data_19508 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19508 _Entry.Title ; Solution structure of the human wild type FAPP1-PH domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-09-19 _Entry.Accession_date 2013-09-19 _Entry.Last_release_date 2014-09-22 _Entry.Original_release_date 2014-09-22 _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 Marc Lenoir . . . 19508 2 Michael Overduin . . . 19508 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' . 19508 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 19508 phosphoinositide . 19508 'pleckstrin homology' . 19508 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19508 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 400 19508 '15N chemical shifts' 113 19508 '1H chemical shifts' 688 19508 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-09-22 2013-09-19 original author . 19508 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KCJ . 19508 PDB 3RCP . 19508 PDB 2MDX 'Chemical shifts checked and updated' 19508 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19508 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the human wild type FAPP1-PH domain' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Marc Lenoir . . . 19508 1 2 Michael Overduin . . . 19508 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19508 _Assembly.ID 1 _Assembly.Name 'human wild type FAPP1-PH domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'human wild type FAPP1-PH domain' 1 $entity A . yes native no no . . . 19508 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19508 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSPEFMEGVLYKWTNYL TGWQPRWFVLDNGILSYYDS QDDVCKGSKGSIKMAVCEIK VHSADNTRMELIIPGEQHFY MKAVNAAERQRWLVALGSSK ACLTDTRT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12236.042 _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 16082 . FAPP1-PH . . . . . 100.00 108 99.07 99.07 7.71e-74 . . . . 19508 1 2 no BMRB 19576 . FAPP1 . . . . . 90.74 106 100.00 100.00 9.17e-67 . . . . 19508 1 3 no PDB 2KCJ . "Solution Structure Of Fapp1 Ph Domain" . . . . . 100.00 108 99.07 99.07 7.71e-74 . . . . 19508 1 4 no PDB 2MDX . "Solution Structure Of The Human Wild Type Fapp1-ph Domain" . . . . . 100.00 108 100.00 100.00 5.20e-75 . . . . 19508 1 5 no DBJ BAG37067 . "unnamed protein product [Homo sapiens]" . . . . . 92.59 300 100.00 100.00 3.11e-68 . . . . 19508 1 6 no GB AAG15199 . "Phosphoinositol 4-phosphate Adaptor Protein-1 [Homo sapiens]" . . . . . 92.59 300 100.00 100.00 3.43e-68 . . . . 19508 1 7 no GB AAG15200 . "Phosphoinositol 4-phosphate Adaptor Protein-1 [Mus musculus]" . . . . . 92.59 297 99.00 99.00 2.48e-67 . . . . 19508 1 8 no GB AAH31110 . "Pleckstrin homology domain-containing, family A (phosphoinositide binding specific) member 3 [Mus musculus]" . . . . . 92.59 297 99.00 99.00 2.48e-67 . . . . 19508 1 9 no GB AAH44567 . "Pleckstrin homology domain containing, family A (phosphoinositide binding specific) member 3 [Homo sapiens]" . . . . . 92.59 300 100.00 100.00 3.11e-68 . . . . 19508 1 10 no GB AAH83759 . "Pleckstrin homology domain-containing, family A (phosphoinositide binding specific) member 3 [Rattus norvegicus]" . . . . . 92.59 299 100.00 100.00 5.08e-68 . . . . 19508 1 11 no REF NP_001013095 . "pleckstrin homology domain-containing family A member 3 [Rattus norvegicus]" . . . . . 92.59 299 100.00 100.00 5.08e-68 . . . . 19508 1 12 no REF NP_001095383 . "pleckstrin homology domain-containing family A member 3 [Bos taurus]" . . . . . 92.59 300 100.00 100.00 4.44e-68 . . . . 19508 1 13 no REF NP_001230393 . "pleckstrin homology domain-containing family A member 3 [Sus scrofa]" . . . . . 92.59 300 100.00 100.00 4.54e-68 . . . . 19508 1 14 no REF NP_061964 . "pleckstrin homology domain-containing family A member 3 [Homo sapiens]" . . . . . 92.59 300 100.00 100.00 3.11e-68 . . . . 19508 1 15 no REF NP_112546 . "pleckstrin homology domain-containing family A member 3 [Mus musculus]" . . . . . 92.59 297 99.00 99.00 2.48e-67 . . . . 19508 1 16 no SP Q9ERS4 . "RecName: Full=Pleckstrin homology domain-containing family A member 3; Short=PH domain-containing family A member 3; AltName: F" . . . . . 92.59 297 99.00 99.00 2.48e-67 . . . . 19508 1 17 no SP Q9HB20 . "RecName: Full=Pleckstrin homology domain-containing family A member 3; Short=PH domain-containing family A member 3; AltName: F" . . . . . 92.59 300 100.00 100.00 3.11e-68 . . . . 19508 1 18 no TPG DAA32821 . "TPA: pleckstrin homology domain containing, family A (phosphoinositide binding specific) member 3 [Bos taurus]" . . . . . 92.59 300 100.00 100.00 3.99e-68 . . . . 19508 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 19508 1 2 . PRO . 19508 1 3 . LEU . 19508 1 4 . GLY . 19508 1 5 . SER . 19508 1 6 . PRO . 19508 1 7 . GLU . 19508 1 8 . PHE . 19508 1 9 . MET . 19508 1 10 . GLU . 19508 1 11 . GLY . 19508 1 12 . VAL . 19508 1 13 . LEU . 19508 1 14 . TYR . 19508 1 15 . LYS . 19508 1 16 . TRP . 19508 1 17 . THR . 19508 1 18 . ASN . 19508 1 19 . TYR . 19508 1 20 . LEU . 19508 1 21 . THR . 19508 1 22 . GLY . 19508 1 23 . TRP . 19508 1 24 . GLN . 19508 1 25 . PRO . 19508 1 26 . ARG . 19508 1 27 . TRP . 19508 1 28 . PHE . 19508 1 29 . VAL . 19508 1 30 . LEU . 19508 1 31 . ASP . 19508 1 32 . ASN . 19508 1 33 . GLY . 19508 1 34 . ILE . 19508 1 35 . LEU . 19508 1 36 . SER . 19508 1 37 . TYR . 19508 1 38 . TYR . 19508 1 39 . ASP . 19508 1 40 . SER . 19508 1 41 . GLN . 19508 1 42 . ASP . 19508 1 43 . ASP . 19508 1 44 . VAL . 19508 1 45 . CYS . 19508 1 46 . LYS . 19508 1 47 . GLY . 19508 1 48 . SER . 19508 1 49 . LYS . 19508 1 50 . GLY . 19508 1 51 . SER . 19508 1 52 . ILE . 19508 1 53 . LYS . 19508 1 54 . MET . 19508 1 55 . ALA . 19508 1 56 . VAL . 19508 1 57 . CYS . 19508 1 58 . GLU . 19508 1 59 . ILE . 19508 1 60 . LYS . 19508 1 61 . VAL . 19508 1 62 . HIS . 19508 1 63 . SER . 19508 1 64 . ALA . 19508 1 65 . ASP . 19508 1 66 . ASN . 19508 1 67 . THR . 19508 1 68 . ARG . 19508 1 69 . MET . 19508 1 70 . GLU . 19508 1 71 . LEU . 19508 1 72 . ILE . 19508 1 73 . ILE . 19508 1 74 . PRO . 19508 1 75 . GLY . 19508 1 76 . GLU . 19508 1 77 . GLN . 19508 1 78 . HIS . 19508 1 79 . PHE . 19508 1 80 . TYR . 19508 1 81 . MET . 19508 1 82 . LYS . 19508 1 83 . ALA . 19508 1 84 . VAL . 19508 1 85 . ASN . 19508 1 86 . ALA . 19508 1 87 . ALA . 19508 1 88 . GLU . 19508 1 89 . ARG . 19508 1 90 . GLN . 19508 1 91 . ARG . 19508 1 92 . TRP . 19508 1 93 . LEU . 19508 1 94 . VAL . 19508 1 95 . ALA . 19508 1 96 . LEU . 19508 1 97 . GLY . 19508 1 98 . SER . 19508 1 99 . SER . 19508 1 100 . LYS . 19508 1 101 . ALA . 19508 1 102 . CYS . 19508 1 103 . LEU . 19508 1 104 . THR . 19508 1 105 . ASP . 19508 1 106 . THR . 19508 1 107 . ARG . 19508 1 108 . THR . 19508 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 19508 1 . PRO 2 2 19508 1 . LEU 3 3 19508 1 . GLY 4 4 19508 1 . SER 5 5 19508 1 . PRO 6 6 19508 1 . GLU 7 7 19508 1 . PHE 8 8 19508 1 . MET 9 9 19508 1 . GLU 10 10 19508 1 . GLY 11 11 19508 1 . VAL 12 12 19508 1 . LEU 13 13 19508 1 . TYR 14 14 19508 1 . LYS 15 15 19508 1 . TRP 16 16 19508 1 . THR 17 17 19508 1 . ASN 18 18 19508 1 . TYR 19 19 19508 1 . LEU 20 20 19508 1 . THR 21 21 19508 1 . GLY 22 22 19508 1 . TRP 23 23 19508 1 . GLN 24 24 19508 1 . PRO 25 25 19508 1 . ARG 26 26 19508 1 . TRP 27 27 19508 1 . PHE 28 28 19508 1 . VAL 29 29 19508 1 . LEU 30 30 19508 1 . ASP 31 31 19508 1 . ASN 32 32 19508 1 . GLY 33 33 19508 1 . ILE 34 34 19508 1 . LEU 35 35 19508 1 . SER 36 36 19508 1 . TYR 37 37 19508 1 . TYR 38 38 19508 1 . ASP 39 39 19508 1 . SER 40 40 19508 1 . GLN 41 41 19508 1 . ASP 42 42 19508 1 . ASP 43 43 19508 1 . VAL 44 44 19508 1 . CYS 45 45 19508 1 . LYS 46 46 19508 1 . GLY 47 47 19508 1 . SER 48 48 19508 1 . LYS 49 49 19508 1 . GLY 50 50 19508 1 . SER 51 51 19508 1 . ILE 52 52 19508 1 . LYS 53 53 19508 1 . MET 54 54 19508 1 . ALA 55 55 19508 1 . VAL 56 56 19508 1 . CYS 57 57 19508 1 . GLU 58 58 19508 1 . ILE 59 59 19508 1 . LYS 60 60 19508 1 . VAL 61 61 19508 1 . HIS 62 62 19508 1 . SER 63 63 19508 1 . ALA 64 64 19508 1 . ASP 65 65 19508 1 . ASN 66 66 19508 1 . THR 67 67 19508 1 . ARG 68 68 19508 1 . MET 69 69 19508 1 . GLU 70 70 19508 1 . LEU 71 71 19508 1 . ILE 72 72 19508 1 . ILE 73 73 19508 1 . PRO 74 74 19508 1 . GLY 75 75 19508 1 . GLU 76 76 19508 1 . GLN 77 77 19508 1 . HIS 78 78 19508 1 . PHE 79 79 19508 1 . TYR 80 80 19508 1 . MET 81 81 19508 1 . LYS 82 82 19508 1 . ALA 83 83 19508 1 . VAL 84 84 19508 1 . ASN 85 85 19508 1 . ALA 86 86 19508 1 . ALA 87 87 19508 1 . GLU 88 88 19508 1 . ARG 89 89 19508 1 . GLN 90 90 19508 1 . ARG 91 91 19508 1 . TRP 92 92 19508 1 . LEU 93 93 19508 1 . VAL 94 94 19508 1 . ALA 95 95 19508 1 . LEU 96 96 19508 1 . GLY 97 97 19508 1 . SER 98 98 19508 1 . SER 99 99 19508 1 . LYS 100 100 19508 1 . ALA 101 101 19508 1 . CYS 102 102 19508 1 . LEU 103 103 19508 1 . THR 104 104 19508 1 . ASP 105 105 19508 1 . THR 106 106 19508 1 . ARG 107 107 19508 1 . THR 108 108 19508 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19508 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19508 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 19508 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGex . . . . . . 19508 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19508 _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 entity '[U-13C; U-15N]' . . 1 $entity . . . 500 800 uM . . . . 19508 1 2 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19508 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 19508 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19508 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19508 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19508 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 19508 _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' 240 . mM 19508 1 pH 7 . pH 19508 1 pressure 1 . atm 19508 1 temperature 298 . K 19508 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 19508 _Software.ID 1 _Software.Name ANALYSIS _Software.Version 2.2 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 19508 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 19508 1 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 19508 _Software.ID 2 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 19508 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19508 2 stop_ save_ save_TAD_and_SA _Method.Sf_category method _Method.Sf_framecode TAD_and_SA _Method.Entry_ID 19508 _Method.ID 1 _Method.Derivation_type . _Method.Details 'TAD and SA' _Method.Computer_ID . _Method.Computer_label . 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 19508 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19508 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 19508 _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 Varian INOVA . 800 . . . 19508 1 2 spectrometer_2 Varian INOVA . 900 . . . 19508 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 19508 _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 . . . . . . . . . . . . . . . . . . . . . 19508 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19508 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19508 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19508 1 5 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19508 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 19508 _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 . . . . . . . . . 19508 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19508 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19508 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19508 _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' 1 $sample_1 isotropic 19508 1 2 '3D HNCO' 1 $sample_1 isotropic 19508 1 3 '3D HNCA' 1 $sample_1 isotropic 19508 1 4 '3D HN(CO)CA' 1 $sample_1 isotropic 19508 1 5 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 19508 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 2 2 PRO HG2 H 1 1.977 0.02 . 1 . 2269 . A 2 PRO HG2 . 19508 1 2 . 1 1 2 2 PRO HG3 H 1 1.977 0.02 . 1 . 2268 . A 2 PRO HG3 . 19508 1 3 . 1 1 2 2 PRO HD2 H 1 3.522 0.002 . 1 . 2149 . A 2 PRO HD2 . 19508 1 4 . 1 1 2 2 PRO HD3 H 1 3.522 0.002 . 1 . 2151 . A 2 PRO HD3 . 19508 1 5 . 1 1 2 2 PRO C C 13 176.927 . . 1 . 2156 . A 2 PRO C . 19508 1 6 . 1 1 2 2 PRO CG C 13 27.052 0.003 . 1 . 2266 . A 2 PRO CG . 19508 1 7 . 1 1 2 2 PRO CD C 13 49.607 0.018 . 1 . 2150 . A 2 PRO CD . 19508 1 8 . 1 1 3 3 LEU H H 1 8.461 0.001 . 1 . 21 . A 3 LEU H . 19508 1 9 . 1 1 3 3 LEU HA H 1 4.309 0.002 . 1 . 1519 . A 3 LEU HA . 19508 1 10 . 1 1 3 3 LEU HB2 H 1 1.585 0.02 . 2 . 1521 . A 3 LEU HB2 . 19508 1 11 . 1 1 3 3 LEU HB3 H 1 1.655 0.02 . 