . 1 . . . A 116 ALA N . 18825 1 1366 . 1 1 114 114 PRO HA H 1 4.353 0.05 . 1 . . . A 117 PRO HA . 18825 1 1367 . 1 1 114 114 PRO HB2 H 1 1.869 0.05 . 2 . . . A 117 PRO HB2 . 18825 1 1368 . 1 1 114 114 PRO HB3 H 1 2.227 0.05 . 2 . . . A 117 PRO HB3 . 18825 1 1369 . 1 1 114 114 PRO HG2 H 1 1.951 0.05 . 2 . . . A 117 PRO HG2 . 18825 1 1370 . 1 1 114 114 PRO HG3 H 1 2.229 0.05 . 2 . . . A 117 PRO HG3 . 18825 1 1371 . 1 1 114 114 PRO HD2 H 1 3.574 0.05 . 2 . . . A 117 PRO HD2 . 18825 1 1372 . 1 1 114 114 PRO HD3 H 1 3.708 0.05 . 2 . . . A 117 PRO HD3 . 18825 1 1373 . 1 1 114 114 PRO C C 13 177.623 0.50 . 1 . . . A 117 PRO C . 18825 1 1374 . 1 1 114 114 PRO CA C 13 62.951 0.50 . 1 . . . A 117 PRO CA . 18825 1 1375 . 1 1 114 114 PRO CB C 13 31.804 0.50 . 1 . . . A 117 PRO CB . 18825 1 1376 . 1 1 114 114 PRO CG C 13 26.905 0.50 . 1 . . . A 117 PRO CG . 18825 1 1377 . 1 1 114 114 PRO CD C 13 50.164 0.50 . 1 . . . A 117 PRO CD . 18825 1 1378 . 1 1 115 115 GLY H H 1 8.468 0.05 . 1 . . . A 118 GLY H . 18825 1 1379 . 1 1 115 115 GLY HA2 H 1 3.828 0.05 . 2 . . . A 118 GLY HA2 . 18825 1 1380 . 1 1 115 115 GLY HA3 H 1 3.898 0.05 . 2 . . . A 118 GLY HA3 . 18825 1 1381 . 1 1 115 115 GLY C C 13 173.915 0.50 . 1 . . . A 118 GLY C . 18825 1 1382 . 1 1 115 115 GLY CA C 13 45.057 0.50 . 1 . . . A 118 GLY CA . 18825 1 1383 . 1 1 115 115 GLY N N 15 109.255 0.10 . 1 . . . A 118 GLY N . 18825 1 1384 . 1 1 116 116 GLN H H 1 8.132 0.05 . 1 . . . A 119 GLN H . 18825 1 1385 . 1 1 116 116 GLN HA H 1 4.264 0.05 . 1 . . . A 119 GLN HA . 18825 1 1386 . 1 1 116 116 GLN HB2 H 1 1.908 0.05 . 2 . . . A 119 GLN HB2 . 18825 1 1387 . 1 1 116 116 GLN HB3 H 1 2.053 0.05 . 2 . . . A 119 GLN HB3 . 18825 1 1388 . 1 1 116 116 GLN HG2 H 1 2.274 0.05 . 2 . . . A 119 GLN HG2 . 18825 1 1389 . 1 1 116 116 GLN HG3 H 1 2.275 0.05 . 2 . . . A 119 GLN HG3 . 18825 1 1390 . 1 1 116 116 GLN HE21 H 1 6.829 0.05 . 2 . . . A 119 GLN HE21 . 18825 1 1391 . 1 1 116 116 GLN HE22 H 1 7.608 0.05 . 2 . . . A 119 GLN HE22 . 18825 1 1392 . 1 1 116 116 GLN C C 13 174.735 0.50 . 1 . . . A 119 GLN C . 18825 1 1393 . 1 1 116 116 GLN CA C 13 55.213 0.50 . 1 . . . A 119 GLN CA . 18825 1 1394 . 1 1 116 116 GLN CB C 13 29.309 0.50 . 1 . . . A 119 GLN CB . 18825 1 1395 . 1 1 116 116 GLN CG C 13 33.540 0.50 . 1 . . . A 119 GLN CG . 18825 1 1396 . 1 1 116 116 GLN N N 15 120.016 0.10 . 1 . . . A 119 GLN N . 18825 1 1397 . 