2 . 1522 . A 3 LEU HB3 . 19508 1 12 . 1 1 3 3 LEU HD11 H 1 0.918 0.003 . 2 . 2309 . A 3 LEU HD11 . 19508 1 13 . 1 1 3 3 LEU HD12 H 1 0.918 0.003 . 2 . 2309 . A 3 LEU HD12 . 19508 1 14 . 1 1 3 3 LEU HD13 H 1 0.918 0.003 . 2 . 2309 . A 3 LEU HD13 . 19508 1 15 . 1 1 3 3 LEU HD21 H 1 0.870 0.001 . 2 . 2310 . A 3 LEU HD21 . 19508 1 16 . 1 1 3 3 LEU HD22 H 1 0.870 0.001 . 2 . 2310 . A 3 LEU HD22 . 19508 1 17 . 1 1 3 3 LEU HD23 H 1 0.870 0.001 . 2 . 2310 . A 3 LEU HD23 . 19508 1 18 . 1 1 3 3 LEU C C 13 177.798 . . 1 . 2155 . A 3 LEU C . 19508 1 19 . 1 1 3 3 LEU CA C 13 55.500 0.072 . 1 . 1502 . A 3 LEU CA . 19508 1 20 . 1 1 3 3 LEU CB C 13 42.110 0.043 . 1 . 1520 . A 3 LEU CB . 19508 1 21 . 1 1 3 3 LEU CD1 C 13 24.864 0.007 . 2 . 2308 . A 3 LEU CD1 . 19508 1 22 . 1 1 3 3 LEU CD2 C 13 23.489 0.013 . 2 . 2311 . A 3 LEU CD2 . 19508 1 23 . 1 1 3 3 LEU N N 15 122.440 0.018 . 1 . 22 . A 3 LEU N . 19508 1 24 . 1 1 4 4 GLY H H 1 8.362 0.001 . 1 . 63 . A 4 GLY H . 19508 1 25 . 1 1 4 4 GLY HA2 H 1 3.960 0.02 . 1 . 1523 . A 4 GLY HA2 . 19508 1 26 . 1 1 4 4 GLY HA3 H 1 3.960 0.02 . 1 . 1524 . A 4 GLY HA3 . 19508 1 27 . 1 1 4 4 GLY C C 13 173.722 . . 1 . 1511 . A 4 GLY C . 19508 1 28 . 1 1 4 4 GLY CA C 13 45.281 0.013 . 1 . 1489 . A 4 GLY CA . 19508 1 29 . 1 1 4 4 GLY N N 15 110.100 0.003 . 1 . 64 . A 4 GLY N . 19508 1 30 . 1 1 5 5 SER H H 1 8.140 0.001 . 1 . 189 . A 5 SER H . 19508 1 31 . 1 1 5 5 SER N N 15 117.132 0.009 . 1 . 190 . A 5 SER N . 19508 1 32 . 1 1 6 6 PRO HA H 1 4.368 0.003 . 1 . 1518 . A 6 PRO HA . 19508 1 33 . 1 1 6 6 PRO C C 13 176.615 . . 1 . 2154 . A 6 PRO C . 19508 1 34 . 1 1 6 6 PRO CA C 13 63.559 0.09 . 1 . 1517 . A 6 PRO CA . 19508 1 35 . 1 1 7 7 GLU H H 1 8.363 0.006 . 1 . 61 . A 7 GLU H . 19508 1 36 . 1 1 7 7 GLU HA H 1 4.253 0.004 . 1 . 1513 . A 7 GLU HA . 19508 1 37 . 1 1 7 7 GLU HB2 H 1 1.930 0.02 . 1 . 1515 . A 7 GLU HB2 . 19508 1 38 . 1 1 7 7 GLU HB3 H 1 1.930 0.02 . 1 . 1514 . A 7 GLU HB3 . 19508 1 39 . 1 1 7 7 GLU C C 13 175.034 . . 1 . 2153 . A 7 GLU C . 19508 1 40 . 1 1 7 7 GLU CA C 13 56.605 0.085 . 1 . 1488 . A 7 GLU CA . 19508 1 41 . 1 1 7 7 GLU CB C 13 30.296 0.031 . 1 . 1516 . A 7 GLU CB . 19508 1 42 . 1 1 7 7 GLU N N 15 120.183 0.023 . 1 . 62 . A 7 GLU N . 19508 1 43 . 1 1 8 8 PHE H H 1 7.862 0.021 . 1 . 101 . A 8 PHE H . 19508 1 44 . 1 1 8 8 PHE HA H 1 5.174 0.005 . 1 . 1529 . A 8 PHE HA . 19508 1 45 . 1 1 8 8 PHE HB2 H 1 2.842 0.003 . 2 . 1533 . A 8 PHE HB2 . 19508 1 46 . 1 1 8 8 PHE HB3 H 1 3.125 0.004 . 2 . 1531 . A 8 PHE HB3 . 19508 1 47 . 1 1 8 8 PHE HD1 H 1 7.213 0.008 . 3 . 1530 . A 8 PHE HD1 . 19508 1 48 . 1 1 8 8 PHE HD2 H 1 7.213 0.008 . 3 . 1530 . A 8 PHE HD2 . 19508 1 49 . 1 1 8 8 PHE C C 13 174.747 . . 1 . 2157 . A 8 PHE C . 19508 1 50 . 1 1 8 8 PHE CA C 13 56.975 0.082 . 1 . 1487 . A 8 PHE CA . 19508 1 51 . 1 1 8 8 PHE CB C 13 41.854 0.04 . 1 . 1532 . A 8 PHE CB . 19508 1 52 . 1 1 8 8 PHE N N 15 122.573 0.017 . 1 . 102 . A 8 PHE N . 19508 1 53 . 1 1 9 9 MET H H 1 7.824 0.005 . 1 . 170 . A 9 MET H . 19508 1 54 . 1 1 9 9 MET HA H 1 4.073 0.004 . 1 . 1535 . A 9 MET HA . 19508 1 55 . 1 1 9 9 MET HB2 H 1 1.352 0.005 . 2 . 1538 . A 9 MET HB2 . 19508 1 56 . 1 1 9 9 MET HB3 H 1 1.022 0.004 . 2 . 1537 . A 9 MET HB3 . 19508 1 57 . 1 1 9 9 MET HG2 H 1 0.986 0.01 . 1 . 1542 . A 9 MET HG2 . 19508 1 58 . 1 1 9 9 MET HG3 H 1 0.986 0.01 . 1 . 1541 . A 9 MET HG3 . 19508 1 59 . 1 1 9 9 MET HE1 H 1 0.952 0.002 . 1 . 2288 . A 9 MET HE1 . 19508 1 60 . 1 1 9 9 MET HE2 H 1 0.952 0.002 . 1 . 2288 . A 9 MET HE2 . 19508 1 61 . 1 1 9 9 MET HE3 H 1 0.952 0.002 . 1 . 2288 . A 9 MET HE3 . 19508 1 62 . 1 1 9 9 MET C C 13 171.163 . . 1 . 2158 . A 9 MET C . 19508 1 63 . 1 1 9 9 MET CA C 13 54.666 0.079 . 1 . 1534 . A 9 MET CA . 19508 1 64 . 1 1 9 9 MET CB C 13 34.935 0.064 . 1 . 1536 . A 9 MET CB . 19508 1 65 . 1 1 9 9 MET CG C 13 31.601 0.029 . 1 . 1540 . A 9 MET CG . 19508 1 66 . 1 1 9 9 MET CE C 13 16.420 0.013 . 1 . 2289 . A 9 MET CE . 19508 1 67 . 1 1 9 9 MET N N 15 127.566 0.029 . 1 . 171 . A 9 MET N . 19508 1 68 . 1 1 10 10 GLU H H 1 7.673 0.005 . 1 . 25 . A 10 GLU H . 19508 1 69 . 1 1 10 10 GLU HA H 1 5.587 0.007 . 1 . 1528 . A 10 GLU HA . 19508 1 70 . 1 1 10 10 GLU HB2 H 1 1.884 0.005 . 2 . 1545 . A 10 GLU HB2 . 19508 1 71 . 1 1 10 10 GLU HB3 H 1 2.019 0.005 . 2 . 1543 . A 10 GLU HB3 . 19508 1 72 . 1 1 10 10 GLU HG2 H 1 2.384 0.007 . 2 . 1547 . A 10 GLU HG2 . 19508 1 73 . 1 1 10 10 GLU HG3 H 1 2.193 0.005 . 2 . 1548 . A 10 GLU HG3 . 19508 1 74 . 1 1 10 10 GLU C C 13 174.834 . . 1 . 2159 . A 10 GLU C . 19508 1 75 . 1 1 10 10 GLU CA C 13 53.420 0.064 . 1 . 1486 . A 10 GLU CA . 19508 1 76 . 1 1 10 10 GLU CB C 13 32.552 0.055 . 1 . 1544 . A 10 GLU CB . 19508 1 77 . 1 1 10 10 GLU CG C 13 34.486 0.063 . 1 . 1546 . A 10 GLU CG . 19508 1 78 . 1 1 10 10 GLU N N 15 118.934 0.025 . 1 . 26 . A 10 GLU N . 19508 1 79 . 1 1 11 11 GLY H H 1 7.960 0.001 . 1 . 113 . A 11 GLY H . 19508 1 80 . 1 1 11 11 GLY HA2 H 1 4.349 0.007 . 2 . 1549 . A 11 GLY HA2 . 19508 1 81 . 1 1 11 11 GLY HA3 H 1 3.071 0.006 . 2 . 1550 . A 11 GLY HA3 . 19508 1 82 . 1 1 11 11 GLY C C 13 170.871 . . 1 . 2160 . A 11 GLY C . 19508 1 83 . 1 1 11 11 GLY CA C 13 45.112 0.062 . 1 . 1485 . A 11 GLY CA . 19508 1 84 . 1 1 11 11 GLY N N 15 108.503 0.005 . 1 . 114 . A 11 GLY N . 19508 1 85 . 1 1 12 12 VAL H H 1 8.423 0.002 . 1 . 99 . A 12 VAL H . 19508 1 86 . 1 1 12 12 VAL HA H 1 4.389 0.02 . 1 . 1556 . A 12 VAL HA . 19508 1 87 . 1 1 12 12 VAL HB H 1 2.048 0.006 . 1 . 1553 . A 12 VAL HB . 19508 1 88 . 1 1 12 12 VAL HG11 H 1 1.358 0.002 . 2 . 1559 . A 12 VAL HG11 . 19508 1 89 . 1 1 12 12 VAL HG12 H 1 1.358 0.002 . 2 . 1559 . A 12 VAL HG12 . 19508 1 90 . 1 1 12 12 VAL HG13 H 1 1.358 0.002 . 2 . 1559 . A 12 VAL HG13 . 19508 1 91 . 1 1 12 12 VAL HG21 H 1 0.761 0.002 . 2 . 1554 . A 12 VAL HG21 . 19508 1 92 . 1 1 12 12 VAL HG22 H 1 0.761 0.002 . 2 . 1554 . A 12 VAL HG22 . 19508 1 93 . 1 1 12 12 VAL HG23 H 1 0.761 0.002 . 2 . 1554 . A 12 VAL HG23 . 19508 1 94 . 1 1 12 12 VAL C C 13 177.803 . . 1 . 2161 . A 12 VAL C . 19508 1 95 . 1 1 12 12 VAL CA C 13 62.456 0.002 . 1 . 1484 . A 12 VAL CA . 19508 1 96 . 1 1 12 12 VAL CB C 13 33.166 0.024 . 1 . 1555 . A 12 VAL CB . 19508 1 97 . 1 1 12 12 VAL CG1 C 13 22.670 0.029 . 2 . 1558 . A 12 VAL CG1 . 19508 1 98 . 1 1 12 12 VAL CG2 C 13 20.788 0.032 . 2 . 1557 . A 12 VAL CG2 . 19508 1 99 . 1 1 12 12 VAL N N 15 119.772 0.006 . 1 . 100 . A 12 VAL N . 19508 1 100 . 1 1 13 13 LEU H H 1 8.629 0.004 . 1 . 133 . A 13 LEU H . 19508 1 101 . 1 1 13 13 LEU HA H 1 4.358 0.007 . 1 . 1563 . A 13 LEU HA . 19508 1 102 . 1 1 13 13 LEU HB2 H 1 1.055 0.007 . 2 . 1566 . A 13 LEU HB2 . 19508 1 103 . 1 1 13 13 LEU HB3 H 1 0.509 0.004 . 2 . 1567 . A 13 LEU HB3 . 19508 1 104 . 1 1 13 13 LEU HG H 1 0.633 0.006 . 1 . 1569 . A 13 LEU HG . 19508 1 105 . 1 1 13 13 LEU HD11 H 1 0.203 0.004 . 2 . 1571 . A 13 LEU HD11 . 19508 1 106 . 1 1 13 13 LEU HD12 H 1 0.203 0.004 . 2 . 1571 . A 13 LEU HD12 . 19508 1 107 . 1 1 13 13 LEU HD13 H 1 0.203 0.004 . 2 . 1571 . A 13 LEU HD13 . 19508 1 108 . 1 1 13 13 LEU HD21 H 1 -1.331 0.004 . 2 . 1564 . A 13 LEU HD21 . 19508 1 109 . 1 1 13 13 LEU HD22 H 1 -1.331 0.004 . 2 . 1564 . A 13 LEU HD22 . 19508 1 110 . 1 1 13 13 LEU HD23 H 1 -1.331 0.004 . 2 . 1564 . A 13 LEU HD23 . 19508 1 111 . 1 1 13 13 LEU C C 13 175.356 . . 1 . 2162 . A 13 LEU C . 19508 1 112 . 1 1 13 13 LEU CA C 13 54.191 0.071 . 1 . 1483 . A 13 LEU CA . 19508 1 113 . 1 1 13 13 LEU CB C 13 46.411 0.046 . 1 . 1565 . A 13 LEU CB . 19508 1 114 . 1 1 13 13 LEU CG C 13 26.271 0.011 . 1 . 1568 . A 13 LEU CG . 19508 1 115 . 1 1 13 13 LEU CD1 C 13 23.494 0.04 . 2 . 1572 . A 13 LEU CD1 . 19508 1 116 . 1 1 13 13 LEU CD2 C 13 23.209 0.042 . 2 . 1570 . A 13 LEU CD2 . 19508 1 117 . 1 1 13 13 LEU N N 15 126.035 0.01 . 1 . 134 . A 13 LEU N . 19508 1 118 . 1 1 14 14 TYR H H 1 9.012 0.008 . 1 . 125 . A 14 TYR H . 19508 1 119 . 1 1 14 14 TYR HA H 1 4.992 0.007 . 1 . 1575 . A 14 TYR HA . 19508 1 120 . 1 1 14 14 TYR HB2 H 1 2.771 0.005 . 2 . 1574 . A 14 TYR HB2 . 19508 1 121 . 1 1 14 14 TYR HB3 H 1 3.040 0.005 . 2 . 1576 . A 14 TYR HB3 . 19508 1 122 . 1 1 14 14 TYR HD1 H 1 6.782 0.015 . 3 . 2276 . A 14 TYR HD1 . 19508 1 123 . 1 1 14 14 TYR HD2 H 1 6.782 0.015 . 3 . 2276 . A 14 TYR HD2 . 19508 1 124 . 1 1 14 14 TYR C C 13 174.995 . . 1 . 2163 . A 14 TYR C . 19508 1 125 . 1 1 14 14 TYR CA C 13 57.627 0.003 . 1 . 1480 . A 14 TYR CA . 19508 1 126 . 1 1 14 14 TYR CB C 13 39.433 0.08 . 1 . 1573 . A 14 TYR CB . 19508 1 127 . 1 1 14 14 TYR N N 15 119.274 0.006 . 1 . 126 . A 14 TYR N . 19508 1 128 . 1 1 15 15 LYS H H 1 9.510 0.005 . 1 . 46 . A 15 LYS H . 19508 1 129 . 1 1 15 15 LYS HA H 1 5.468 0.005 . 1 . 1577 . A 15 LYS HA . 19508 1 130 . 1 1 15 15 LYS HB2 H 1 1.457 0.011 . 2 . 1580 . A 15 LYS HB2 . 19508 1 131 . 1 1 15 15 LYS HB3 H 1 1.702 0.005 . 2 . 1579 . A 15 LYS HB3 . 19508 1 132 . 1 1 15 15 LYS HG2 H 1 1.299 0.008 . 1 . 1582 . A 15 LYS HG2 . 19508 1 133 . 1 1 15 15 LYS HG3 H 1 1.299 0.008 . 1 . 1583 . A 15 LYS HG3 . 19508 1 134 . 1 1 15 15 LYS HD2 H 1 0.895 0.005 . 2 . 1585 . A 15 LYS HD2 . 19508 1 135 . 1 1 15 15 LYS HD3 H 1 1.114 0.009 . 2 . 1586 . A 15 LYS HD3 . 19508 1 136 . 1 1 15 15 LYS HE2 H 1 2.230 0.003 . 2 . 1588 . A 15 LYS HE2 . 19508 1 137 . 1 1 15 15 LYS HE3 H 1 2.098 0.002 . 2 . 1587 . A 15 LYS HE3 . 19508 1 138 . 1 1 15 15 LYS C C 13 175.828 . . 1 . 2164 . A 15 LYS C . 19508 1 139 . 1 1 15 15 LYS CA C 13 54.120 0.103 . 1 . 1481 . A 15 LYS CA . 19508 1 140 . 1 1 15 15 LYS CB C 13 37.214 0.057 . 1 . 1578 . A 15 LYS CB . 19508 1 141 . 1 1 15 15 LYS CG C 13 24.794 0.021 . 1 . 1581 . A 15 LYS CG . 19508 1 142 . 1 1 15 15 LYS CD C 13 29.530 0.05 . 1 . 1584 . A 15 LYS CD . 19508 1 143 . 1 1 15 15 LYS CE C 13 41.913 0.038 . 1 . 1589 . A 15 LYS CE . 19508 1 144 . 1 1 15 15 LYS N N 15 124.274 0.017 . 1 . 47 . A 15 LYS N . 19508 1 145 . 1 1 16 16 TRP H H 1 8.297 0.004 . 1 . 50 . A 16 TRP H . 19508 1 146 . 1 1 16 16 TRP HA H 1 3.851 0.009 . 1 . 1590 . A 16 TRP HA . 19508 1 147 . 1 1 16 16 TRP HB2 H 1 2.695 0.008 . 2 . 1592 . A 16 TRP HB2 . 19508 1 148 . 1 1 16 16 TRP HB3 H 1 1.448 0.005 . 2 . 1593 . A 16 TRP HB3 . 19508 1 149 . 1 1 16 16 TRP HE1 H 1 9.796 0.002 . 1 . 1604 . A 16 TRP HE1 . 19508 1 150 . 1 1 16 16 TRP HE3 H 1 5.417 0.02 . 1 . 2271 . A 16 TRP HE3 . 19508 1 151 . 1 1 16 16 TRP HZ2 H 1 6.620 0.02 . 1 . 2260 . A 16 TRP HZ2 . 19508 1 152 . 1 1 16 16 TRP HH2 H 1 6.862 0.02 . 1 . 1612 . A 16 TRP HH2 . 19508 1 153 . 1 1 16 16 TRP C C 13 175.958 . . 1 . 2165 . A 16 TRP C . 19508 1 154 . 1 1 16 16 TRP CA C 13 57.958 0.078 . 1 . 1482 . A 16 TRP CA . 19508 1 155 . 1 1 16 16 TRP CB C 13 29.329 0.076 . 1 . 1591 . A 16 TRP CB . 19508 1 156 . 1 1 16 16 TRP N N 15 129.372 0.015 . 1 . 51 . A 16 TRP N . 19508 1 157 . 1 1 16 16 TRP NE1 N 15 129.378 . . 1 . 45 . A 16 TRP NE1 . 19508 1 158 . 1 1 17 17 THR H H 1 6.741 0.006 . 1 . 2329 . A 17 THR H . 19508 1 159 . 1 1 17 17 THR HA H 1 4.097 0.003 . 1 . 1594 . A 17 THR HA . 19508 1 160 . 1 1 17 17 THR HB H 1 3.824 0.001 . 1 . 1596 . A 17 THR HB . 19508 1 161 . 1 1 17 17 THR HG21 H 1 1.031 0.003 . 1 . 1597 . A 17 THR HG21 . 19508 1 162 . 1 1 17 17 THR HG22 H 1 1.031 0.003 . 1 . 1597 . A 17 THR HG22 . 19508 1 163 . 1 1 17 17 THR HG23 H 1 1.031 0.003 . 1 . 1597 . A 17 THR HG23 . 19508 1 164 . 1 1 17 17 THR CA C 13 61.412 0.061 . 1 . 1595 . A 17 THR CA . 19508 1 165 . 1 1 17 17 THR CB C 13 69.375 0.064 . 1 . 1598 . A 17 THR CB . 19508 1 166 . 1 1 17 17 THR CG2 C 13 21.443 0.036 . 1 . 1599 . A 17 THR CG2 . 19508 1 167 . 1 1 17 17 THR N N 15 121.104 0.016 . 1 . 2328 . A 17 THR N . 19508 1 168 . 1 1 18 18 ASN H H 1 7.343 0.001 . 1 . 201 . A 18 ASN H . 19508 1 169 . 1 1 18 18 ASN HA H 1 4.002 0.006 . 1 . 1603 . A 18 ASN HA . 19508 1 170 . 1 1 18 18 ASN HB2 H 1 2.940 0.02 . 2 . 1607 . A 18 ASN HB2 . 19508 1 171 . 1 1 18 18 ASN HB3 H 1 2.878 0.02 . 2 . 1605 . A 18 ASN HB3 . 19508 1 172 . 1 1 18 18 ASN HD21 H 1 6.740 0.02 . 1 . 69 . A 18 ASN HD21 . 19508 1 173 . 1 1 18 18 ASN HD22 H 1 7.502 0.02 . 1 . 135 . A 18 ASN HD22 . 19508 1 174 . 1 1 18 18 ASN CA C 13 52.069 0.053 . 1 . 1602 . A 18 ASN CA . 19508 1 175 . 1 1 18 18 ASN CB C 13 39.292 0.01 . 1 . 1606 . A 18 ASN CB . 19508 1 176 . 1 1 18 18 ASN N N 15 115.691 0.002 . 1 . 202 . A 18 ASN N . 19508 1 177 . 1 1 18 18 ASN ND2 N 15 114.811 0.002 . 1 . 70 . A 18 ASN ND2 . 19508 1 178 . 1 1 19 19 TYR H H 1 8.291 0.02 . 1 . 2351 . A 19 TYR H . 19508 1 179 . 1 1 19 19 TYR HA H 1 4.268 0.004 . 1 . 1609 . A 19 TYR HA . 19508 1 180 . 1 1 19 19 TYR HB2 H 1 3.143 0.008 . 1 . 1611 . A 19 TYR HB2 . 19508 1 181 . 1 1 19 19 TYR HB3 H 1 3.143 0.008 . 1 . 1610 . A 19 TYR HB3 . 19508 1 182 . 1 1 19 19 TYR HE1 H 1 6.877 0.02 . 3 . 2282 . A 19 TYR HE1 . 19508 1 183 . 1 1 19 19 TYR HE2 H 1 6.877 0.02 . 3 . 2282 . A 19 TYR HE2 . 19508 1 184 . 1 1 19 19 TYR C C 13 176.094 . . 1 . 2166 . A 19 TYR C . 19508 1 185 . 1 1 19 19 TYR CA C 13 60.745 0.1 . 1 . 1608 . A 19 TYR CA . 19508 1 186 . 1 1 19 19 TYR CB C 13 37.868 0.029 . 1 . 1613 . A 19 TYR CB . 19508 1 187 . 1 1 19 19 TYR N N 15 115.718 . . 1 . 2352 . A 19 TYR N . 19508 1 188 . 1 1 20 20 LEU H H 1 7.831 0.005 . 1 . 2292 . A 20 LEU H . 19508 1 189 . 1 1 20 20 LEU HA H 1 4.073 0.003 . 1 . 1614 . A 20 LEU HA . 19508 1 190 . 1 1 20 20 LEU HB2 H 1 1.425 0.002 . 2 . 1615 . A 20 LEU HB2 . 19508 1 191 . 1 1 20 20 LEU HB3 H 1 1.513 0.003 . 2 . 1616 . A 20 LEU HB3 . 19508 1 192 . 1 1 20 20 LEU HG H 1 1.154 0.004 . 1 . 1618 . A 20 LEU HG . 19508 1 193 . 1 1 20 20 LEU HD11 H 1 0.756 0.002 . 2 . 1621 . A 20 LEU HD11 . 19508 1 194 . 1 1 20 20 LEU HD12 H 1 0.756 0.002 . 2 . 1621 . A 20 LEU HD12 . 19508 1 195 . 1 1 20 20 LEU HD13 H 1 0.756 0.002 . 2 . 1621 . A 20 LEU HD13 . 19508 1 196 . 1 1 20 20 LEU HD21 H 1 0.796 0.001 . 2 . 1622 . A 20 LEU HD21 . 19508 1 197 . 1 1 20 20 LEU HD22 H 1 0.796 0.001 . 2 . 1622 . A 20 LEU HD22 . 19508 1 198 . 1 1 20 20 LEU HD23 H 1 0.796 0.001 . 2 . 1622 . A 20 LEU HD23 . 19508 1 199 . 1 1 20 20 LEU C C 13 178.735 . . 1 . 2167 . A 20 LEU C . 19508 1 200 . 1 1 20 20 LEU CA C 13 56.961 0.076 . 1 . 1490 . A 20 LEU CA . 19508 1 201 . 1 1 20 20 LEU CB C 13 41.913 0.028 . 1 . 1617 . A 20 LEU CB . 19508 1 202 . 1 1 20 20 LEU CG C 13 26.773 0.03 . 1 . 1619 . A 20 LEU CG . 19508 1 203 . 1 1 20 20 LEU CD1 C 13 23.783 0.02 . 2 . 1620 . A 20 LEU CD1 . 19508 1 204 . 1 1 20 20 LEU CD2 C 13 24.505 0.016 . 2 . 1623 . A 20 LEU CD2 . 19508 1 205 . 1 1 20 20 LEU N N 15 121.168 0.01 . 1 . 2293 . A 20 LEU N . 19508 1 206 . 1 1 21 21 THR H H 1 7.654 0.006 . 1 . 142 . A 21 THR H . 19508 1 207 . 1 1 21 21 THR HA H 1 4.139 0.012 . 1 . 1624 . A 21 THR HA . 19508 1 208 . 1 1 21 21 THR HB H 1 4.086 0.011 . 1 . 1626 . A 21 THR HB . 19508 1 209 . 1 1 21 21 THR HG21 H 1 1.038 0.004 . 1 . 1625 . A 21 THR HG21 . 19508 1 210 . 1 1 21 21 THR HG22 H 1 1.038 0.004 . 1 . 1625 . A 21 THR HG22 . 19508 1 211 . 1 1 21 21 THR HG23 H 1 1.038 0.004 . 1 . 1625 . A 21 THR HG23 . 19508 1 212 . 1 1 21 21 THR C C 13 175.828 . . 1 . 2168 . A 21 THR C . 19508 1 213 . 1 1 21 21 THR CA C 13 62.209 0.075 . 1 . 1491 . A 21 THR CA . 19508 1 214 . 1 1 21 21 THR CB C 13 69.227 0.059 . 1 . 1627 . A 21 THR CB . 19508 1 215 . 1 1 21 21 THR CG2 C 13 22.087 0.077 . 1 . 1628 . A 21 THR CG2 . 19508 1 216 . 1 1 21 21 THR N N 15 108.546 0.007 . 1 . 143 . A 21 THR N . 19508 1 217 . 1 1 22 22 GLY H H 1 7.665 0.003 . 1 . 75 . A 22 GLY H . 19508 1 218 . 1 1 22 22 GLY HA2 H 1 2.786 0.007 . 2 . 1629 . A 22 GLY HA2 . 19508 1 219 . 1 1 22 22 GLY HA3 H 1 3.691 0.005 . 2 . 1630 . A 22 GLY HA3 . 19508 1 220 . 1 1 22 22 GLY C C 13 175.116 . . 1 . 2169 . A 22 GLY C . 19508 1 221 . 1 1 22 22 GLY CA C 13 46.127 0.08 . 1 . 1492 . A 22 GLY CA . 19508 1 222 . 1 1 22 22 GLY N N 15 110.186 0.008 . 1 . 76 . A 22 GLY N . 19508 1 223 . 1 1 23 23 TRP H H 1 8.811 0.004 . 1 . 52 . A 23 TRP H . 19508 1 224 . 1 1 23 23 TRP HB2 H 1 3.233 0.001 . 2 . 1631 . A 23 TRP HB2 . 19508 1 225 . 1 1 23 23 TRP HB3 H 1 3.018 0.006 . 2 . 1633 . A 23 TRP HB3 . 19508 1 226 . 1 1 23 23 TRP HE1 H 1 10.272 0.02 . 1 . 97 . A 23 TRP HE1 . 19508 1 227 . 1 1 23 23 TRP HH2 H 1 6.783 0.007 . 1 . 2264 . A 23 TRP HH2 . 19508 1 228 . 1 1 23 23 TRP C C 13 176.536 . . 1 . 2170 . A 23 TRP C . 19508 1 229 . 1 1 23 23 TRP CA C 13 57.055 0.015 . 1 . 1493 . A 23 TRP CA . 19508 1 230 . 1 1 23 23 TRP CB C 13 29.802 0.032 . 1 . 1632 . A 23 TRP CB . 19508 1 231 . 1 1 23 23 TRP N N 15 127.302 0.012 . 1 . 53 . A 23 TRP N . 19508 1 232 . 1 1 23 23 TRP NE1 N 15 130.901 . . 1 . 98 . A 23 TRP NE1 . 19508 1 233 . 1 1 24 24 GLN H H 1 8.899 0.002 . 1 . 176 . A 24 GLN H . 19508 1 234 . 1 1 24 24 GLN HA H 1 5.155 0.008 . 1 . 1635 . A 24 GLN HA . 19508 1 235 . 1 1 24 24 GLN HB2 H 1 2.188 0.004 . 2 . 1637 . A 24 GLN HB2 . 19508 1 236 . 1 1 24 24 GLN HB3 H 1 1.697 0.008 . 2 . 1638 . A 24 GLN HB3 . 19508 1 237 . 1 1 24 24 GLN HG2 H 1 2.297 0.003 . 2 . 1600 . A 24 GLN HG2 . 19508 1 238 . 1 1 24 24 GLN HG3 H 1 1.704 0.02 . 2 . 1601 . A 24 GLN HG3 . 19508 1 239 . 1 1 24 24 GLN HE21 H 1 6.962 0.02 . 1 . 43 . A 24 GLN HE21 . 19508 1 240 . 1 1 24 24 GLN HE22 H 1 7.741 0.02 . 1 . 103 . A 24 GLN HE22 . 19508 1 241 . 1 1 24 24 GLN CA C 13 52.347 0.051 . 1 . 1634 . A 24 GLN CA . 19508 1 242 . 1 1 24 24 GLN CB C 13 31.409 0.03 . 1 . 1639 . A 24 GLN CB . 19508 1 243 . 1 1 24 24 GLN CG C 13 33.305 0.048 . 1 . 1640 . A 24 GLN CG . 19508 1 244 . 1 1 24 24 GLN N N 15 122.955 0.007 . 1 . 177 . A 24 GLN N . 19508 1 245 . 1 1 24 24 GLN NE2 N 15 113.841 0.003 . 1 . 44 . A 24 GLN NE2 . 19508 1 246 . 1 1 25 25 PRO HA H 1 4.171 0.008 . 1 . 1644 . A 25 PRO HA . 19508 1 247 . 1 1 25 25 PRO HB2 H 1 1.863 0.005 . 2 . 1643 . A 25 PRO HB2 . 19508 1 248 . 1 1 25 25 PRO HB3 H 1 1.549 0.006 . 2 . 1645 . A 25 PRO HB3 . 19508 1 249 . 1 1 25 25 PRO HG2 H 1 2.333 0.003 . 2 . 1648 . A 25 PRO HG2 . 19508 1 250 . 1 1 25 25 PRO HG3 H 1 2.141 0.008 . 2 . 1647 . A 25 PRO HG3 . 19508 1 251 . 1 1 25 25 PRO HD2 H 1 3.975 0.005 . 2 . 1636 . A 25 PRO HD2 . 19508 1 252 . 1 1 25 25 PRO HD3 H 1 3.875 0.006 . 2 . 1651 . A 25 PRO HD3 . 19508 1 253 . 1 1 25 25 PRO C C 13 176.873 . . 1 . 2171 . A 25 PRO C . 19508 1 254 . 1 1 25 25 PRO CA C 13 62.919 0.031 . 1 . 1642 . A 25 PRO CA . 19508 1 255 . 1 1 25 25 PRO CB C 13 31.421 0.045 . 1 . 1646 . A 25 PRO CB . 19508 1 256 . 1 1 25 25 PRO CG C 13 26.999 0.036 . 1 . 1649 . A 25 PRO CG . 19508 1 257 . 1 1 25 25 PRO CD C 13 50.498 0.056 . 1 . 1650 . A 25 PRO CD . 19508 1 258 . 1 1 26 26 ARG H H 1 9.011 0.002 . 1 . 147 . A 26 ARG H . 19508 1 259 . 1 1 26 26 ARG HB2 H 1 1.833 0.005 . 2 . 1653 . A 26 ARG HB2 . 19508 1 260 . 1 1 26 26 ARG HB3 H 1 1.687 0.016 . 2 . 1654 . A 26 ARG HB3 . 19508 1 261 . 1 1 26 26 ARG HG3 H 1 1.355 0.006 . 1 . 1655 . A 26 ARG HG3 . 19508 1 262 . 1 1 26 26 ARG HD2 H 1 3.032 0.012 . 2 . 1657 . A 26 ARG HD2 . 19508 1 263 . 1 1 26 26 ARG HD3 H 1 3.663 0.001 . 2 . 1659 . A 26 ARG HD3 . 19508 1 264 . 1 1 26 26 ARG C C 13 173.109 . . 1 . 2172 . A 26 ARG C . 19508 1 265 . 1 1 26 26 ARG CA C 13 53.342 0.006 . 1 . 1494 . A 26 ARG CA . 19508 1 266 . 1 1 26 26 ARG CB C 13 34.104 0.02 . 1 . 1652 . A 26 ARG CB . 19508 1 267 . 1 1 26 26 ARG CG C 13 28.132 0.03 . 1 . 1656 . A 26 ARG CG . 19508 1 268 . 1 1 26 26 ARG CD C 13 43.596 0.058 . 1 . 1658 . A 26 ARG CD . 19508 1 269 . 1 1 26 26 ARG N N 15 123.809 0.015 . 1 . 148 . A 26 ARG N . 19508 1 270 . 1 1 27 27 TRP H H 1 8.351 0.001 . 1 . 1663 . A 27 TRP H . 19508 1 271 . 1 1 27 27 TRP HA H 1 5.053 0.002 . 1 . 1664 . A 27 TRP HA . 19508 1 272 . 1 1 27 27 TRP HB2 H 1 2.871 0.001 . 1 . 1662 . A 27 TRP HB2 . 19508 1 273 . 1 1 27 27 TRP HB3 H 1 2.871 0.001 . 1 . 1660 . A 27 TRP HB3 . 19508 1 274 . 1 1 27 27 TRP HD1 H 1 6.518 0.02 . 1 . 1676 . A 27 TRP HD1 . 19508 1 275 . 1 1 27 27 TRP HE1 H 1 10.351 0.002 . 1 . 37 . A 27 TRP HE1 . 19508 1 276 . 1 1 27 27 TRP HE3 H 1 7.528 0.011 . 1 . 1561 . A 27 TRP HE3 . 19508 1 277 . 1 1 27 27 TRP HZ2 H 1 7.314 0.02 . 1 . 2286 . A 27 TRP HZ2 . 19508 1 278 . 1 1 27 27 TRP HZ3 H 1 7.171 0.02 . 1 . 1560 . A 27 TRP HZ3 . 19508 1 279 . 1 1 27 27 TRP HH2 H 1 7.180 0.001 . 1 . 1551 . A 27 TRP HH2 . 19508 1 280 . 1 1 27 27 TRP C C 13 174.694 . . 1 . 2173 . A 27 TRP C . 19508 1 281 . 1 1 27 27 TRP CA C 13 56.241 0.067 . 1 . 1665 . A 27 TRP CA . 19508 1 282 . 1 1 27 27 TRP CB C 13 31.263 0.033 . 1 . 1661 . A 27 TRP CB . 19508 1 283 . 1 1 27 27 TRP N N 15 121.890 0.009 . 1 . 56 . A 27 TRP N . 19508 1 284 . 1 1 27 27 TRP NE1 N 15 129.465 . . 1 . 38 . A 27 TRP NE1 . 19508 1 285 . 1 1 28 28 PHE H H 1 9.003 0.004 . 1 . 1 . A 28 PHE H . 19508 1 286 . 1 1 28 28 PHE HA H 1 5.357 0.011 . 1 . 1666 . A 28 PHE HA . 19508 1 287 . 1 1 28 28 PHE HB2 H 1 2.697 0.008 . 2 . 1670 . A 28 PHE HB2 . 19508 1 288 . 1 1 28 28 PHE HB3 H 1 2.487 0.01 . 2 . 1668 . A 28 PHE HB3 . 19508 1 289 . 1 1 28 28 PHE HD1 H 1 6.949 0.023 . 3 . 2274 . A 28 PHE HD1 . 19508 1 290 . 1 1 28 28 PHE HD2 H 1 6.949 0.023 . 3 . 2274 . A 28 PHE HD2 . 19508 1 291 . 1 1 28 28 PHE HE1 H 1 6.854 0.02 . 3 . 2275 . A 28 PHE HE1 . 19508 1 292 . 1 1 28 28 PHE HE2 H 1 6.854 0.02 . 3 . 2275 . A 28 PHE HE2 . 19508 1 293 . 1 1 28 28 PHE C C 13 174.662 . . 1 . 2174 . A 28 PHE C . 19508 1 294 . 1 1 28 28 PHE CA C 13 56.761 0.067 . 1 . 1495 . A 28 PHE CA . 19508 1 295 . 1 1 28 28 PHE CB C 13 43.209 0.068 . 1 . 1669 . A 28 PHE CB . 19508 1 296 . 1 1 28 28 PHE N N 15 128.791 0.021 . 1 . 2 . A 28 PHE N . 19508 1 297 . 1 1 29 29 VAL H H 1 9.036 0.006 . 1 . 152 . A 29 VAL H . 19508 1 298 . 1 1 29 29 VAL HB H 1 2.236 0.004 . 1 . 1672 . A 29 VAL HB . 19508 1 299 . 1 1 29 29 VAL HG11 H 1 1.042 0.005 . 2 . 1677 . A 29 VAL HG11 . 19508 1 300 . 1 1 29 29 VAL HG12 H 1 1.042 0.005 . 2 . 1677 . A 29 VAL HG12 . 19508 1 301 . 1 1 29 29 VAL HG13 H 1 1.042 0.005 . 2 . 1677 . A 29 VAL HG13 . 19508 1 302 . 1 1 29 29 VAL HG21 H 1 1.183 0.002 . 2 . 1674 . A 29 VAL HG21 . 19508 1 303 . 1 1 29 29 VAL HG22 H 1 1.183 0.002 . 2 . 1674 . A 29 VAL HG22 . 19508 1 304 . 1 1 29 29 VAL HG23 H 1 1.183 0.002 . 2 . 1674 . A 29 VAL HG23 . 19508 1 305 . 1 1 29 29 VAL C C 13 174.825 . . 1 . 2175 . A 29 VAL C . 19508 1 306 . 1 1 29 29 VAL CA C 13 61.832 0.004 . 1 . 1496 . A 29 VAL CA . 19508 1 307 . 1 1 29 29 VAL CB C 13 36.454 0.024 . 1 . 1671 . A 29 VAL CB . 19508 1 308 . 1 1 29 29 VAL CG1 C 13 22.122 0.037 . 2 . 1680 . A 29 VAL CG1 . 19508 1 309 . 1 1 29 29 VAL CG2 C 13 22.368 0.042 . 2 . 1675 . A 29 VAL CG2 . 19508 1 310 . 1 1 29 29 VAL N N 15 117.785 0.015 . 1 . 153 . A 29 VAL N . 19508 1 311 . 1 1 30 30 LEU H H 1 9.531 0.007 . 1 . 81 . A 30 LEU H . 19508 1 312 . 1 1 30 30 LEU HA H 1 5.283 0.004 . 1 . 1681 . A 30 LEU HA . 19508 1 313 . 1 1 30 30 LEU HB2 H 1 1.338 0.003 . 2 . 1683 . A 30 LEU HB2 . 19508 1 314 . 1 1 30 30 LEU HB3 H 1 1.894 0.006 . 2 . 1684 . A 30 LEU HB3 . 19508 1 315 . 1 1 30 30 LEU HG H 1 0.767 0.002 . 1 . 2336 . A 30 LEU HG . 19508 1 316 . 1 1 30 30 LEU HD11 H 1 0.819 0.003 . 1 . 1686 . A 30 LEU HD11 . 19508 1 317 . 1 1 30 30 LEU HD12 H 1 0.819 0.003 . 1 . 1686 . A 30 LEU HD12 . 19508 1 318 . 1 1 30 30 LEU HD13 H 1 0.819 0.003 . 1 . 1686 . A 30 LEU HD13 . 19508 1 319 . 1 1 30 30 LEU HD21 H 1 0.819 0.003 . 1 . 1688 . A 30 LEU HD21 . 19508 1 320 . 1 1 30 30 LEU HD22 H 1 0.819 0.003 . 1 . 1688 . A 30 LEU HD22 . 19508 1 321 . 1 1 30 30 LEU HD23 H 1 0.819 0.003 . 1 . 1688 . A 30 LEU HD23 . 19508 1 322 . 1 1 30 30 LEU C C 13 173.473 . . 1 . 2176 . A 30 LEU C . 19508 1 323 . 1 1 30 30 LEU CA C 13 53.255 0.064 . 1 . 1499 . A 30 LEU CA . 19508 1 324 . 1 1 30 30 LEU CB C 13 44.978 0.044 . 1 . 1685 . A 30 LEU CB . 19508 1 325 . 1 1 30 30 LEU CG C 13 26.990 0.051 . 1 . 2337 . A 30 LEU CG . 19508 1 326 . 1 1 30 30 LEU CD1 C 13 22.099 0.026 . 1 . 1687 . A 30 LEU CD1 . 19508 1 327 . 1 1 30 30 LEU CD2 C 13 22.099 0.026 . 1 . 1689 . A 30 LEU CD2 . 19508 1 328 . 1 1 30 30 LEU N N 15 132.216 0.011 . 1 . 82 . A 30 LEU N . 19508 1 329 . 1 1 31 31 ASP H H 1 8.488 0.004 . 1 . 104 . A 31 ASP H . 19508 1 330 . 1 1 31 31 ASP HA H 1 5.122 0.007 . 1 . 1690 . A 31 ASP HA . 19508 1 331 . 1 1 31 31 ASP HB2 H 1 2.799 0.007 . 1 . 1691 . A 31 ASP HB2 . 19508 1 332 . 1 1 31 31 ASP HB3 H 1 2.799 0.007 . 1 . 1693 . A 31 ASP HB3 . 19508 1 333 . 1 1 31 31 ASP C C 13 177.018 . . 1 . 2177 . A 31 ASP C . 19508 1 334 . 1 1 31 31 ASP CA C 13 53.744 0.069 . 1 . 1498 . A 31 ASP CA . 19508 1 335 . 1 1 31 31 ASP CB C 13 43.967 0.056 . 1 . 1692 . A 31 ASP CB . 19508 1 336 . 1 1 31 31 ASP N N 15 122.346 0.009 . 1 . 105 . A 31 ASP N . 19508 1 337 . 1 1 32 32 ASN H H 1 9.237 0.004 . 1 . 9 . A 32 ASN H . 19508 1 338 . 1 1 32 32 ASN HA H 1 4.389 0.004 . 1 . 1694 . A 32 ASN HA . 19508 1 339 . 1 1 32 32 ASN HB2 H 1 3.129 0.002 . 2 . 1696 . A 32 ASN HB2 . 19508 1 340 . 1 1 32 32 ASN HB3 H 1 2.628 0.003 . 2 . 1697 . A 32 ASN HB3 . 19508 1 341 . 1 1 32 32 ASN HD21 H 1 6.793 0.002 . 1 . 178 . A 32 ASN HD21 . 19508 1 342 . 1 1 32 32 ASN HD22 H 1 7.659 0.002 . 1 . 15 . A 32 ASN HD22 . 19508 1 343 . 1 1 32 32 ASN CA C 13 54.413 0.087 . 1 . 1497 . A 32 ASN CA . 19508 1 344 . 1 1 32 32 ASN CB C 13 37.862 0.045 . 1 . 1695 . A 32 ASN CB . 19508 1 345 . 1 1 32 32 ASN N N 15 125.904 0.019 . 1 . 10 . A 32 ASN N . 19508 1 346 . 1 1 32 32 ASN ND2 N 15 112.987 0.002 . 1 . 16 . A 32 ASN ND2 . 19508 1 347 . 1 1 33 33 GLY H H 1 9.027 0.007 . 1 . 23 . A 33 GLY H . 19508 1 348 . 1 1 33 33 GLY HA2 H 1 4.153 0.005 . 2 . 1699 . A 33 GLY HA2 . 19508 1 349 . 1 1 33 33 GLY HA3 H 1 3.562 0.004 . 2 . 1698 . A 33 GLY HA3 . 19508 1 350 . 1 1 33 33 GLY C C 13 173.274 . . 1 . 2178 . A 33 GLY C . 19508 1 351 . 