1 1 116 116 GLN NE2 N 15 113.226 0.10 . 1 . . . A 119 GLN NE2 . 18825 1 1398 . 1 1 117 117 ALA H H 1 8.043 0.05 . 1 . . . A 120 ALA H . 18825 1 1399 . 1 1 117 117 ALA HA H 1 4.044 0.05 . 1 . . . A 120 ALA HA . 18825 1 1400 . 1 1 117 117 ALA HB1 H 1 1.255 0.05 . 1 . . . A 120 ALA HB1 . 18825 1 1401 . 1 1 117 117 ALA HB2 H 1 1.255 0.05 . 1 . . . A 120 ALA HB2 . 18825 1 1402 . 1 1 117 117 ALA HB3 H 1 1.255 0.05 . 1 . . . A 120 ALA HB3 . 18825 1 1403 . 1 1 117 117 ALA CA C 13 53.699 0.50 . 1 . . . A 120 ALA CA . 18825 1 1404 . 1 1 117 117 ALA CB C 13 19.759 0.50 . 1 . . . A 120 ALA CB . 18825 1 1405 . 1 1 117 117 ALA N N 15 131.404 0.10 . 1 . . . A 120 ALA N . 18825 1 1406 . 2 2 1 1 GLN HB2 H 1 2.003 0.05 . 2 . . . . 121 GLN HB2 . 18825 1 1407 . 2 2 1 1 GLN HB3 H 1 2.083 0.05 . 2 . . . . 121 GLN HB3 . 18825 1 1408 . 2 2 1 1 GLN HG2 H 1 2.295 0.05 . 2 . . . . 121 GLN HG2 . 18825 1 1409 . 2 2 1 1 GLN HG3 H 1 2.295 0.05 . 2 . . . . 121 GLN HG3 . 18825 1 1410 . 2 2 1 1 GLN HE21 H 1 6.865 0.05 . 2 . . . . 121 GLN HE21 . 18825 1 1411 . 2 2 1 1 GLN HE22 H 1 7.533 0.05 . 2 . . . . 121 GLN HE22 . 18825 1 1412 . 2 2 2 2 ASP HB2 H 1 2.856 0.05 . 2 . . . . 122 ASP HB2 . 18825 1 1413 . 2 2 2 2 ASP HB3 H 1 3.047 0.05 . 2 . . . . 122 ASP HB3 . 18825 1 1414 . 2 2 3 3 THR H H 1 8.633 0.05 . 1 . . . . 123 THR H . 18825 1 1415 . 2 2 3 3 THR HG21 H 1 1.060 0.05 . 1 . . . . 123 THR HG2 . 18825 1 1416 . 2 2 3 3 THR HG22 H 1 1.060 0.05 . 1 . . . . 123 THR HG2 . 18825 1 1417 . 2 2 3 3 THR HG23 H 1 1.060 0.05 . 1 . . . . 123 THR HG2 . 18825 1 1418 . 2 2 4 4 ARG H H 1 8.633 0.05 . 1 . . . . 124 ARG H . 18825 1 1419 . 2 2 4 4 ARG HA H 1 4.003 0.05 . 1 . . . . 124 ARG HA . 18825 1 1420 . 2 2 4 4 ARG HG2 H 1 1.092 0.05 . 2 . . . . 124 ARG HG2 . 18825 1 1421 . 2 2 5 5 LEU H H 1 8.693 0.05 . 1 . . . . 125 LEU H . 18825 1 1422 . 2 2 5 5 LEU HB2 H 1 1.277 0.05 . 2 . . . . 125 LEU HB2 . 18825 1 1423 . 2 2 5 5 LEU HB3 H 1 1.499 0.05 . 2 . . . . 125 LEU HB3 . 18825 1 1424 . 2 2 5 5 LEU HD11 H 1 0.323 0.05 . 2 . . . . 125 LEU HD1 . 18825 1 1425 . 2 2 5 5 LEU HD12 H 1 0.323 0.05 . 2 . . . . 125 LEU HD1 . 18825 1 1426 . 2 2 5 5 LEU HD13 H 1 0.323 0.05 . 2 . . . . 125 LEU HD1 . 18825 1 1427 . 2 2 5 5 LEU HD21 H 1 0.681 0.05 . 2 . . . . 125 LEU HD2 . 18825 1 1428 . 2 2 5 5 LEU HD22 H 1 0.681 0.05 . 2 . . . . 125 LEU HD2 . 18825 1 1429 . 2 2 5 5 LEU HD23 H 1 0.681 0.05 . 2 . . . . 125 LEU HD2 . 18825 1 stop_ save_