1 1 33 33 GLY CA C 13 45.947 0.071 . 1 . 1430 . A 33 GLY CA . 19508 1 352 . 1 1 33 33 GLY N N 15 102.880 0.004 . 1 . 24 . A 33 GLY N . 19508 1 353 . 1 1 34 34 ILE H H 1 7.934 0.003 . 1 . 31 . A 34 ILE H . 19508 1 354 . 1 1 34 34 ILE HB H 1 2.111 0.003 . 1 . 1701 . A 34 ILE HB . 19508 1 355 . 1 1 34 34 ILE HG12 H 1 1.242 0.006 . 2 . 1705 . A 34 ILE HG12 . 19508 1 356 . 1 1 34 34 ILE HG13 H 1 1.536 0.003 . 2 . 1706 . A 34 ILE HG13 . 19508 1 357 . 1 1 34 34 ILE HG21 H 1 0.806 0.01 . 1 . 1708 . A 34 ILE HG21 . 19508 1 358 . 1 1 34 34 ILE HG22 H 1 0.806 0.01 . 1 . 1708 . A 34 ILE HG22 . 19508 1 359 . 1 1 34 34 ILE HG23 H 1 0.806 0.01 . 1 . 1708 . A 34 ILE HG23 . 19508 1 360 . 1 1 34 34 ILE HD11 H 1 0.862 0.002 . 1 . 1703 . A 34 ILE HD11 . 19508 1 361 . 1 1 34 34 ILE HD12 H 1 0.862 0.002 . 1 . 1703 . A 34 ILE HD12 . 19508 1 362 . 1 1 34 34 ILE HD13 H 1 0.862 0.002 . 1 . 1703 . A 34 ILE HD13 . 19508 1 363 . 1 1 34 34 ILE C C 13 174.755 . . 1 . 2179 . A 34 ILE C . 19508 1 364 . 1 1 34 34 ILE CA C 13 59.277 0.007 . 1 . 1431 . A 34 ILE CA . 19508 1 365 . 1 1 34 34 ILE CB C 13 39.293 0.019 . 1 . 1700 . A 34 ILE CB . 19508 1 366 . 1 1 34 34 ILE CG1 C 13 27.039 0.03 . 1 . 1704 . A 34 ILE CG1 . 19508 1 367 . 1 1 34 34 ILE CG2 C 13 17.466 0.017 . 1 . 1707 . A 34 ILE CG2 . 19508 1 368 . 1 1 34 34 ILE CD1 C 13 11.689 0.029 . 1 . 1702 . A 34 ILE CD1 . 19508 1 369 . 1 1 34 34 ILE N N 15 122.650 0.009 . 1 . 32 . A 34 ILE N . 19508 1 370 . 1 1 35 35 LEU H H 1 9.257 0.021 . 1 . 87 . A 35 LEU H . 19508 1 371 . 1 1 35 35 LEU HA H 1 5.430 0.005 . 1 . 1682 . A 35 LEU HA . 19508 1 372 . 1 1 35 35 LEU HB2 H 1 1.283 0.008 . 2 . 1709 . A 35 LEU HB2 . 19508 1 373 . 1 1 35 35 LEU HB3 H 1 2.098 0.004 . 2 . 1711 . A 35 LEU HB3 . 19508 1 374 . 1 1 35 35 LEU HG H 1 1.548 0.006 . 1 . 1713 . A 35 LEU HG . 19508 1 375 . 1 1 35 35 LEU HD11 H 1 1.124 0.003 . 2 . 1714 . A 35 LEU HD11 . 19508 1 376 . 1 1 35 35 LEU HD12 H 1 1.124 0.003 . 2 . 1714 . A 35 LEU HD12 . 19508 1 377 . 1 1 35 35 LEU HD13 H 1 1.124 0.003 . 2 . 1714 . A 35 LEU HD13 . 19508 1 378 . 1 1 35 35 LEU HD21 H 1 0.765 0.008 . 2 . 1717 . A 35 LEU HD21 . 19508 1 379 . 1 1 35 35 LEU HD22 H 1 0.765 0.008 . 2 . 1717 . A 35 LEU HD22 . 19508 1 380 . 1 1 35 35 LEU HD23 H 1 0.765 0.008 . 2 . 1717 . A 35 LEU HD23 . 19508 1 381 . 1 1 35 35 LEU C C 13 175.154 . . 1 . 2180 . A 35 LEU C . 19508 1 382 . 1 1 35 35 LEU CA C 13 53.223 0.078 . 1 . 1432 . A 35 LEU CA . 19508 1 383 . 1 1 35 35 LEU CB C 13 44.557 0.049 . 1 . 1710 . A 35 LEU CB . 19508 1 384 . 1 1 35 35 LEU CG C 13 27.671 0.026 . 1 . 1712 . A 35 LEU CG . 19508 1 385 . 1 1 35 35 LEU CD1 C 13 24.943 0.013 . 2 . 1715 . A 35 LEU CD1 . 19508 1 386 . 1 1 35 35 LEU CD2 C 13 26.145 0.045 . 2 . 1716 . A 35 LEU CD2 . 19508 1 387 . 1 1 35 35 LEU N N 15 132.274 0.014 . 1 . 88 . A 35 LEU N . 19508 1 388 . 1 1 36 36 SER H H 1 9.657 0.005 . 1 . 209 . A 36 SER H . 19508 1 389 . 1 1 36 36 SER HA H 1 5.377 0.006 . 1 . 1512 . A 36 SER HA . 19508 1 390 . 1 1 36 36 SER HB2 H 1 3.597 0.009 . 2 . 1720 . A 36 SER HB2 . 19508 1 391 . 1 1 36 36 SER HB3 H 1 3.816 0.005 . 2 . 1719 . A 36 SER HB3 . 19508 1 392 . 1 1 36 36 SER C C 13 171.941 . . 1 . 1505 . A 36 SER C . 19508 1 393 . 1 1 36 36 SER CA C 13 57.378 0.102 . 1 . 1433 . A 36 SER CA . 19508 1 394 . 1 1 36 36 SER CB C 13 66.081 0.07 . 1 . 1718 . A 36 SER CB . 19508 1 395 . 1 1 36 36 SER N N 15 123.850 0.016 . 1 . 210 . A 36 SER N . 19508 1 396 . 1 1 37 37 TYR H H 1 7.442 0.004 . 1 . 67 . A 37 TYR H . 19508 1 397 . 1 1 37 37 TYR HA H 1 5.647 0.005 . 1 . 1667 . A 37 TYR HA . 19508 1 398 . 1 1 37 37 TYR HB2 H 1 1.459 0.002 . 2 . 1723 . A 37 TYR HB2 . 19508 1 399 . 1 1 37 37 TYR HB3 H 1 1.692 0.004 . 2 . 1721 . A 37 TYR HB3 . 19508 1 400 . 1 1 37 37 TYR HD1 H 1 6.372 0.02 . 3 . 2277 . A 37 TYR HD1 . 19508 1 401 . 1 1 37 37 TYR HD2 H 1 6.372 0.02 . 3 . 2277 . A 37 TYR HD2 . 19508 1 402 . 1 1 37 37 TYR C C 13 172.754 . . 1 . 2181 . A 37 TYR C . 19508 1 403 . 1 1 37 37 TYR CA C 13 54.712 0.068 . 1 . 1434 . A 37 TYR CA . 19508 1 404 . 1 1 37 37 TYR CB C 13 39.725 0.061 . 1 . 1722 . A 37 TYR CB . 19508 1 405 . 1 1 37 37 TYR N N 15 115.856 0.009 . 1 . 68 . A 37 TYR N . 19508 1 406 . 1 1 38 38 TYR H H 1 9.079 0.012 . 1 . 156 . A 38 TYR H . 19508 1 407 . 1 1 38 38 TYR HB2 H 1 3.208 0.001 . 2 . 2279 . A 38 TYR HB2 . 19508 1 408 . 1 1 38 38 TYR HB3 H 1 2.801 0.006 . 2 . 2280 . A 38 TYR HB3 . 19508 1 409 . 1 1 38 38 TYR HD1 H 1 7.196 0.02 . 3 . 2281 . A 38 TYR HD1 . 19508 1 410 . 1 1 38 38 TYR HD2 H 1 7.196 0.02 . 3 . 2281 . A 38 TYR HD2 . 19508 1 411 . 1 1 38 38 TYR HE1 H 1 6.700 0.008 . 3 . 1673 . A 38 TYR HE1 . 19508 1 412 . 1 1 38 38 TYR HE2 H 1 6.700 0.008 . 3 . 1673 . A 38 TYR HE2 . 19508 1 413 . 1 1 38 38 TYR C C 13 175.765 . . 1 . 2182 . A 38 TYR C . 19508 1 414 . 1 1 38 38 TYR CA C 13 56.276 0.0 . 1 . 1435 . A 38 TYR CA . 19508 1 415 . 1 1 38 38 TYR CB C 13 43.323 0.028 . 1 . 2278 . A 38 TYR CB . 19508 1 416 . 1 1 38 38 TYR N N 15 118.122 0.012 . 1 . 157 . A 38 TYR N . 19508 1 417 . 1 1 39 39 ASP H H 1 9.455 0.001 . 1 . 27 . A 39 ASP H . 19508 1 418 . 1 1 39 39 ASP HA H 1 4.605 0.02 . 1 . 1726 . A 39 ASP HA . 19508 1 419 . 1 1 39 39 ASP HB2 H 1 2.711 0.007 . 1 . 1725 . A 39 ASP HB2 . 19508 1 420 . 1 1 39 39 ASP HB3 H 1 2.711 0.007 . 1 . 1724 . A 39 ASP HB3 . 19508 1 421 . 1 1 39 39 ASP C C 13 176.308 . . 1 . 2183 . A 39 ASP C . 19508 1 422 . 1 1 39 39 ASP CA C 13 58.335 0.041 . 1 . 1436 . A 39 ASP CA . 19508 1 423 . 1 1 39 39 ASP CB C 13 40.474 0.087 . 1 . 2262 . A 39 ASP CB . 19508 1 424 . 1 1 39 39 ASP N N 15 122.199 0.008 . 1 . 28 . A 39 ASP N . 19508 1 425 . 1 1 40 40 SER H H 1 7.482 0.003 . 1 . 136 . A 40 SER H . 19508 1 426 . 1 1 40 40 SER HA H 1 4.542 0.005 . 1 . 1727 . A 40 SER HA . 19508 1 427 . 1 1 40 40 SER HB2 H 1 3.905 0.001 . 2 . 1729 . A 40 SER HB2 . 19508 1 428 . 1 1 40 40 SER HB3 H 1 3.983 0.001 . 2 . 1728 . A 40 SER HB3 . 19508 1 429 . 1 1 40 40 SER C C 13 173.730 . . 1 . 2184 . A 40 SER C . 19508 1 430 . 1 1 40 40 SER CA C 13 57.306 0.091 . 1 . 1437 . A 40 SER CA . 19508 1 431 . 1 1 40 40 SER CB C 13 65.573 0.003 . 1 . 1730 . A 40 SER CB . 19508 1 432 . 1 1 40 40 SER N N 15 107.524 0.003 . 1 . 137 . A 40 SER N . 19508 1 433 . 1 1 41 41 GLN H H 1 8.808 0.002 . 1 . 197 . A 41 GLN H . 19508 1 434 . 1 1 41 41 GLN HA H 1 2.474 0.003 . 1 . 1731 . A 41 GLN HA . 19508 1 435 . 1 1 41 41 GLN HB2 H 1 0.185 0.006 . 2 . 1732 . A 41 GLN HB2 . 19508 1 436 . 1 1 41 41 GLN HB3 H 1 0.924 0.006 . 2 . 1734 . A 41 GLN HB3 . 19508 1 437 . 1 1 41 41 GLN HG2 H 1 1.576 0.002 . 2 . 1736 . A 41 GLN HG2 . 19508 1 438 . 1 1 41 41 GLN HG3 H 1 1.128 0.003 . 2 . 1737 . A 41 GLN HG3 . 19508 1 439 . 1 1 41 41 GLN HE21 H 1 6.536 0.02 . 1 . 91 . A 41 GLN HE21 . 19508 1 440 . 1 1 41 41 GLN HE22 H 1 7.175 0.02 . 1 . 159 . A 41 GLN HE22 . 19508 1 441 . 1 1 41 41 GLN C C 13 177.036 . . 1 . 1509 . A 41 GLN C . 19508 1 442 . 1 1 41 41 GLN CA C 13 58.321 0.061 . 1 . 1438 . A 41 GLN CA . 19508 1 443 . 1 1 41 41 GLN CB C 13 27.164 0.04 . 1 . 1733 . A 41 GLN CB . 19508 1 444 . 1 1 41 41 GLN CG C 13 32.572 0.054 . 1 . 1735 . A 41 GLN CG . 19508 1 445 . 1 1 41 41 GLN N N 15 123.420 0.029 . 1 . 198 . A 41 GLN N . 19508 1 446 . 1 1 41 41 GLN NE2 N 15 111.511 0.005 . 1 . 92 . A 41 GLN NE2 . 19508 1 447 . 1 1 42 42 ASP H H 1 7.736 0.002 . 1 . 144 . A 42 ASP H . 19508 1 448 . 1 1 42 42 ASP HA H 1 4.253 0.004 . 1 . 1738 . A 42 ASP HA . 19508 1 449 . 1 1 42 42 ASP HB2 H 1 2.568 0.002 . 2 . 1739 . A 42 ASP HB2 . 19508 1 450 . 1 1 42 42 ASP HB3 H 1 2.311 0.004 . 2 . 1740 . A 42 ASP HB3 . 19508 1 451 . 1 1 42 42 ASP C C 13 176.577 . . 1 . 2185 . A 42 ASP C . 19508 1 452 . 1 1 42 42 ASP CA C 13 55.803 0.073 . 1 . 1439 . A 42 ASP CA . 19508 1 453 . 1 1 42 42 ASP CB C 13 40.541 0.043 . 1 . 2152 . A 42 ASP CB . 19508 1 454 . 1 1 42 42 ASP N N 15 116.813 0.013 . 1 . 145 . A 42 ASP N . 19508 1 455 . 1 1 43 43 ASP H H 1 7.357 0.008 . 1 . 95 . A 43 ASP H . 19508 1 456 . 1 1 43 43 ASP HB2 H 1 2.659 0.003 . 2 . 1742 . A 43 ASP HB2 . 19508 1 457 . 1 1 43 43 ASP HB3 H 1 3.224 0.002 . 2 . 1743 . A 43 ASP HB3 . 19508 1 458 . 1 1 43 43 ASP C C 13 177.159 . . 1 . 2186 . A 43 ASP C . 19508 1 459 . 1 1 43 43 ASP CA C 13 54.786 0.003 . 1 . 1440 . A 43 ASP CA . 19508 1 460 . 1 1 43 43 ASP CB C 13 42.605 0.016 . 1 . 1741 . A 43 ASP CB . 19508 1 461 . 1 1 43 43 ASP N N 15 117.372 0.008 . 1 . 96 . A 43 ASP N . 19508 1 462 . 1 1 44 44 VAL H H 1 7.038 0.002 . 1 . 154 . A 44 VAL H . 19508 1 463 . 1 1 44 44 VAL HA H 1 3.343 0.003 . 1 . 1744 . A 44 VAL HA . 19508 1 464 . 1 1 44 44 VAL HB H 1 1.793 0.001 . 1 . 1746 . A 44 VAL HB . 19508 1 465 . 1 1 44 44 VAL HG11 H 1 0.460 0.002 . 2 . 1749 . A 44 VAL HG11 . 19508 1 466 . 1 1 44 44 VAL HG12 H 1 0.460 0.002 . 2 . 1749 . A 44 VAL HG12 . 19508 1 467 . 1 1 44 44 VAL HG13 H 1 0.460 0.002 . 2 . 1749 . A 44 VAL HG13 . 19508 1 468 . 1 1 44 44 VAL HG21 H 1 0.622 0.002 . 2 . 1747 . A 44 VAL HG21 . 19508 1 469 . 1 1 44 44 VAL HG22 H 1 0.622 0.002 . 2 . 1747 . A 44 VAL HG22 . 19508 1 470 . 1 1 44 44 VAL HG23 H 1 0.622 0.002 . 2 . 1747 . A 44 VAL HG23 . 19508 1 471 . 1 1 44 44 VAL C C 13 178.207 . . 1 . 1508 . A 44 VAL C . 19508 1 472 . 1 1 44 44 VAL CA C 13 65.373 0.07 . 1 . 1441 . A 44 VAL CA . 19508 1 473 . 1 1 44 44 VAL CB C 13 31.107 0.009 . 1 . 1745 . A 44 VAL CB . 19508 1 474 . 1 1 44 44 VAL CG1 C 13 21.948 0.019 . 2 . 1750 . A 44 VAL CG1 . 19508 1 475 . 1 1 44 44 VAL CG2 C 13 20.641 0.037 . 2 . 1748 . A 44 VAL CG2 . 19508 1 476 . 1 1 44 44 VAL N N 15 121.936 0.005 . 1 . 155 . A 44 VAL N . 19508 1 477 . 1 1 45 45 CYS H H 1 8.107 0.002 . 1 . 59 . A 45 CYS H . 19508 1 478 . 1 1 45 45 CYS HA H 1 4.417 0.004 . 1 . 1754 . A 45 CYS HA . 19508 1 479 . 1 1 45 45 CYS HB2 H 1 2.997 0.002 . 1 . 1753 . A 45 CYS HB2 . 19508 1 480 . 1 1 45 45 CYS HB3 H 1 2.997 0.002 . 1 . 1752 . A 45 CYS HB3 . 19508 1 481 . 1 1 45 45 CYS C C 13 175.120 . . 1 . 2187 . A 45 CYS C . 19508 1 482 . 1 1 45 45 CYS CA C 13 59.226 0.091 . 1 . 1442 . A 45 CYS CA . 19508 1 483 . 1 1 45 45 CYS CB C 13 27.083 0.077 . 1 . 1751 . A 45 CYS CB . 19508 1 484 . 1 1 45 45 CYS N N 15 115.418 0.006 . 1 . 60 . A 45 CYS N . 19508 1 485 . 1 1 46 46 LYS H H 1 7.826 0.002 . 1 . 119 . A 46 LYS H . 19508 1 486 . 1 1 46 46 LYS HA H 1 4.402 0.005 . 1 . 1755 . A 46 LYS HA . 19508 1 487 . 1 1 46 46 LYS HB2 H 1 2.067 0.001 . 1 . 1757 . A 46 LYS HB2 . 19508 1 488 . 1 1 46 46 LYS HB3 H 1 2.067 0.001 . 1 . 1756 . A 46 LYS HB3 . 19508 1 489 . 1 1 46 46 LYS HG2 H 1 1.432 0.004 . 1 . 1761 . A 46 LYS HG2 . 19508 1 490 . 1 1 46 46 LYS HG3 H 1 1.432 0.004 . 1 . 1760 . A 46 LYS HG3 . 19508 1 491 . 1 1 46 46 LYS HD2 H 1 1.661 0.003 . 2 . 1763 . A 46 LYS HD2 . 19508 1 492 . 1 1 46 46 LYS HD3 H 1 1.731 0.001 . 2 . 1764 . A 46 LYS HD3 . 19508 1 493 . 1 1 46 46 LYS C C 13 177.057 . . 1 . 2188 . A 46 LYS C . 19508 1 494 . 1 1 46 46 LYS CA C 13 56.851 0.078 . 1 . 1443 . A 46 LYS CA . 19508 1 495 . 1 1 46 46 LYS CB C 13 33.116 . . 1 . 1758 . A 46 LYS CB . 19508 1 496 . 1 1 46 46 LYS CG C 13 25.681 0.022 . 1 . 1759 . A 46 LYS CG . 19508 1 497 . 1 1 46 46 LYS CD C 13 29.243 0.054 . 1 . 1762 . A 46 LYS CD . 19508 1 498 . 1 1 46 46 LYS N N 15 121.812 0.019 . 1 . 120 . A 46 LYS N . 19508 1 499 . 1 1 47 47 GLY H H 1 7.727 0.009 . 1 . 164 . A 47 GLY H . 19508 1 500 . 1 1 47 47 GLY HA2 H 1 4.525 0.003 . 2 . 1766 . A 47 GLY HA2 . 19508 1 501 . 1 1 47 47 GLY HA3 H 1 3.999 0.005 . 2 . 1765 . A 47 GLY HA3 . 19508 1 502 . 1 1 47 47 GLY C C 13 173.017 . . 1 . 1506 . A 47 GLY C . 19508 1 503 . 1 1 47 47 GLY CA C 13 44.270 0.075 . 1 . 1444 . A 47 GLY CA . 19508 1 504 . 1 1 47 47 GLY N N 15 107.480 0.005 . 1 . 165 . A 47 GLY N . 19508 1 505 . 1 1 48 48 SER H H 1 8.459 0.001 . 1 . 11 . A 48 SER H . 19508 1 506 . 1 1 48 48 SER HA H 1 3.744 0.008 . 1 . 1770 . A 48 SER HA . 19508 1 507 . 1 1 48 48 SER HB2 H 1 3.414 0.005 . 2 . 1769 . A 48 SER HB2 . 19508 1 508 . 1 1 48 48 SER HB3 H 1 3.604 0.006 . 2 . 1768 . A 48 SER HB3 . 19508 1 509 . 1 1 48 48 SER C C 13 175.219 . . 1 . 2189 . A 48 SER C . 19508 1 510 . 1 1 48 48 SER CA C 13 58.048 0.072 . 1 . 1445 . A 48 SER CA . 19508 1 511 . 1 1 48 48 SER CB C 13 63.828 0.035 . 1 . 1767 . A 48 SER CB . 19508 1 512 . 1 1 48 48 SER N N 15 116.349 0.011 . 1 . 12 . A 48 SER N . 19508 1 513 . 1 1 49 49 LYS H H 1 8.374 0.006 . 1 . 131 . A 49 LYS H . 19508 1 514 . 1 1 49 49 LYS HA H 1 4.139 0.001 . 1 . 1771 . A 49 LYS HA . 19508 1 515 . 1 1 49 49 LYS HB2 H 1 1.594 0.004 . 2 . 1774 . A 49 LYS HB2 . 19508 1 516 . 1 1 49 49 LYS HB3 H 1 1.115 0.005 . 2 . 1773 . A 49 LYS HB3 . 19508 1 517 . 1 1 49 49 LYS HG2 H 1 1.475 0.004 . 2 . 1775 . A 49 LYS HG2 . 19508 1 518 . 1 1 49 49 LYS HG3 H 1 1.346 0.004 . 2 . 1777 . A 49 LYS HG3 . 19508 1 519 . 1 1 49 49 LYS HD2 H 1 1.627 0.002 . 2 . 1778 . A 49 LYS HD2 . 19508 1 520 . 1 1 49 49 LYS HD3 H 1 1.580 0.002 . 2 . 1780 . A 49 LYS HD3 . 19508 1 521 . 1 1 49 49 LYS HE2 H 1 3.017 0.001 . 1 . 1783 . A 49 LYS HE2 . 19508 1 522 . 1 1 49 49 LYS HE3 H 1 3.017 0.001 . 1 . 1781 . A 49 LYS HE3 . 19508 1 523 . 1 1 49 49 LYS C C 13 176.490 . . 1 . 2190 . A 49 LYS C . 19508 1 524 . 1 1 49 49 LYS CA C 13 55.575 0.02 . 1 . 1446 . A 49 LYS CA . 19508 1 525 . 1 1 49 49 LYS CB C 13 32.202 0.076 . 1 . 1772 . A 49 LYS CB . 19508 1 526 . 1 1 49 49 LYS CG C 13 24.336 0.027 . 1 . 1776 . A 49 LYS CG . 19508 1 527 . 1 1 49 49 LYS CD C 13 28.119 0.021 . 1 . 1779 . A 49 LYS CD . 19508 1 528 . 1 1 49 49 LYS CE C 13 41.836 0.048 . 1 . 1782 . A 49 LYS CE . 19508 1 529 . 1 1 49 49 LYS N N 15 121.212 0.007 . 1 . 132 . A 49 LYS N . 19508 1 530 . 1 1 50 50 GLY H H 1 6.707 0.006 . 1 . 77 . A 50 GLY H . 19508 1 531 . 1 1 50 50 GLY HA2 H 1 3.537 0.007 . 2 . 1784 . A 50 GLY HA2 . 19508 1 532 . 1 1 50 50 GLY HA3 H 1 3.877 0.004 . 2 . 1785 . A 50 GLY HA3 . 19508 1 533 . 1 1 50 50 GLY C C 13 170.989 . . 1 . 2191 . A 50 GLY C . 19508 1 534 . 1 1 50 50 GLY CA C 13 45.094 0.08 . 1 . 1447 . A 50 GLY CA . 19508 1 535 . 1 1 50 50 GLY N N 15 106.064 0.004 . 1 . 78 . A 50 GLY N . 19508 1 536 . 1 1 51 51 SER H H 1 8.165 0.003 . 1 . 140 . A 51 SER H . 19508 1 537 . 1 1 51 51 SER HA H 1 5.353 0.005 . 1 . 1786 . A 51 SER HA . 19508 1 538 . 1 1 51 51 SER HB2 H 1 3.703 0.02 . 2 . 1789 . A 51 SER HB2 . 19508 1 539 . 1 1 51 51 SER HB3 H 1 3.503 0.002 . 2 . 1788 . A 51 SER HB3 . 19508 1 540 . 1 1 51 51 SER C C 13 172.793 . . 1 . 2192 . A 51 SER C . 19508 1 541 . 1 1 51 51 SER CA C 13 57.684 0.098 . 1 . 1448 . A 51 SER CA . 19508 1 542 . 1 1 51 51 SER CB C 13 65.904 0.017 . 1 . 1787 . A 51 SER CB . 19508 1 543 . 1 1 51 51 SER N N 15 113.370 0.014 . 1 . 141 . A 51 SER N . 19508 1 544 . 1 1 52 52 ILE H H 1 9.291 0.006 . 1 . 85 . A 52 ILE H . 19508 1 545 . 1 1 52 52 ILE HA H 1 4.203 0.004 . 1 . 1790 . A 52 ILE HA . 19508 1 546 . 1 1 52 52 ILE HB H 1 1.626 0.005 . 1 . 1792 . A 52 ILE HB . 19508 1 547 . 1 1 52 52 ILE HG12 H 1 0.779 0.007 . 2 . 1795 . A 52 ILE HG12 . 19508 1 548 . 1 1 52 52 ILE HG13 H 1 1.234 0.01 . 2 . 1794 . A 52 ILE HG13 . 19508 1 549 . 1 1 52 52 ILE HG21 H 1 0.679 0.005 . 1 . 1797 . A 52 ILE HG21 . 19508 1 550 . 1 1 52 52 ILE HG22 H 1 0.679 0.005 . 1 . 1797 . A 52 ILE HG22 . 19508 1 551 . 1 1 52 52 ILE HG23 H 1 0.679 0.005 . 1 . 1797 . A 52 ILE HG23 . 19508 1 552 . 1 1 52 52 ILE HD11 H 1 0.268 0.01 . 1 . 1798 . A 52 ILE HD11 . 19508 1 553 . 1 1 52 52 ILE HD12 H 1 0.268 0.01 . 1 . 1798 . A 52 ILE HD12 . 19508 1 554 . 1 1 52 52 ILE HD13 H 1 0.268 0.01 . 1 . 1798 . A 52 ILE HD13 . 19508 1 555 . 1 1 52 52 ILE C C 13 174.296 . . 1 . 2193 . A 52 ILE C . 19508 1 556 . 1 1 52 52 ILE CA C 13 60.232 0.069 . 1 . 1449 . A 52 ILE CA . 19508 1 557 . 1 1 52 52 ILE CB C 13 42.277 0.028 . 1 . 1791 . A 52 ILE CB . 19508 1 558 . 1 1 52 52 ILE CG1 C 13 27.808 0.026 . 1 . 1793 . A 52 ILE CG1 . 19508 1 559 . 1 1 52 52 ILE CG2 C 13 18.689 0.043 . 1 . 1796 . A 52 ILE CG2 . 19508 1 560 . 1 1 52 52 ILE CD1 C 13 13.809 0.043 . 1 . 1799 . A 52 ILE CD1 . 19508 1 561 . 1 1 52 52 ILE N N 15 123.543 0.026 . 1 . 86 . A 52 ILE N . 19508 1 562 . 1 1 53 53 LYS H H 1 8.442 0.005 . 1 . 150 . A 53 LYS H . 19508 1 563 . 1 1 53 53 LYS HA H 1 4.418 0.007 . 1 . 1800 . A 53 LYS HA . 19508 1 564 . 1 1 53 53 LYS HB2 H 1 1.936 0.007 . 2 . 1803 . A 53 LYS HB2 . 19508 1 565 . 1 1 53 53 LYS HB3 H 1 1.770 0.004 . 2 . 1802 . A 53 LYS HB3 . 19508 1 566 . 1 1 53 53 LYS HG2 H 1 1.539 0.003 . 2 . 1805 . A 53 LYS HG2 . 19508 1 567 . 1 1 53 53 LYS HG3 H 1 1.355 0.004 . 2 . 1806 . A 53 LYS HG3 . 19508 1 568 . 1 1 53 53 LYS HD2 H 1 1.717 0.003 . 1 . 1809 . A 53 LYS HD2 . 19508 1 569 . 1 1 53 53 LYS HD3 H 1 1.717 0.003 . 1 . 1808 . A 53 LYS HD3 . 19508 1 570 . 1 1 53 53 LYS HE2 H 1 2.971 0.003 . 1 . 1811 . A 53 LYS HE2 . 19508 1 571 . 1 1 53 53 LYS HE3 H 1 2.971 0.003 . 1 . 1812 . A 53 LYS HE3 . 19508 1 572 . 1 1 53 53 LYS C C 13 176.204 . . 1 . 2194 . A 53 LYS C . 19508 1 573 . 1 1 53 53 LYS CA C 13 56.273 0.079 . 1 . 1450 . A 53 LYS CA . 19508 1 574 . 1 1 53 53 LYS CB C 13 32.239 0.056 . 1 . 1801 . A 53 LYS CB . 19508 1 575 . 1 1 53 53 LYS CG C 13 25.517 0.05 . 1 . 1804 . A 53 LYS CG . 19508 1 576 . 1 1 53 53 LYS CD C 13 29.565 0.058 . 1 . 1807 . A 53 LYS CD . 19508 1 577 . 1 1 53 53 LYS CE C 13 42.133 0.039 . 1 . 1810 . A 53 LYS CE . 19508 1 578 . 1 1 53 53 LYS N N 15 127.671 0.014 . 1 . 151 . A 53 LYS N . 19508 1 579 . 1 1 54 54 MET H H 1 8.156 0.001 . 1 . 121 . A 54 MET H . 19508 1 580 . 1 1 54 54 MET HA H 1 4.565 0.002 . 1 . 1814 . A 54 MET HA . 19508 1 581 . 1 1 54 54 MET HB2 H 1 1.850 0.006 . 2 . 1819 . A 54 MET HB2 . 19508 1 582 . 1 1 54 54 MET HB3 H 1 1.981 0.002 . 2 . 1818 . A 54 MET HB3 . 19508 1 583 . 1 1 54 54 MET HG2 H 1 2.735 0.004 . 2 . 1815 . A 54 MET HG2 . 19508 1 584 . 1 1 54 54 MET HG3 H 1 2.110 0.005 . 2 . 1817 . A 54 MET HG3 . 19508 1 585 . 1 1 54 54 MET HE1 H 1 1.841 0.003 . 1 . 2306 . A 54 MET HE1 . 19508 1 586 . 1 1 54 54 MET HE2 H 1 1.841 0.003 . 1 . 2306 . A 54 MET HE2 . 19508 1 587 . 1 1 54 54 MET HE3 H 1 1.841 0.003 . 1 . 2306 . A 54 MET HE3 . 19508 1 588 . 1 1 54 54 MET C C 13 178.812 . . 1 . 2195 . A 54 MET C . 19508 1 589 . 1 1 54 54 MET CA C 13 55.632 0.067 . 1 . 1451 . A 54 MET CA . 19508 1 590 . 1 1 54 54 MET CG C 13 31.000 0.035 . 1 . 1816 . A 54 MET CG . 19508 1 591 . 1 1 54 54 MET CE C 13 16.074 0.035 . 1 . 2307 . A 54 MET CE . 19508 1 592 . 1 1 54 54 MET N N 15 124.264 0.026 . 1 . 122 . A 54 MET N . 19508 1 593 . 1 1 55 55 ALA H H 1 8.816 0.001 . 1 . 199 . A 55 ALA H . 19508 1 594 . 1 1 55 55 ALA HA H 1 4.138 0.011 . 1 . 1820 . A 55 ALA HA . 19508 1 595 . 1 1 55 55 ALA HB1 H 1 1.463 0.002 . 1 . 1821 . A 55 ALA HB1 . 19508 1 596 . 1 1 55 55 ALA HB2 H 1 1.463 0.002 . 1 . 1821 . A 55 ALA HB2 . 19508 1 597 . 1 1 55 55 ALA HB3 H 1 1.463 0.002 . 1 . 1821 . A 55 ALA HB3 . 19508 1 598 . 1 1 55 55 ALA C C 13 178.775 . . 1 . 2196 . A 55 ALA C . 19508 1 599 . 1 1 55 55 ALA CA C 13 55.027 0.074 . 1 . 1452 . A 55 ALA CA . 19508 1 600 . 1 1 55 55 ALA CB C 13 19.320 0.038 . 1 . 1822 . A 55 ALA CB . 19508 1 601 . 1 1 55 55 ALA N N 15 119.401 0.019 . 1 . 200 . A 55 ALA N . 19508 1 602 . 1 1 56 56 VAL H H 1 7.126 0.005 . 1 . 1827 . A 56 VAL H . 19508 1 603 . 1 1 56 56 VAL HA H 1 4.558 0.006 . 1 . 1823 . A 56 VAL HA . 19508 1 604 . 1 1 56 56 VAL HB H 1 2.525 0.003 . 1 . 1824 . A 56 VAL HB . 19508 1 605 . 1 1 56 56 VAL HG11 H 1 0.915 0.006 . 2 . 1830 . A 56 VAL HG11 . 19508 1 606 . 1 1 56 56 VAL HG12 H 1 0.915 0.006 . 2 . 1830 . A 56 VAL HG12 . 19508 1 607 . 1 1 56 56 VAL HG13 H 1 0.915 0.006 . 2 . 1830 . A 56 VAL HG13 . 19508 1 608 . 1 1 56 56 VAL HG21 H 1 0.987 0.003 . 2 . 1826 . A 56 VAL HG21 . 19508 1 609 . 1 1 56 56 VAL HG22 H 1 0.987 0.003 . 2 . 1826 . A 56 VAL HG22 . 19508 1 610 . 1 1 56 56 VAL HG23 H 1 0.987 0.003 . 2 . 1826 . A 56 VAL HG23 . 19508 1 611 . 1 1 56 56 VAL C C 13 175.044 . . 1 . 2197 . A 56 VAL C . 19508 1 612 . 1 1 56 56 VAL CA C 13 60.196 0.096 . 1 . 1453 . A 56 VAL CA . 19508 1 613 . 1 1 56 56 VAL CB C 13 31.832 0.03 . 1 . 1825 . A 56 VAL CB . 19508 1 614 . 1 1 56 56 VAL CG1 C 13 21.522 0.036 . 2 . 1829 . A 56 VAL CG1 . 19508 1 615 . 1 1 56 56 VAL CG2 C 13 19.011 0.03 . 2 . 1828 . A 56 VAL CG2 . 19508 1 616 . 1 1 56 56 VAL N N 15 106.427 0.018 . 1 . 213 . A 56 VAL N . 19508 1 617 . 1 1 57 57 CYS H H 1 7.407 0.005 . 1 . 168 . A 57 CYS H . 19508 1 618 . 1 1 57 57 CYS HB2 H 1 2.712 0.002 . 1 . 1833 . A 57 CYS HB2 . 19508 1 619 . 1 1 57 57 CYS HB3 H 1 2.712 0.002 . 1 . 1832 . A 57 CYS HB3 . 19508 1 620 . 1 1 57 57 CYS C C 13 173.804 . . 1 . 2198 . A 57 CYS C . 19508 1 621 . 1 1 57 57 CYS CA C 13 58.190 0.005 . 1 . 1454 . A 57 CYS CA . 19508 1 622 . 1 1 57 57 CYS CB C 13 30.086 0.029 . 1 . 1831 . A 57 CYS CB . 19508 1 623 . 1 1 57 57 CYS N N 15 120.020 0.005 . 1 . 169 . A 57 CYS N . 19508 1 624 . 1 1 58 58 GLU H H 1 8.802 0.007 . 1 . 117 . A 58 GLU H . 19508 1 625 . 1 1 58 58 GLU HB2 H 1 1.866 0.004 . 2 . 1836 . A 58 GLU HB2 . 19508 1 626 . 1 1 58 58 GLU HB3 H 1 1.952 0.003 . 2 . 1835 . A 58 GLU HB3 . 19508 1 627 . 1 1 58 58 GLU HG2 H 1 2.257 0.001 . 2 . 1838 . A 58 GLU HG2 . 19508 1 628 . 1 1 58 58 GLU HG3 H 1 2.077 0.005 . 2 . 1839 . A 58 GLU HG3 . 19508 1 629 . 1 1 58 58 GLU C C 13 175.057 . . 1 . 2199 . A 58 GLU C . 19508 1 630 . 1 1 58 58 GLU CA C 13 54.953 0.006 . 1 . 1455 . A 58 GLU CA . 19508 1 631 . 1 1 58 58 GLU CB C 13 31.854 0.046 . 1 . 1834 . A 58 GLU CB . 19508 1 632 . 1 1 58 58 GLU CG C 13 35.870 0.061 . 1 . 1837 . A 58 GLU CG . 19508 1 633 . 1 1 58 58 GLU N N 15 124.517 0.025 . 1 . 118 . A 58 GLU N . 19508 1 634 . 1 1 59 59 ILE H H 1 8.698 0.003 . 1 . 127 . A 59 ILE H . 19508 1 635 . 1 1 59 59 ILE HA H 1 4.616 0.002 . 1 . 1842 . A 59 ILE HA . 19508 1 636 . 1 1 59 59 ILE HB H 1 1.628 0.005 . 1 . 1841 . A 59 ILE HB . 19508 1 637 . 1 1 59 59 ILE HG12 H 1 1.468 0.02 . 2 . 1845 . A 59 ILE HG12 . 19508 1 638 . 1 1 59 59 ILE HG13 H 1 0.747 0.02 . 2 . 1843 . A 59 ILE HG13 . 19508 1 639 . 1 1 59 59 ILE HG21 H 1 0.719 0.002 . 1 . 1847 . A 59 ILE HG21 . 19508 1 640 . 1 1 59 59 ILE HG22 H 1 0.719 0.002 . 1 . 1847 . A 59 ILE HG22 . 19508 1 641 . 1 1 59 59 ILE HG23 H 1 0.719 0.002 . 1 . 1847 . A 59 ILE HG23 . 19508 1 642 . 1 1 59 59 ILE HD11 H 1 0.672 0.001 . 1 . 1849 . A 59 ILE HD11 . 19508 1 643 . 1 1 59 59 ILE HD12 H 1 0.672 0.001 . 1 . 1849 . A 59 ILE HD12 . 19508 1 644 . 1 1 59 59 ILE HD13 H 1 0.672 0.001 . 1 . 1849 . A 59 ILE HD13 . 19508 1 645 . 1 1 59 59 ILE C C 13 175.506 . . 1 . 2200 . A 59 ILE C . 19508 1 646 . 1 1 59 59 ILE CA C 13 60.684 0.053 . 1 . 1456 . A 59 ILE CA . 19508 1 647 . 1 1 59 59 ILE CB C 13 39.690 0.03 . 1 . 1840 . A 59 ILE CB . 19508 1 648 . 1 1 59 59 ILE CG1 C 13 27.758 0.017 . 1 . 1844 . A 59 ILE CG1 . 19508 1 649 . 1 1 59 59 ILE CG2 C 13 14.712 0.036 . 1 . 1846 . A 59 ILE CG2 . 19508 1 650 . 1 1 59 59 ILE CD1 C 13 17.532 0.04 . 1 . 1848 . A 59 ILE CD1 . 19508 1 651 . 1 1 59 59 ILE N N 15 124.328 0.011 . 1 . 128 . A 59 ILE N . 19508 1 652 . 1 1 60 60 LYS H H 1 9.193 0.004 . 1 . 172 . A 60 LYS H . 19508 1 653 . 1 1 60 60 LYS HB2 H 1 1.621 0.004 . 2 . 1852 . A 60 LYS HB2 . 19508 1 654 . 1 1 60 60 LYS HB3 H 1 1.752 0.009 . 2 . 1851 . A 60 LYS HB3 . 19508 1 655 . 1 1 60 60 LYS HG2 H 1 1.307 0.008 . 2 . 1854 . A 60 LYS HG2 . 19508 1 656 . 1 1 60 60 LYS HG3 H 1 1.202 0.004 . 2 . 1855 . A 60 LYS HG3 . 19508 1 657 . 1 1 60 60 LYS HD2 H 1 1.588 0.003 . 1 . 1858 . A 60 LYS HD2 . 19508 1 658 . 1 1 60 60 LYS HD3 H 1 1.588 0.003 . 1 . 1856 . A 60 LYS HD3 . 19508 1 659 . 1 1 60 60 LYS HE2 H 1 2.878 0.002 . 2 . 1859 . A 60 LYS HE2 . 19508 1 660 . 1 1 60 60 LYS HE3 H 1 2.839 0.001 . 2 . 1861 . A 60 LYS HE3 . 19508 1 661 . 1 1 60 60 LYS C C 13 175.590 . . 1 . 2201 . A 60 LYS C . 19508 1 662 . 1 1 60 60 LYS CA C 13 54.620 0.008 . 1 . 1457 . A 60 LYS CA . 19508 1 663 . 1 1 60 60 LYS CB C 13 34.844 0.032 . 1 . 1850 . A 60 LYS CB . 19508 1 664 . 1 1 60 60 LYS CG C 13 24.706 0.03 . 1 . 1853 . A 60 LYS CG . 19508 1 665 . 1 1 60 60 LYS CD C 13 29.021 0.027 . 1 . 1857 . A 60 LYS CD . 19508 1 666 . 1 1 60 60 LYS CE C 13 42.018 0.036 . 1 . 1860 . A 60 LYS CE . 19508 1 667 . 1 1 60 60 LYS N N 15 128.368 0.017 . 1 . 173 . A 60 LYS N . 19508 1 668 . 1 1 61 61 VAL H H 1 8.793 0.006 . 1 . 160 . A 61 VAL H . 19508 1 669 . 1 1 61 61 VAL HA H 1 4.002 0.014 . 1 . 1862 . A 61 VAL HA . 19508 1 670 . 1 1 61 61 VAL HB H 1 2.073 0.008 . 1 . 1864 . A 61 VAL HB . 19508 1 671 . 1 1 61 61 VAL HG11 H 1 0.902 0.002 . 2 . 1868 . A 61 VAL HG11 . 19508 1 672 . 1 1 61 61 VAL HG12 H 1 0.902 0.002 . 2 . 1868 . A 61 VAL HG12 . 19508 1 673 . 1 1 61 61 VAL HG13 H 1 0.902 0.002 . 2 . 1868 . A 61 VAL HG13 . 19508 1 674 . 1 1 61 61 VAL HG21 H 1 0.900 0.004 . 2 . 1865 . A 61 VAL HG21 . 19508 1 675 . 1 1 61 61 VAL HG22 H 1 0.900 0.004 . 2 . 1865 . A 61 VAL HG22 . 19508 1 676 . 1 1 61 61 VAL HG23 H 1 0.900 0.004 . 2 . 1865 . A 61 VAL HG23 . 19508 1 677 . 1 1 61 61 VAL C C 13 175.339 . . 1 . 2202 . A 61 VAL C . 19508 1 678 . 1 1 61 61 VAL CA C 13 62.356 0.097 . 1 . 1458 . A 61 VAL CA . 19508 1 679 . 1 1 61 61 VAL CB C 13 33.123 0.06 . 1 . 1863 . A 61 VAL CB . 19508 1 680 . 1 1 61 61 VAL CG1 C 13 21.367 0.048 . 2 . 1866 . A 61 VAL CG1 . 19508 1 681 . 1 1 61 61 VAL CG2 C 13 22.117 0.069 . 2 . 1867 . A 61 VAL CG2 . 19508 1 682 . 1 1 61 61 VAL N N 15 125.010 0.014 . 1 . 161 . A 61 VAL N . 19508 1 683 . 1 1 62 62 HIS H H 1 7.462 0.006 . 1 . 35 . A 62 HIS H . 19508 1 684 . 1 1 62 62 HIS HA H 1 4.323 0.003 . 1 . 1869 . A 62 HIS HA . 19508 1 685 . 1 1 62 62 HIS HB2 H 1 2.799 0.004 . 2 . 1871 . A 62 HIS HB2 . 19508 1 686 . 1 1 62 62 HIS HB3 H 1 3.520 0.012 . 2 . 1872 . A 62 HIS HB3 . 19508 1 687 . 1 1 62 62 HIS HE1 H 1 7.875 0.02 . 1 . 2287 . A 62 HIS HE1 . 19508 1 688 . 1 1 62 62 HIS CA C 13 58.696 0.124 . 1 . 1870 . A 62 HIS CA . 19508 1 689 . 1 1 62 62 HIS CB C 13 32.870 0.056 . 1 . 1873 . A 62 HIS CB . 19508 1 690 . 1 1 62 62 HIS N N 15 128.494 0.022 . 1 . 36 . A 62 HIS N . 19508 1 691 . 1 1 63 63 SER HA H 1 4.217 0.02 . 1 . 1874 . A 63 SER HA . 19508 1 692 . 1 1 63 63 SER HB2 H 1 3.839 0.022 . 2 . 1527 . A 63 SER HB2 . 19508 1 693 . 1 1 63 63 SER HB3 H 1 3.859 0.013 . 2 . 1526 . A 63 SER HB3 . 19508 1 694 . 1 1 63 63 SER CA C 13 60.341 . . 1 . 1875 . A 63 SER CA . 19508 1 695 . 1 1 63 63 SER CB C 13 63.582 0.032 . 1 . 1525 . A 63 SER CB . 19508 1 696 . 1 1 64 64 ALA HA H 1 4.567 0.013 . 1 . 1878 . A 64 ALA HA . 19508 1 697 . 1 1 64 64 ALA HB1 H 1 1.453 0.004 . 1 . 1877 . A 64 ALA HB1 . 19508 1 698 . 1 1 64 64 ALA HB2 H 1 1.453 0.004 . 1 . 1877 . A 64 ALA HB2 . 19508 1 699 . 1 1 64 64 ALA HB3 H 1 1.453 0.004 . 1 . 1877 . A 64 ALA HB3 . 19508 1 700 . 1 1 64 64 ALA C C 13 176.765 . . 1 . 2203 . A 64 ALA C . 19508 1 701 . 1 1 64 64 ALA CA C 13 53.098 0.01 . 1 . 1879 . A 64 ALA CA . 19508 1 702 . 1 1 64 64 ALA CB C 13 20.953 0.057 . 1 . 1876 . A 64 ALA CB . 19508 1 703 . 1 1 65 65 ASP H H 1 8.969 0.002 . 1 . 5 . A 65 ASP H . 19508 1 704 . 1 1 65 65 ASP HB2 H 1 2.317 0.001 . 2 . 1880 . A 65 ASP HB2 . 19508 1 705 . 1 1 65 65 ASP HB3 H 1 2.209 0.005 . 2 . 1881 . A 65 ASP HB3 . 19508 1 706 . 1 1 65 65 ASP C C 13 176.373 . . 1 . 2204 . A 65 ASP C . 19508 1 707 . 1 1 65 65 ASP CB C 13 40.931 0.048 . 1 . 1882 . A 65 ASP CB . 19508 1 708 . 1 1 65 65 ASP N N 15 121.526 0.013 . 1 . 6 . A 65 ASP N . 19508 1 709 . 1 1 66 66 ASN H H 1 8.407 0.002 . 1 . 48 . A 66 ASN H . 19508 1 710 . 1 1 66 66 ASN HA H 1 4.534 0.005 . 1 . 1884 . A 66 ASN HA . 19508 1 711 . 1 1 66 66 ASN HB2 H 1 2.904 0.005 . 2 . 1885 . A 66 ASN HB2 . 19508 1 712 . 1 1 66 66 ASN HB3 H 1 3.088 0.004 . 2 . 1886 . A 66 ASN HB3 . 19508 1 713 . 1 1 66 66 ASN HD21 H 1 6.768 0.004 . 1 . 138 . A 66 ASN HD21 . 19508 1 714 . 1 1 66 66 ASN HD22 H 1 7.461 0.005 . 1 . 146 . A 66 ASN HD22 . 19508 1 715 . 1 1 66 66 ASN C C 13 174.154 . . 1 . 2205 . A 66 ASN C . 19508 1 716 . 1 1 66 66 ASN CA C 13 54.138 0.013 . 1 . 1883 . A 66 ASN CA . 19508 1 717 . 1 1 66 66 ASN CB C 13 37.392 0.031 . 1 . 1887 . A 66 ASN CB . 19508 1 718 . 1 1 66 66 ASN N N 15 122.414 0.024 . 1 . 49 . A 66 ASN N . 19508 1 719 . 1 1 66 66 ASN ND2 N 15 110.238 0.002 . 1 . 139 . A 66 ASN ND2 . 19508 1 720 . 1 1 67 67 THR H H 1 8.368 0.003 . 1 . 73 . A 67 THR H . 19508 1 721 . 1 1 67 67 THR HA H 1 4.240 0.007 . 1 . 1888 . A 67 THR HA . 19508 1 722 . 1 1 67 67 THR HB H 1 4.422 0.005 . 1 . 1889 . A 67 THR HB . 19508 1 723 . 1 1 67 67 THR HG21 H 1 0.840 0.002 . 1 . 1892 . A 67 THR HG21 . 19508 1 724 . 1 1 67 67 THR HG22 H 1 0.840 0.002 . 1 . 1892 . A 67 THR HG22 . 19508 1 725 . 1 1 67 67 THR HG23 H 1 0.840 0.002 . 1 . 1892 . A 67 THR HG23 . 19508 1 726 . 1 1 67 67 THR C C 13 175.932 . . 1 . 2206 . A 67 THR C . 19508 1 727 . 1 1 67 67 THR CA C 13 62.196 0.087 . 1 . 1459 . A 67 THR CA . 19508 1 728 . 1 1 67 67 THR CB C 13 69.977 0.033 . 1 . 1890 . A 67 THR CB . 19508 1 729 . 1 1 67 67 THR CG2 C 13 21.959 0.041 . 1 . 1891 . A 67 THR CG2 . 19508 1 730 . 1 1 67 67 THR N N 15 104.908 0.064 . 1 . 74 . A 67 THR N . 19508 1 731 . 1 1 68 68 ARG H H 1 7.541 0.003 . 1 . 183 . A 68 ARG H . 19508 1 732 . 1 1 68 68 ARG HA H 1 5.055 0.004 . 1 . 1893 . A 68 ARG HA . 19508 1 733 . 1 1 68 68 ARG HB2 H 1 1.451 0.004 . 2 . 1896 . A 68 ARG HB2 . 19508 1 734 . 1 1 68 68 ARG HB3 H 1 2.000 0.006 . 2 . 1897 . A 68 ARG HB3 . 19508 1 735 . 1 1 68 68 ARG HG2 H 1 1.320 0.02 . 2 . 1900 . A 68 ARG HG2 . 19508 1 736 . 1 1 68 68 ARG HG3 H 1 1.599 0.02 . 2 . 1899 . A 68 ARG HG3 . 19508 1 737 . 1 1 68 68 ARG HD2 H 1 2.431 0.005 . 2 . 1902 . A 68 ARG HD2 . 19508 1 738 . 1 1 68 68 ARG HD3 H 1 2.851 0.003 . 2 . 1903 . A 68 ARG HD3 . 19508 1 739 . 1 1 68 68 ARG C C 13 176.355 . . 1 . 2207 . A 68 ARG C . 19508 1 740 . 1 1 68 68 ARG CA C 13 56.412 0.144 . 1 . 1894 . A 68 ARG CA . 19508 1 741 . 1 1 68 68 ARG CB C 13 34.378 0.04 . 1 . 1895 . A 68 ARG CB . 19508 1 742 . 1 1 68 68 ARG CG C 13 27.518 0.046 . 1 . 1898 . A 68 ARG CG . 19508 1 743 . 1 1 68 68 ARG CD C 13 44.234 0.068 . 1 . 1901 . A 68 ARG CD . 19508 1 744 . 1 1 68 68 ARG N N 15 122.715 0.009 . 1 . 184 . A 68 ARG N . 19508 1 745 . 1 1 69 69 MET H H 1 9.035 0.002 . 1 . 2321 . A 69 MET H . 19508 1 746 . 1 1 69 69 MET HA H 1 5.025 0.002 . 1 . 1904 . A 69 MET HA . 19508 1 747 . 1 1 69 69 MET HB2 H 1 1.937 0.009 . 1 . 1907 . A 69 MET HB2 . 19508 1 748 . 1 1 69 69 MET HB3 H 1 1.937 0.009 . 1 . 1906 . A 69 MET HB3 . 19508 1 749 . 1 1 69 69 MET HE1 H 1 1.611 0.001 . 1 . 1909 . A 69 MET HE1 . 19508 1 750 . 1 1 69 69 MET HE2 H 1 1.611 0.001 . 1 . 1909 . A 69 MET HE2 . 19508 1 751 . 1 1 69 69 MET HE3 H 1 1.611 0.001 . 1 . 1909 . A 69 MET HE3 . 19508 1 752 . 1 1 69 69 MET C C 13 172.526 . . 1 . 2208 . A 69 MET C . 19508 1 753 . 1 1 69 69 MET CA C 13 55.311 0.063 . 1 . 1460 . A 69 MET CA . 19508 1 754 . 1 1 69 69 MET CB C 13 37.154 0.045 . 1 . 1905 . A 69 MET CB . 19508 1 755 . 1 1 69 69 MET CE C 13 18.474 0.02 . 1 . 1908 . A 69 MET CE . 19508 1 756 . 1 1 69 69 MET N N 15 120.293 0.016 . 1 . 2320 . A 69 MET N . 19508 1 757 . 1 1 70 70 GLU H H 1 9.045 0.002 . 1 . 89 . A 70 GLU H . 19508 1 758 . 1 1 70 70 GLU HA H 1 5.398 0.005 . 1 . 1910 . A 70 GLU HA . 19508 1 759 . 1 1 70 70 GLU HB2 H 1 2.007 0.004 . 1 . 1915 . A 70 GLU HB2 . 19508 1 760 . 1 1 70 70 GLU HB3 H 1 2.001 0.017 . 1 . 1913 . A 70 GLU HB3 . 19508 1 761 . 1 1 70 70 GLU HG2 H 1 2.203 0.002 . 2 . 1916 . A 70 GLU HG2 . 19508 1 762 . 1 1 70 70 GLU HG3 H 1 2.128 0.003 . 2 . 1918 . A 70 GLU HG3 . 19508 1 763 . 1 1 70 70 GLU C C 13 173.671 . . 1 . 2209 . A 70 GLU C . 19508 1 764 . 1 1 70 70 GLU CA C 13 54.472 0.077 . 1 . 1911 . A 70 GLU CA . 19508 1 765 . 1 1 70 70 GLU CB C 13 33.851 0.058 . 1 . 1914 . A 70 GLU CB . 19508 1 766 . 1 1 70 70 GLU CG C 13 32.066 0.04 . 1 . 1917 . A 70 GLU CG . 19508 1 767 . 1 1 70 70 GLU N N 15 121.814 0.016 . 1 . 90 . A 70 GLU N . 19508 1 768 . 1 1 71 71 LEU H H 1 8.695 0.006 . 1 . 115 . A 71 LEU H . 19508 1 769 . 1 1 71 71 LEU HA H 1 5.177 0.007 . 1 . 1919 . A 71 LEU HA . 19508 1 770 . 1 1 71 71 LEU HB2 H 1 1.502 0.007 . 2 . 1921 . A 71 LEU HB2 . 19508 1 771 . 1 1 71 71 LEU HB3 H 1 1.267 0.006 . 2 . 1922 . A 71 LEU HB3 . 19508 1 772 . 1 1 71 71 LEU HG H 1 1.500 0.008 . 1 . 1924 . A 71 LEU HG . 19508 1 773 . 1 1 71 71 LEU HD11 H 1 0.602 0.003 . 2 . 1926 . A 71 LEU HD11 . 19508 1 774 . 1 1 71 71 LEU HD12 H 1 0.602 0.003 . 2 . 1926 . A 71 LEU HD12 . 19508 1 775 . 1 1 71 71 LEU HD13 H 1 0.602 0.003 . 2 . 1926 . A 71 LEU HD13 . 19508 1 776 . 1 1 71 71 LEU HD21 H 1 0.680 0.003 . 2 . 1927 . A 71 LEU HD21 . 19508 1 777 . 1 1 71 71 LEU HD22 H 1 0.680 0.003 . 2 . 1927 . A 71 LEU HD22 . 19508 1 778 . 1 1 71 71 LEU HD23 H 1 0.680 0.003 . 2 . 1927 . A 71 LEU HD23 . 19508 1 779 . 1 1 71 71 LEU C C 13 175.506 . . 1 . 2210 . A 71 LEU C . 19508 1 780 . 1 1 71 71 LEU CA C 13 53.288 0.075 . 1 . 1461 . A 71 LEU CA . 19508 1 781 . 1 1 71 71 LEU CB C 13 43.749 0.075 . 1 . 1920 . A 71 LEU CB . 19508 1 782 . 1 1 71 71 LEU CG C 13 27.846 0.054 . 1 . 1923 . A 71 LEU CG . 19508 1 783 . 1 1 71 71 LEU CD1 C 13 25.695 0.052 . 2 . 1925 . A 71 LEU CD1 . 19508 1 784 . 1 1 71 71 LEU CD2 C 13 25.026 0.04 . 2 . 1928 . A 71 LEU CD2 . 19508 1 785 . 1 1 71 71 LEU N N 15 123.399 0.011 . 1 . 116 . A 71 LEU N . 19508 1 786 . 1 1 72 72 ILE H H 1 8.978 0.004 . 1 . 65 . A 72 ILE H . 19508 1 787 . 1 1 72 72 ILE HA H 1 4.253 0.005 . 1 . 1930 . A 72 ILE HA . 19508 1 788 . 1 1 72 72 ILE HB H 1 1.667 0.003 . 1 . 1932 . A 72 ILE HB . 19508 1 789 . 1 1 72 72 ILE HG12 H 1 0.428 0.007 . 2 . 1937 . A 72 ILE HG12 . 19508 1 790 . 1 1 72 72 ILE HG13 H 1 1.098 0.002 . 2 . 1936 . A 72 ILE HG13 . 19508 1 791 . 1 1 72 72 ILE HG21 H 1 0.594 0.003 . 1 . 1934 . A 72 ILE HG21 . 19508 1 792 . 1 1 72 72 ILE HG22 H 1 0.594 0.003 . 1 . 1934 . A 72 ILE HG22 . 19508 1 793 . 1 1 72 72 ILE HG23 H 1 0.594 0.003 . 1 . 1934 . A 72 ILE HG23 . 19508 1 794 . 1 1 72 72 ILE HD11 H 1 0.609 0.019 . 1 . 1938 . A 72 ILE HD11 . 19508 1 795 . 1 1 72 72 ILE HD12 H 1 0.609 0.019 . 1 . 1938 . A 72 ILE HD12 . 19508 1 796 . 1 1 72 72 ILE HD13 H 1 0.609 0.019 . 1 . 1938 . A 72 ILE HD13 . 19508 1 797 . 1 1 72 72 ILE C C 13 175.469 . . 1 . 2211 . A 72 ILE C . 19508 1 798 . 1 1 72 72 ILE CA C 13 60.828 0.074 . 1 . 1929 . A 72 ILE CA . 19508 1 799 . 1 1 72 72 ILE CB C 13 39.898 0.071 . 1 . 1931 . A 72 ILE CB . 19508 1 800 . 1 1 72 72 ILE CG1 C 13 27.341 0.058 . 1 . 1935 . A 72 ILE CG1 . 19508 1 801 . 1 1 72 72 ILE CG2 C 13 14.013 0.074 . 1 . 1933 . A 72 ILE CG2 . 19508 1 802 . 1 1 72 72 ILE CD1 C 13 17.600 0.042 . 1 . 1939 . A 72 ILE CD1 . 19508 1 803 . 1 1 72 72 ILE N N 15 124.314 0.012 . 1 . 66 . A 72 ILE N . 19508 1 804 . 1 1 73 73 ILE H H 1 8.625 0.004 . 1 . 57 . A 73 ILE H . 19508 1 805 . 1 1 73 73 ILE HB H 1 1.772 0.003 . 1 . 1941 . A 73 ILE HB . 19508 1 806 . 1 1 73 73 ILE HG12 H 1 1.025 0.004 . 2 . 1946 . A 73 ILE HG12 . 19508 1 807 . 1 1 73 73 ILE HG13 H 1 1.435 0.004 . 2 . 1945 . A 73 ILE HG13 . 19508 1 808 . 1 1 73 73 ILE HG21 H 1 0.778 0.011 . 1 . 1943 . A 73 ILE HG21 . 19508 1 809 . 1 1 73 73 ILE HG22 H 1 0.778 0.011 . 1 . 1943 . A 73 ILE HG22 . 19508 1 810 . 1 1 73 73 ILE HG23 H 1 0.778 0.011 . 1 . 1943 . A 73 ILE HG23 . 19508 1 811 . 1 1 73 73 ILE HD11 H 1 0.890 0.005 . 1 . 1948 . A 73 ILE HD11 . 19508 1 812 . 1 1 73 73 ILE HD12 H 1 0.890 0.005 . 1 . 1948 . A 73 ILE HD12 . 19508 1 813 . 1 1 73 73 ILE HD13 H 1 0.890 0.005 . 1 . 1948 . A 73 ILE HD13 . 19508 1 814 . 1 1 73 73 ILE CB C 13 40.058 0.043 . 1 . 1940 . A 73 ILE CB . 19508 1 815 . 1 1 73 73 ILE CG1 C 13 27.295 0.024 . 1 . 1944 . A 73 ILE CG1 . 19508 1 816 . 1 1 73 73 ILE CG2 C 13 14.533 0.052 . 1 . 1942 . A 73 ILE CG2 . 19508 1 817 . 1 1 73 73 ILE CD1 C 13 17.728 0.04 . 1 . 1947 . A 73 ILE CD1 . 19508 1 818 . 1 1 73 73 ILE N N 15 129.140 0.014 . 1 . 58 . A 73 ILE N . 19508 1 819 . 1 1 74 74 PRO HA H 1 4.228 0.009 . 1 . 1950 . A 74 PRO HA . 19508 1 820 . 1 1 74 74 PRO HB2 H 1 2.313 0.003 . 2 . 1952 . A 74 PRO HB2 . 19508 1 821 . 1 1 74 74 PRO HB3 H 1 1.933 0.004 . 2 . 1953 . A 74 PRO HB3 . 19508 1 822 . 1 1 74 74 PRO HG2 H 1 1.968 0.005 . 2 . 1956 . A 74 PRO HG2 . 19508 1 823 . 1 1 74 74 PRO HG3 H 1 2.157 0.003 . 2 . 1955 . A 74 PRO HG3 . 19508 1 824 . 1 1 74 74 PRO HD2 H 1 4.045 0.004 . 2 . 1958 . A 74 PRO HD2 . 19508 1 825 . 1 1 74 74 PRO HD3 H 1 3.708 0.005 . 2 . 1959 . A 74 PRO HD3 . 19508 1 826 . 1 1 74 74 PRO CA C 13 64.456 0.07 . 1 . 1949 . A 74 PRO CA . 19508 1 827 . 1 1 74 74 PRO CB C 13 31.773 0.081 . 1 . 1951 . A 74 PRO CB . 19508 1 828 . 1 1 74 74 PRO CG C 13 27.767 0.042 . 1 . 1954 . A 74 PRO CG . 19508 1 829 . 1 1 74 74 PRO CD C 13 51.759 0.029 . 1 . 1957 . A 74 PRO CD . 19508 1 830 . 1 1 75 75 GLY H H 1 8.703 0.02 . 1 . 1421 . A 75 GLY H . 19508 1 831 . 1 1 75 75 GLY HA2 H 1 4.225 0.001 . 2 . 1961 . A 75 GLY HA2 . 19508 1 832 . 1 1 75 75 GLY HA3 H 1 3.719 0.02 . 2 . 1962 . A 75 GLY HA3 . 19508 1 833 . 1 1 75 75 GLY C C 13 174.005 . . 1 . 2212 . A 75 GLY C . 19508 1 834 . 1 1 75 75 GLY CA C 13 45.558 0.02 . 1 . 1960 . A 75 GLY CA . 19508 1 835 . 1 1 75 75 GLY N N 15 112.573 . . 1 . 1422 . A 75 GLY N . 19508 1 836 . 1 1 76 76 GLU H H 1 8.197 0.01 . 1 . 107 . A 76 GLU H . 19508 1 837 . 1 1 76 76 GLU HG2 H 1 2.146 0.004 . 2 . 1970 . A 76 GLU HG2 . 19508 1 838 . 1 1 76 76 GLU HG3 H 1 2.248 0.004 . 2 . 1968 . A 76 GLU HG3 . 19508 1 839 . 1 1 76 76 GLU C C 13 175.916 . . 1 . 2213 . A 76 GLU C . 19508 1 840 . 1 1 76 76 GLU CA C 13 56.271 0.008 . 1 . 1500 . A 76 GLU CA . 19508 1 841 . 1 1 76 76 GLU CG C 13 36.080 0.036 . 1 . 1969 . A 76 GLU CG . 19508 1 842 . 1 1 76 76 GLU N N 15 119.016 0.009 . 1 . 108 . A 76 GLU N . 19508 1 843 . 1 1 77 77 GLN H H 1 8.285 0.002 . 1 . 166 . A 77 GLN H . 19508 1 844 . 1 1 77 77 GLN HA H 1 4.525 0.001 . 1 . 1964 . A 77 GLN HA . 19508 1 845 . 1 1 77 77 GLN HB2 H 1 1.823 0.009 . 2 . 1973 . A 77 GLN HB2 . 19508 1 846 . 1 1 77 77 GLN HB3 H 1 1.912 0.002 . 2 . 1971 . A 77 GLN HB3 . 19508 1 847 . 1 1 77 77 GLN HG2 H 1 2.301 0.005 . 1 . 1966 . A 77 GLN HG2 . 19508 1 848 . 1 1 77 77 GLN HG3 H 1 2.301 0.005 . 1 . 1967 . A 77 GLN HG3 . 19508 1 849 . 1 1 77 77 GLN HE21 H 1 7.569 0.002 . 1 . 106 . A 77 GLN HE21 . 19508 1 850 . 1 1 77 77 GLN HE22 H 1 6.931 0.009 . 1 . 29 . A 77 GLN HE22 . 19508 1 851 . 1 1 77 77 GLN CA C 13 55.704 0.092 . 1 . 1963 . A 77 GLN CA . 19508 1 852 . 1 1 77 77 GLN CB C 13 30.981 0.0 . 1 . 1972 . A 77 GLN CB . 19508 1 853 . 1 1 77 77 GLN CG C 13 34.025 0.036 . 1 . 1965 . A 77 GLN CG . 19508 1 854 . 1 1 77 77 GLN N N 15 118.255 0.017 . 1 . 167 . A 77 GLN N . 19508 1 855 . 1 1 77 77 GLN NE2 N 15 112.242 0.0 . 1 . 30 . A 77 GLN NE2 . 19508 1 856 . 1 1 78 78 HIS H H 1 8.560 0.02 . 1 . 1425 . A 78 HIS H . 19508 1 857 . 1 1 78 78 HIS C C 13 173.839 . . 1 . 2214 . A 78 HIS C . 19508 1 858 . 1 1 78 78 HIS CA C 13 55.485 . . 1 . 1504 . A 78 HIS CA . 19508 1 859 . 1 1 78 78 HIS N N 15 121.575 . . 1 . 1426 . A 78 HIS N . 19508 1 860 . 1 1 79 79 PHE H H 1 9.087 0.003 . 1 . 54 . A 79 PHE H . 19508 1 861 . 1 1 79 79 PHE HB2 H 1 2.895 0.006 . 2 . 1975 . A 79 PHE HB2 . 19508 1 862 . 1 1 79 79 PHE HB3 H 1 3.276 0.007 . 2 . 1976 . A 79 PHE HB3 . 19508 1 863 . 1 1 79 79 PHE HD1 H 1 7.136 0.006 . 3 . 1977 . A 79 PHE HD1 . 19508 1 864 . 1 1 79 79 PHE HD2 H 1 7.136 0.006 . 3 . 1977 . A 79 PHE HD2 . 19508 1 865 . 1 1 79 79 PHE C C 13 174.351 . . 1 . 2215 . A 79 PHE C . 19508 1 866 . 1 1 79 79 PHE CA C 13 56.285 . . 1 . 1503 . A 79 PHE CA . 19508 1 867 . 1 1 79 79 PHE CB C 13 40.770 0.069 . 1 . 1974 . A 79 PHE CB . 19508 1 868 . 1 1 79 79 PHE N N 15 125.005 0.021 . 1 . 55 . A 79 PHE N . 19508 1 869 . 1 1 80 80 TYR H H 1 8.866 0.001 . 1 . 207 . A 80 TYR H . 19508 1 870 . 1 1 80 80 TYR HA H 1 5.177 0.004 . 1 . 1912 . A 80 TYR HA . 19508 1 871 . 1 1 80 80 TYR HB2 H 1 2.998 0.002 . 2 . 1980 . A 80 TYR HB2 . 19508 1 872 . 1 1 80 80 TYR HB3 H 1 3.175 0.008 . 2 . 1979 . A 80 TYR HB3 . 19508 1 873 . 1 1 80 80 TYR C C 13 175.253 . . 1 . 2216 . A 80 TYR C . 19508 1 874 . 1 1 80 80 TYR CA C 13 56.763 0.053 . 1 . 1501 . A 80 TYR CA . 19508 1 875 . 1 1 80 80 TYR CB C 13 39.769 0.063 . 1 . 1978 . A 80 TYR CB . 19508 1 876 . 1 1 80 80 TYR N N 15 124.361 0.009 . 1 . 208 . A 80 TYR N . 19508 1 877 . 1 1 81 81 MET H H 1 8.836 0.005 . 1 . 187 . A 81 MET H . 19508 1 878 . 1 1 81 81 MET HA H 1 5.953 0.006 . 1 . 1981 . A 81 MET HA . 19508 1 879 . 1 1 81 81 MET HB2 H 1 1.725 0.005 . 2 . 1982 . A 81 MET HB2 . 19508 1 880 . 1 1 81 81 MET HB3 H 1 1.654 0.004 . 2 . 1984 . A 81 MET HB3 . 19508 1 881 . 1 1 81 81 MET HG2 H 1 1.997 0.005 . 2 . 1987 . A 81 MET HG2 . 19508 1 882 . 1 1 81 81 MET HG3 H 1 2.162 0.005 . 2 . 1986 . A 81 MET HG3 . 19508 1 883 . 1 1 81 81 MET HE1 H 1 1.276 0.001 . 1 . 1988 . A 81 MET HE1 . 19508 1 884 . 1 1 81 81 MET HE2 H 1 1.276 0.001 . 1 . 1988 . A 81 MET HE2 . 19508 1 885 . 1 1 81 81 MET HE3 H 1 1.276 0.001 . 1 . 1988 . A 81 MET HE3 . 19508 1 886 . 1 1 81 81 MET C C 13 175.038 . . 1 . 2217 . A 81 MET C . 19508 1 887 . 1 1 81 81 MET CA C 13 54.451 0.077 . 1 . 1462 . A 81 MET CA . 19508 1 888 . 1 1 81 81 MET CB C 13 38.697 0.059 . 1 . 1983 . A 81 MET CB . 19508 1 889 . 1 1 81 81 MET CG C 13 31.920 0.048 . 1 . 1985 . A 81 MET CG . 19508 1 890 . 1 1 81 81 MET CE C 13 17.187 0.027 . 1 . 1989 . A 81 MET CE . 19508 1 891 . 1 1 81 81 MET N N 15 120.306 0.012 . 1 . 188 . A 81 MET N . 19508 1 892 . 1 1 82 82 LYS H H 1 9.098 0.003 . 1 . 111 . A 82 LYS H . 19508 1 893 . 1 1 82 82 LYS HB2 H 1 0.969 0.012 . 2 . 1990 . A 82 LYS HB2 . 19508 1 894 . 1 1 82 82 LYS HB3 H 1 0.672 0.007 . 2 . 1992 . A 82 LYS HB3 . 19508 1 895 . 1 1 82 82 LYS HG2 H 1 0.707 0.004 . 1 . 1995 . A 82 LYS HG2 . 19508 1 896 . 1 1 82 82 LYS HG3 H 1 0.707 0.004 . 1 . 1993 . A 82 LYS HG3 . 19508 1 897 . 1 1 82 82 LYS HD2 H 1 -0.015 0.009 . 2 . 1998 . A 82 LYS HD2 . 19508 1 898 . 1 1 82 82 LYS HD3 H 1 0.250 0.005 . 2 . 1996 . A 82 LYS HD3 . 19508 1 899 . 1 1 82 82 LYS HE2 H 1 1.771 0.003 . 2 . 2001 . A 82 LYS HE2 . 19508 1 900 . 1 1 82 82 LYS HE3 H 1 1.876 0.002 . 2 . 1999 . A 82 LYS HE3 . 19508 1 901 . 1 1 82 82 LYS C C 13 174.355 . . 1 . 2218 . A 82 LYS C . 19508 1 902 . 1 1 82 82 LYS CA C 13 55.350 0.015 . 1 . 1463 . A 82 LYS CA . 19508 1 903 . 1 1 82 82 LYS CB C 13 36.179 0.043 . 1 . 1991 . A 82 LYS CB . 19508 1 904 . 1 1 82 82 LYS CG C 13 23.881 0.041 . 1 . 1994 . A 82 LYS CG . 19508 1 905 . 1 1 82 82 LYS CD C 13 28.511 0.041 . 1 . 1997 . A 82 LYS CD . 19508 1 906 . 1 1 82 82 LYS CE C 13 40.993 0.049 . 1 . 2000 . A 82 LYS CE . 19508 1 907 . 1 1 82 82 LYS N N 15 121.222 0.006 . 1 . 112 . A 82 LYS N . 19508 1 908 . 1 1 83 83 ALA H H 1 8.732 0.003 . 1 . 211 . A 83 ALA H . 19508 1 909 . 1 1 83 83 ALA HA H 1 4.760 0.02 . 1 . 2273 . A 83 ALA HA . 19508 1 910 . 1 1 83 83 ALA HB1 H 1 1.428 0.005 . 1 . 2003 . A 83 ALA HB1 . 19508 1 911 . 1 1 83 83 ALA HB2 H 1 1.428 0.005 . 1 . 2003 . A 83 ALA HB2 . 19508 1 912 . 1 1 83 83 ALA HB3 H 1 1.428 0.005 . 1 . 2003 . A 83 ALA HB3 . 19508 1 913 . 1 1 83 83 ALA C C 13 177.120 . . 1 . 1507 . A 83 ALA C . 19508 1 914 . 1 1 83 83 ALA CA C 13 49.943 0.008 . 1 . 1464 . A 83 ALA CA . 19508 1 915 . 1 1 83 83 ALA CB C 13 21.326 0.039 . 1 . 2002 . A 83 ALA CB . 19508 1 916 . 1 1 83 83 ALA N N 15 126.680 0.015 . 1 . 212 . A 83 ALA N . 19508 1 917 . 1 1 84 84 VAL H H 1 9.088 0.002 . 1 . 129 . A 84 VAL H . 19508 1 918 . 1 1 84 84 VAL HA H 1 3.815 0.002 . 1 . 2008 . A 84 VAL HA . 19508 1 919 . 1 1 84 84 VAL HB H 1 2.167 0.002 . 1 . 2010 . A 84 VAL HB . 19508 1 920 . 1 1 84 84 VAL HG11 H 1 1.105 0.003 . 2 . 2012 . A 84 VAL HG11 . 19508 1 921 . 1 1 84 84 VAL HG12 H 1 1.105 0.003 . 2 . 2012 . A 84 VAL HG12 . 19508 1 922 . 1 1 84 84 VAL HG13 H 1 1.105 0.003 . 2 . 2012 . A 84 VAL HG13 . 19508 1 923 . 1 1 84 84 VAL HG21 H 1 1.071 0.007 . 2 . 2013 . A 84 VAL HG21 . 19508 1 924 . 1 1 84 84 VAL HG22 H 1 1.071 0.007 . 2 . 2013 . A 84 VAL HG22 . 19508 1 925 . 1 1 84 84 VAL HG23 H 1 1.071 0.007 . 2 . 2013 . A 84 VAL HG23 . 19508 1 926 . 1 1 84 84 VAL C C 13 175.637 . . 1 . 2219 . A 84 VAL C . 19508 1 927 . 1 1 84 84 VAL CA C 13 64.889 0.074 . 1 . 1465 . A 84 VAL CA . 19508 1 928 . 1 1 84 84 VAL CB C 13 32.025 0.025 . 1 . 2009 . A 84 VAL CB . 19508 1 929 . 1 1 84 84 VAL CG1 C 13 21.045 0.012 . 2 . 2011 . A 84 VAL CG1 . 19508 1 930 . 1 1 84 84 VAL CG2 C 13 21.075 0.023 . 2 . 2014 . A 84 VAL CG2 . 19508 1 931 . 1 1 84 84 VAL N N 15 115.360 0.009 . 1 . 130 . A 84 VAL N . 19508 1 932 . 1 1 85 85 ASN H H 1 7.255 0.003 . 1 . 205 . A 85 ASN H . 19508 1 933 . 1 1 85 85 ASN HA H 1 4.445 0.003 . 1 . 2016 . A 85 ASN HA . 19508 1 934 . 1 1 85 85 ASN HB2 H 1 3.196 0.02 . 2 . 2019 . A 85 ASN HB2 . 19508 1 935 . 1 1 85 85 ASN HB3 H 1 3.108 0.02 . 2 . 2017 . A 85 ASN HB3 . 19508 1 936 . 1 1 85 85 ASN HD21 H 1 6.972 0.02 . 1 . 93 . A 85 ASN HD21 . 19508 1 937 . 1 1 85 85 ASN HD22 H 1 7.595 0.02 . 1 . 158 . A 85 ASN HD22 . 19508 1 938 . 1 1 85 85 ASN CA C 13 52.228 0.06 . 1 . 2015 . A 85 ASN CA . 19508 1 939 . 1 1 85 85 ASN CB C 13 39.666 0.065 . 1 . 2018 . A 85 ASN CB . 19508 1 940 . 1 1 85 85 ASN N N 15 109.626 0.006 . 1 . 206 . A 85 ASN N . 19508 1 941 . 1 1 85 85 ASN ND2 N 15 113.564 0.01 . 1 . 94 . A 85 ASN ND2 . 19508 1 942 . 1 1 86 86 ALA H H 1 8.640 0.02 . 1 . 1423 . A 86 ALA H . 19508 1 943 . 1 1 86 86 ALA HA H 1 4.174 0.006 . 1 . 2021 . A 86 ALA HA . 19508 1 944 . 1 1 86 86 ALA HB1 H 1 1.377 0.004 . 1 . 2272 . A 86 ALA HB1 . 19508 1 945 . 1 1 86 86 ALA HB2 H 1 1.377 0.004 . 1 . 2272 . A 86 ALA HB2 . 19508 1 946 . 1 1 86 86 ALA HB3 H 1 1.377 0.004 . 1 . 2272 . A 86 ALA HB3 . 19508 1 947 . 1 1 86 86 ALA C C 13 180.174 . . 1 . 2220 . A 86 ALA C . 19508 1 948 . 1 1 86 86 ALA CA C 13 55.112 0.031 . 1 . 2022 . A 86 ALA CA . 19508 1 949 . 1 1 86 86 ALA CB C 13 18.729 0.044 . 1 . 2285 . A 86 ALA CB . 19508 1 950 . 1 1 86 86 ALA N N 15 122.120 . . 1 . 1424 . A 86 ALA N . 19508 1 951 . 1 1 87 87 ALA H H 1 8.360 0.001 . 1 . 1418 . A 87 ALA H . 19508 1 952 . 1 1 87 87 ALA HA H 1 4.181 0.002 . 1 . 2020 . A 87 ALA HA . 19508 1 953 . 1 1 87 87 ALA HB1 H 1 1.445 0.002 . 1 . 2023 . A 87 ALA HB1 . 19508 1 954 . 1 1 87 87 ALA HB2 H 1 1.445 0.002 . 1 . 2023 . A 87 ALA HB2 . 19508 1 955 . 1 1 87 87 ALA HB3 H 1 1.445 0.002 . 1 . 2023 . A 87 ALA HB3 . 19508 1 956 . 1 1 87 87 ALA C C 13 181.170 . . 1 . 2221 . A 87 ALA C . 19508 1 957 . 1 1 87 87 ALA CA C 13 55.166 0.088 . 1 . 1466 . A 87 ALA CA . 19508 1 958 . 1 1 87 87 ALA CB C 13 17.654 0.023 . 1 . 2024 . A 87 ALA CB . 19508 1 959 . 1 1 87 87 ALA N N 15 124.182 0.037 . 1 . 1417 . A 87 ALA N . 19508 1 960 . 1 1 88 88 GLU H H 1 8.720 0.002 . 1 . 185 . A 88 GLU H . 19508 1 961 . 1 1 88 88 GLU HA H 1 4.238 0.006 . 1 . 2025 . A 88 GLU HA . 19508 1 962 . 1 1 88 88 GLU HB2 H 1 2.067 0.003 . 2 . 2004 . A 88 GLU HB2 . 19508 1 963 . 1 1 88 88 GLU HB3 H 1 2.293 0.004 . 2 . 2027 . A 88 GLU HB3 . 19508 1 964 . 1 1 88 88 GLU HG2 H 1 2.525 0.002 . 1 . 2006 . A 88 GLU HG2 . 19508 1 965 . 1 1 88 88 GLU HG3 H 1 2.525 0.002 . 1 . 2005 . A 88 GLU HG3 . 19508 1 966 . 1 1 88 88 GLU C C 13 178.862 . . 1 . 2222 . A 88 GLU C . 19508 1 967 . 1 1 88 88 GLU CA C 13 59.248 0.077 . 1 . 1467 . A 88 GLU CA . 19508 1 968 . 1 1 88 88 GLU CB C 13 29.937 0.02 . 1 . 2026 . A 88 GLU CB . 19508 1 969 . 1 1 88 88 GLU CG C 13 36.931 0.047 . 1 . 2261 . A 88 GLU CG . 19508 1 970 . 1 1 88 88 GLU N N 15 119.969 0.005 . 1 . 186 . A 88 GLU N . 19508 1 971 . 1 1 89 89 ARG H H 1 7.908 0.004 . 1 . 195 . A 89 ARG H . 19508 1 972 . 1 1 89 89 ARG HA H 1 3.759 0.004 . 1 . 2007 . A 89 ARG HA . 19508 1 973 . 1 1 89 89 ARG HB2 H 1 1.678 0.005 . 2 . 2030 . A 89 ARG HB2 . 19508 1 974 . 1 1 89 89 ARG HB3 H 1 2.329 0.012 . 2 . 2028 . A 89 ARG HB3 . 19508 1 975 . 1 1 89 89 ARG C C 13 177.540 . . 1 . 2223 . A 89 ARG C . 19508 1 976 . 1 1 89 89 ARG CA C 13 61.154 0.07 . 1 . 1428 . A 89 ARG CA . 19508 1 977 . 1 1 89 89 ARG CB C 13 29.703 0.036 . 1 . 2029 . A 89 ARG CB . 19508 1 978 . 1 1 89 89 ARG N N 15 119.258 0.008 . 1 . 196 . A 89 ARG N . 19508 1 979 . 1 1 90 90 GLN H H 1 8.030 0.002 . 1 . 71 . A 90 GLN H . 19508 1 980 . 1 1 90 90 GLN HA H 1 4.009 0.003 . 1 . 2031 . A 90 GLN HA . 19508 1 981 . 1 1 90 90 GLN HB2 H 1 2.211 0.006 . 2 . 2034 . A 90 GLN HB2 . 19508 1 982 . 1 1 90 90 GLN HB3 H 1 2.246 0.003 . 2 . 2032 . A 90 GLN HB3 . 19508 1 983 . 1 1 90 90 GLN HG2 H 1 2.459 0.006 . 2 . 2037 . A 90 GLN HG2 . 19508 1 984 . 1 1 90 90 GLN HG3 H 1 2.490 0.005 . 2 . 2035 . A 90 GLN HG3 . 19508 1 985 . 1 1 90 90 GLN HE21 H 1 6.831 0.003 . 1 . 149 . A 90 GLN HE21 . 19508 1 986 . 1 1 90 90 GLN HE22 H 1 7.307 0.01 . 1 . 17 . A 90 GLN HE22 . 19508 1 987 . 1 1 90 90 GLN C C 13 177.400 . . 1 . 2224 . A 90 GLN C . 19508 1 988 . 1 1 90 90 GLN CA C 13 59.104 0.06 . 1 . 1427 . A 90 GLN CA . 19508 1 989 . 1 1 90 90 GLN CB C 13 27.780 0.031 . 1 . 2033 . A 90 GLN CB . 19508 1 990 . 1 1 90 90 GLN CG C 13 32.962 0.055 . 1 . 2036 . A 90 GLN CG . 19508 1 991 . 1 1 90 90 GLN N N 15 118.561 0.006 . 1 . 72 . A 90 GLN N . 19508 1 992 . 1 1 90 90 GLN NE2 N 15 111.445 0.001 . 1 . 18 . A 90 GLN NE2 . 19508 1 993 . 1 1 91 91 ARG H H 1 7.673 0.003 . 1 . 3 . A 91 ARG H . 19508 1 994 . 1 1 91 91 ARG HA H 1 3.938 0.003 . 1 . 2038 . A 91 ARG HA . 19508 1 995 . 1 1 91 91 ARG HB2 H 1 1.785 0.011 . 2 . 2041 . A 91 ARG HB2 . 19508 1 996 . 1 1 91 91 ARG HB3 H 1 1.869 0.004 . 2 . 2040 . A 91 ARG HB3 . 19508 1 997 . 1 1 91 91 ARG HG2 H 1 1.744 0.003 . 2 . 2043 . A 91 ARG HG2 . 19508 1 998 . 1 1 91 91 ARG HG3 H 1 1.471 0.003 . 2 . 2044 . A 91 ARG HG3 . 19508 1 999 . 1 1 91 91 ARG HD2 H 1 3.177 0.002 . 1 . 2047 . A 91 ARG HD2 . 19508 1 1000 . 1 1 91 91 ARG HD3 H 1 3.177 0.002 . 1 . 2045 . A 91 ARG HD3 . 19508 1 1001 . 1 1 91 91 ARG C C 13 179.997 . . 1 . 2225 . A 91 ARG C . 19508 1 1002 . 1 1 91 91 ARG CA C 13 59.787 0.064 . 1 . 1468 . A 91 ARG CA . 19508 1 1003 . 1 1 91 91 ARG CB C 13 30.409 0.035 . 1 . 2039 . A 91 ARG CB . 19508 1 1004 . 1 1 91 91 ARG CG C 13 27.942 0.019 . 1 . 2042 . A 91 ARG CG . 19508 1 1005 . 1 1 91 91 ARG CD C 13 43.672 0.058 . 1 . 2046 . A 91 ARG CD . 19508 1 1006 . 1 1 91 91 ARG N N 15 118.108 0.005 . 1 . 4 . A 91 ARG N . 19508 1 1007 . 1 1 92 92 TRP H H 1 7.863 0.004 . 1 . 191 . A 92 TRP H . 19508 1 1008 . 1 1 92 92 TRP HA H 1 4.093 0.004 . 1 . 2048 . A 92 TRP HA . 19508 1 1009 . 1 1 92 92 TRP HB2 H 1 3.195 0.006 . 2 . 2051 . A 92 TRP HB2 . 19508 1 1010 . 1 1 92 92 TRP HB3 H 1 2.873 0.004 . 2 . 2050 . A 92 TRP HB3 . 19508 1 1011 . 1 1 92 92 TRP HD1 H 1 7.234 0.013 . 1 . 2290 . A 92 TRP HD1 . 19508 1 1012 . 1 1 92 92 TRP HE1 H 1 10.578 0.0 . 1 . 33 . A 92 TRP HE1 . 19508 1 1013 . 1 1 92 92 TRP HE3 H 1 7.101 0.004 . 1 . 2049 . A 92 TRP HE3 . 19508 1 1014 . 1 1 92 92 TRP HZ2 H 1 6.603 0.004 . 1 . 1552 . A 92 TRP HZ2 . 19508 1 1015 . 1 1 92 92 TRP HZ3 H 1 6.575 0.02 . 1 . 2270 . A 92 TRP HZ3 . 19508 1 1016 . 1 1 92 92 TRP C C 13 178.123 . . 1 . 2226 . A 92 TRP C . 19508 1 1017 . 1 1 92 92 TRP CA C 13 61.653 0.076 . 1 . 1429 . A 92 TRP CA . 19508 1 1018 . 1 1 92 92 TRP CB C 13 28.981 0.059 . 1 . 2052 . A 92 TRP CB . 19508 1 1019 . 1 1 92 92 TRP N N 15 119.458 0.017 . 1 . 192 . A 92 TRP N . 19508 1 1020 . 1 1 92 92 TRP NE1 N 15 130.545 . . 1 . 34 . A 92 TRP NE1 . 19508 1 1021 . 1 1 93 93 LEU H H 1 8.974 0.005 . 1 . 179 . A 93 LEU H . 19508 1 1022 . 1 1 93 93 LEU HA H 1 3.957 0.008 . 1 . 2053 . A 93 LEU HA . 19508 1 1023 . 1 1 93 93 LEU HB2 H 1 1.469 0.002 . 2 . 2056 . A 93 LEU HB2 . 19508 1 1024 . 1 1 93 93 LEU HB3 H 1 1.924 0.004 . 2 . 2055 . A 93 LEU HB3 . 19508 1 1025 . 1 1 93 93 LEU HG H 1 1.855 0.001 . 1 . 2058 . A 93 LEU HG . 19508 1 1026 . 1 1 93 93 LEU HD11 H 1 0.842 0.002 . 2 . 2059 . A 93 LEU HD11 . 19508 1 1027 . 1 1 93 93 LEU HD12 H 1 0.842 0.002 . 2 . 2059 . A 93 LEU HD12 . 19508 1 1028 . 1 1 93 93 LEU HD13 H 1 0.842 0.002 . 2 . 2059 . A 93 LEU HD13 . 19508 1 1029 . 1 1 93 93 LEU HD21 H 1 0.765 0.004 . 2 . 2061 . A 93 LEU HD21 . 19508 1 1030 . 1 1 93 93 LEU HD22 H 1 0.765 0.004 . 2 . 2061 . A 93 LEU HD22 . 19508 1 1031 . 1 1 93 93 LEU HD23 H 1 0.765 0.004 . 2 . 2061 . A 93 LEU HD23 . 19508 1 1032 . 1 1 93 93 LEU C C 13 180.904 . . 1 . 2227 . A 93 LEU C . 19508 1 1033 . 1 1 93 93 LEU CA C 13 58.720 0.061 . 1 . 1469 . A 93 LEU CA . 19508 1 1034 . 1 1 93 93 LEU CB C 13 41.501 0.04 . 1 . 2054 . A 93 LEU CB . 19508 1 1035 . 1 1 93 93 LEU CG C 13 26.604 0.031 . 1 . 2057 . A 93 LEU CG . 19508 1 1036 . 1 1 93 93 LEU CD1 C 13 26.402 0.072 . 2 . 2060 . A 93 LEU CD1 . 19508 1 1037 . 1 1 93 93 LEU CD2 C 13 23.829 0.037 . 2 . 2062 . A 93 LEU CD2 . 19508 1 1038 . 1 1 93 93 LEU N N 15 120.008 0.002 . 1 . 180 . A 93 LEU N . 19508 1 1039 . 1 1 94 94 VAL H H 1 8.189 0.004 . 1 . 13 . A 94 VAL H . 19508 1 1040 . 1 1 94 94 VAL HA H 1 3.661 0.002 . 1 . 2063 . A 94 VAL HA . 19508 1 1041 . 1 1 94 94 VAL HB H 1 2.062 0.003 . 1 . 2064 . A 94 VAL HB . 19508 1 1042 . 1 1 94 94 VAL HG11 H 1 0.904 0.003 . 2 . 2067 . A 94 VAL HG11 . 19508 1 1043 . 1 1 94 94 VAL HG12 H 1 0.904 0.003 . 2 . 2067 . A 94 VAL HG12 . 19508 1 1044 . 1 1 94 94 VAL HG13 H 1 0.904 0.003 . 2 . 2067 . A 94 VAL HG13 . 19508 1 1045 . 1 1 94 94 VAL HG21 H 1 1.074 0.002 . 2 . 2068 . A 94 VAL HG21 . 19508 1 1046 . 1 1 94 94 VAL HG22 H 1 1.074 0.002 . 2 . 2068 . A 94 VAL HG22 . 19508 1 1047 . 1 1 94 94 VAL HG23 H 1 1.074 0.002 . 2 . 2068 . A 94 VAL HG23 . 19508 1 1048 . 1 1 94 94 VAL C C 13 178.715 . . 1 . 2228 . A 94 VAL C . 19508 1 1049 . 1 1 94 94 VAL CA C 13 66.320 0.073 . 1 . 1470 . A 94 VAL CA . 19508 1 1050 . 1 1 94 94 VAL CB C 13 31.862 0.024 . 1 . 2065 . A 94 VAL CB . 19508 1 1051 . 1 1 94 94 VAL CG1 C 13 21.004 0.103 . 2 . 2066 . A 94 VAL CG1 . 19508 1 1052 . 1 1 94 94 VAL CG2 C 13 22.773 0.017 . 2 . 2069 . A 94 VAL CG2 . 19508 1 1053 . 1 1 94 94 VAL N N 15 120.390 0.008 . 1 . 14 . A 94 VAL N . 19508 1 1054 . 1 1 95 95 ALA H H 1 7.281 0.003 . 1 . 79 . A 95 ALA H . 19508 1 1055 . 1 1 95 95 ALA HA H 1 4.090 0.003 . 1 . 2070 . A 95 ALA HA . 19508 1 1056 . 1 1 95 95 ALA HB1 H 1 1.261 0.003 . 1 . 2072 . A 95 ALA HB1 . 19508 1 1057 . 1 1 95 95 ALA HB2 H 1 1.261 0.003 . 1 . 2072 . A 95 ALA HB2 . 19508 1 1058 . 1 1 95 95 ALA HB3 H 1 1.261 0.003 . 1 . 2072 . A 95 ALA HB3 . 19508 1 1059 . 1 1 95 95 ALA C C 13 180.143 . . 1 . 2229 . A 95 ALA C . 19508 1 1060 . 1 1 95 95 ALA CA C 13 55.408 0.068 . 1 . 1471 . A 95 ALA CA . 19508 1 1061 . 1 1 95 95 ALA CB C 13 18.829 0.024 . 1 . 2071 . A 95 ALA CB . 19508 1 1062 . 1 1 95 95 ALA N N 15 123.931 0.015 . 1 . 80 . A 95 ALA N . 19508 1 1063 . 1 1 96 96 LEU H H 1 9.338 0.005 . 1 . 19 . A 96 LEU H . 19508 1 1064 . 1 1 96 96 LEU HA H 1 3.984 0.004 . 1 . 2075 . A 96 LEU HA . 19508 1 1065 . 1 1 96 96 LEU HB2 H 1 1.363 0.004 . 2 . 2077 . A 96 LEU HB2 . 19508 1 1066 . 1 1 96 96 LEU HB3 H 1 1.898 0.005 . 2 . 2073 . A 96 LEU HB3 . 19508 1 1067 . 1 1 96 96 LEU HG H 1 2.271 0.017 . 1 . 2078 . A 96 LEU HG . 19508 1 1068 . 1 1 96 96 LEU HD11 H 1 1.096 0.002 . 2 . 2081 . A 96 LEU HD11 . 19508 1 1069 . 1 1 96 96 LEU HD12 H 1 1.096 0.002 . 2 . 2081 . A 96 LEU HD12 . 19508 1 1070 . 1 1 96 96 LEU HD13 H 1 1.096 0.002 . 2 . 2081 . A 96 LEU HD13 . 19508 1 1071 . 1 1 96 96 LEU HD21 H 1 0.790 0.004 . 2 . 2334 . A 96 LEU HD21 . 19508 1 1072 . 1 1 96 96 LEU HD22 H 1 0.790 0.004 . 2 . 2334 . A 96 LEU HD22 . 19508 1 1073 . 1 1 96 96 LEU HD23 H 1 0.790 0.004 . 2 . 2334 . A 96 LEU HD23 . 19508 1 1074 . 1 1 96 96 LEU C C 13 179.370 . . 1 . 2230 . A 96 LEU C . 19508 1 1075 . 1 1 96 96 LEU CA C 13 57.757 0.07 . 1 . 2076 . A 96 LEU CA . 19508 1 1076 . 1 1 96 96 LEU CB C 13 41.838 0.055 . 1 . 2074 . A 96 LEU CB . 19508 1 1077 . 1 1 96 96 LEU CG C 13 26.871 0.042 . 1 . 2079 . A 96 LEU CG . 19508 1 1078 . 1 1 96 96 LEU CD1 C 13 24.205 0.032 . 2 . 2080 . A 96 LEU CD1 . 19508 1 1079 . 1 1 96 96 LEU CD2 C 13 26.127 0.043 . 2 . 2335 . A 96 LEU CD2 . 19508 1 1080 . 1 1 96 96 LEU N N 15 118.121 0.012 . 1 . 20 . A 96 LEU N . 19508 1 1081 . 1 1 97 97 GLY H H 1 8.228 0.004 . 1 . 203 . A 97 GLY H . 19508 1 1082 . 1 1 97 97 GLY HA2 H 1 3.798 0.006 . 2 . 2083 . A 97 GLY HA2 . 19508 1 1083 . 1 1 97 97 GLY HA3 H 1 3.921 0.005 . 2 . 2082 . A 97 GLY HA3 . 19508 1 1084 . 1 1 97 97 GLY C C 13 176.391 . . 1 . 2231 . A 97 GLY C . 19508 1 1085 . 1 1 97 97 GLY CA C 13 46.627 0.072 . 1 . 1472 . A 97 GLY CA . 19508 1 1086 . 1 1 97 97 GLY N N 15 105.829 0.006 . 1 . 204 . A 97 GLY N . 19508 1 1087 . 1 1 98 98 SER H H 1 7.991 0.004 . 1 . 123 . A 98 SER H . 19508 1 1088 . 1 1 98 98 SER HA H 1 4.353 0.006 . 1 . 2084 . A 98 SER HA . 19508 1 1089 . 1 1 98 98 SER HB2 H 1 3.976 0.016 . 2 . 2087 . A 98 SER HB2 . 19508 1 1090 . 1 1 98 98 SER HB3 H 1 3.957 0.005 . 2 . 2089 . A 98 SER HB3 . 19508 1 1091 . 1 1 98 98 SER C C 13 176.016 . . 1 . 1510 . A 98 SER C . 19508 1 1092 . 1 1 98 98 SER CA C 13 60.876 0.098 . 1 . 1473 . A 98 SER CA . 19508 1 1093 . 1 1 98 98 SER CB C 13 63.110 0.032 . 1 . 2088 . A 98 SER CB . 19508 1 1094 . 1 1 98 98 SER N N 15 117.592 0.02 . 1 . 124 . A 98 SER N . 19508 1 1095 . 1 1 99 99 SER H H 1 7.966 0.001 . 1 . 7 . A 99 SER H . 19508 1 1096 . 1 1 99 99 SER HA H 1 4.334 0.003 . 1 . 2093 . A 99 SER HA . 19508 1 1097 . 1 1 99 99 SER HB2 H 1 3.965 0.011 . 2 . 2090 . A 99 SER HB2 . 19508 1 1098 . 1 1 99 99 SER HB3 H 1 3.910 0.015 . 2 . 2092 . A 99 SER HB3 . 19508 1 1099 . 1 1 99 99 SER C C 13 175.349 . . 1 . 2232 . A 99 SER C . 19508 1 1100 . 1 1 99 99 SER CA C 13 60.584 0.155 . 1 . 1474 . A 99 SER CA . 19508 1 1101 . 1 1 99 99 SER CB C 13 63.867 0.075 . 1 . 2091 . A 99 SER CB . 19508 1 1102 . 1 1 99 99 SER N N 15 116.943 0.019 . 1 . 8 . A 99 SER N . 19508 1 1103 . 1 1 100 100 LYS H H 1 7.708 0.001 . 1 . 181 . A 100 LYS H . 19508 1 1104 . 1 1 100 100 LYS HA H 1 4.063 0.011 . 1 . 2095 . A 100 LYS HA . 19508 1 1105 . 1 1 100 100 LYS HB2 H 1 1.943 0.007 . 2 . 2096 . A 100 LYS HB2 . 19508 1 1106 . 1 1 100 100 LYS HB3 H 1 1.770 0.004 . 2 . 2098 . A 100 LYS HB3 . 19508 1 1107 . 1 1 100 100 LYS HG2 H 1 1.584 0.002 . 2 . 2101 . A 100 LYS HG2 . 19508 1 1108 . 1 1 100 100 LYS HG3 H 1 1.372 0.003 . 2 . 2100 . A 100 LYS HG3 . 19508 1 1109 . 1 1 100 100 LYS HD2 H 1 1.697 0.001 . 2 . 2104 . A 100 LYS HD2 . 19508 1 1110 . 1 1 100 100 LYS HD3 H 1 1.748 0.02 . 2 . 2102 . A 100 LYS HD3 . 19508 1 1111 . 1 1 100 100 LYS HE2 H 1 3.076 0.006 . 2 . 2107 . A 100 LYS HE2 . 19508 1 1112 . 1 1 100 100 LYS HE3 H 1 3.106 0.002 . 2 . 2105 . A 100 LYS HE3 . 19508 1 1113 . 1 1 100 100 LYS C C 13 176.818 . . 1 . 2233 . A 100 LYS C . 19508 1 1114 . 1 1 100 100 LYS CA C 13 57.839 0.125 . 1 . 2094 . A 100 LYS CA . 19508 1 1115 . 1 1 100 100 LYS CB C 13 32.238 0.056 . 1 . 2097 . A 100 LYS CB . 19508 1 1116 . 1 1 100 100 LYS CG C 13 24.757 0.037 . 1 . 2099 . A 100 LYS CG . 19508 1 1117 . 1 1 100 100 LYS CD C 13 28.937 0.045 . 1 . 2103 . A 100 LYS CD . 19508 1 1118 . 1 1 100 100 LYS CE C 13 42.030 0.033 . 1 . 2106 . A 100 LYS CE . 19508 1 1119 . 1 1 100 100 LYS N N 15 119.689 0.019 . 1 . 182 . A 100 LYS N . 19508 1 1120 . 1 1 101 101 ALA H H 1 7.826 0.002 . 1 . 109 . A 101 ALA H . 19508 1 1121 . 1 1 101 101 ALA HA H 1 4.291 0.003 . 1 . 2108 . A 101 ALA HA . 19508 1 1122 . 1 1 101 101 ALA HB1 H 1 1.424 0.003 . 1 . 2109 . A 101 ALA HB1 . 19508 1 1123 . 1 1 101 101 ALA HB2 H 1 1.424 0.003 . 1 . 2109 . A 101 ALA HB2 . 19508 1 1124 . 1 1 101 101 ALA HB3 H 1 1.424 0.003 . 1 . 2109 . A 101 ALA HB3 . 19508 1 1125 . 1 1 101 101 ALA C C 13 177.833 . . 1 . 2234 . A 101 ALA C . 19508 1 1126 . 1 1 101 101 ALA CA C 13 53.194 0.07 . 1 . 1475 . A 101 ALA CA . 19508 1 1127 . 1 1 101 101 ALA CB C 13 19.071 0.06 . 1 . 2110 . A 101 ALA CB . 19508 1 1128 . 1 1 101 101 ALA N N 15 122.140 0.007 . 1 . 110 . A 101 ALA N . 19508 1 1129 . 1 1 102 102 CYS H H 1 7.997 0.003 . 1 . 1419 . A 102 CYS H . 19508 1 1130 . 1 1 102 102 CYS HA H 1 4.454 0.004 . 1 . 2111 . A 102 CYS HA . 19508 1 1131 . 1 1 102 102 CYS HB2 H 1 2.962 0.001 . 1 . 2115 . A 102 CYS HB2 . 19508 1 1132 . 1 1 102 102 CYS HB3 H 1 2.962 0.001 . 1 . 2113 . A 102 CYS HB3 . 19508 1 1133 . 1 1 102 102 CYS C C 13 174.839 . . 1 . 2235 . A 102 CYS C . 19508 1 1134 . 1 1 102 102 CYS CA C 13 59.257 0.125 . 1 . 2112 . A 102 CYS CA . 19508 1 1135 . 1 1 102 102 CYS CB C 13 27.686 0.031 . 1 . 2114 . A 102 CYS CB . 19508 1 1136 . 1 1 102 102 CYS N N 15 117.529 0.009 . 1 . 1420 . A 102 CYS N . 19508 1 1137 . 1 1 103 103 LEU H H 1 8.201 0.006 . 1 . 83 . A 103 LEU H . 19508 1 1138 . 1 1 103 103 LEU HA H 1 4.475 0.003 . 1 . 2116 . A 103 LEU HA . 19508 1 1139 . 1 1 103 103 LEU HB2 H 1 1.623 0.005 . 2 . 2119 . A 103 LEU HB2 . 19508 1 1140 . 1 1 103 103 LEU HB3 H 1 1.724 0.003 . 2 . 2117 . A 103 LEU HB3 . 19508 1 1141 . 1 1 103 103 LEU HG H 1 1.718 0.005 . 1 . 2121 . A 103 LEU HG . 19508 1 1142 . 1 1 103 103 LEU HD11 H 1 0.872 0.001 . 2 . 2122 . A 103 LEU HD11 . 19508 1 1143 . 1 1 103 103 LEU HD12 H 1 0.872 0.001 . 2 . 2122 . A 103 LEU HD12 . 19508 1 1144 . 1 1 103 103 LEU HD13 H 1 0.872 0.001 . 2 . 2122 . A 103 LEU HD13 . 19508 1 1145 . 1 1 103 103 LEU HD21 H 1 0.924 0.002 . 2 . 2124 . A 103 LEU HD21 . 19508 1 1146 . 1 1 103 103 LEU HD22 H 1 0.924 0.002 . 2 . 2124 . A 103 LEU HD22 . 19508 1 1147 . 1 1 103 103 LEU HD23 H 1 0.924 0.002 . 2 . 2124 . A 103 LEU HD23 . 19508 1 1148 . 1 1 103 103 LEU C C 13 177.470 . . 1 . 2236 . A 103 LEU C . 19508 1 1149 . 1 1 103 103 LEU CA C 13 55.411 0.09 . 1 . 1476 . A 103 LEU CA . 19508 1 1150 . 1 1 103 103 LEU CB C 13 42.307 0.021 . 1 . 2118 . A 103 LEU CB . 19508 1 1151 . 1 1 103 103 LEU CG C 13 27.018 0.041 . 1 . 2120 . A 103 LEU CG . 19508 1 1152 . 1 1 103 103 LEU CD1 C 13 23.452 0.06 . 2 . 2123 . A 103 LEU CD1 . 19508 1 1153 . 1 1 103 103 LEU CD2 C 13 25.414 0.082 . 2 . 2125 . A 103 LEU CD2 . 19508 1 1154 . 1 1 103 103 LEU N N 15 124.244 0.018 . 1 . 84 . A 103 LEU N . 19508 1 1155 . 1 1 104 104 THR H H 1 8.084 0.001 . 1 . 174 . A 104 THR H . 19508 1 1156 . 1 1 104 104 THR HA H 1 4.359 0.002 . 1 . 2126 . A 104 THR HA . 19508 1 1157 . 1 1 104 104 THR HB H 1 4.245 0.004 . 1 . 2129 . A 104 THR HB . 19508 1 1158 . 1 1 104 104 THR HG21 H 1 1.192 0.003 . 1 . 2127 . A 104 THR HG21 . 19508 1 1159 . 1 1 104 104 THR HG22 H 1 1.192 0.003 . 1 . 2127 . A 104 THR HG22 . 19508 1 1160 . 1 1 104 104 THR HG23 H 1 1.192 0.003 . 1 . 2127 . A 104 THR HG23 . 19508 1 1161 . 1 1 104 104 THR C C 13 174.069 . . 1 . 2237 . A 104 THR C . 19508 1 1162 . 1 1 104 104 THR CA C 13 61.954 0.076 . 1 . 1477 . A 104 THR CA . 19508 1 1163 . 1 1 104 104 THR CB C 13 69.880 0.077 . 1 . 2128 . A 104 THR CB . 19508 1 1164 . 1 1 104 104 THR CG2 C 13 21.668 0.045 . 1 . 2130 . A 104 THR CG2 . 19508 1 1165 . 1 1 104 104 THR N N 15 114.544 0.016 . 1 . 175 . A 104 THR N . 19508 1 1166 . 1 1 105 105 ASP H H 1 8.340 0.001 . 1 . 41 . A 105 ASP H . 19508 1 1167 . 1 1 105 105 ASP HB2 H 1 2.646 0.003 . 2 . 2132 . A 105 ASP HB2 . 19508 1 1168 . 1 1 105 105 ASP HB3 H 1 2.754 0.004 . 2 . 2131 . A 105 ASP HB3 . 19508 1 1169 . 1 1 105 105 ASP C C 13 176.348 . . 1 . 2238 . A 105 ASP C . 19508 1 1170 . 1 1 105 105 ASP CA C 13 54.445 0.004 . 1 . 1478 . A 105 ASP CA . 19508 1 1171 . 1 1 105 105 ASP CB C 13 41.245 0.05 . 1 . 2133 . A 105 ASP CB . 19508 1 1172 . 1 1 105 105 ASP N N 15 123.310 0.02 . 1 . 42 . A 105 ASP N . 19508 1 1173 . 1 1 106 106 THR H H 1 8.127 0.002 . 1 . 193 . A 106 THR H . 19508 1 1174 . 1 1 106 106 THR HA H 1 4.329 0.001 . 1 . 2134 . A 106 THR HA . 19508 1 1175 . 1 1 106 106 THR HB H 1 4.255 0.005 . 1 . 2137 . A 106 THR HB . 19508 1 1176 . 1 1 106 106 THR HG21 H 1 1.190 0.002 . 1 . 2136 . A 106 THR HG21 . 19508 1 1177 . 1 1 106 106 THR HG22 H 1 1.190 0.002 . 1 . 2136 . A 106 THR HG22 . 19508 1 1178 . 1 1 106 106 THR HG23 H 1 1.190 0.002 . 1 . 2136 . A 106 THR HG23 . 19508 1 1179 . 1 1 106 106 THR C C 13 174.532 . . 1 . 2239 . A 106 THR C . 19508 1 1180 . 1 1 106 106 THR CA C 13 62.010 0.068 . 1 . 2135 . A 106 THR CA . 19508 1 1181 . 1 1 106 106 THR CB C 13 69.646 0.028 . 1 . 2138 . A 106 THR CB . 19508 1 1182 . 1 1 106 106 THR CG2 C 13 21.614 0.051 . 1 . 2333 . A 106 THR CG2 . 19508 1 1183 . 1 1 106 106 THR N N 15 115.066 0.008 . 1 . 194 . A 106 THR N . 19508 1 1184 . 1 1 107 107 ARG H H 1 8.358 0.001 . 1 . 39 . A 107 ARG H . 19508 1 1185 . 1 1 107 107 ARG HA H 1 4.419 0.006 . 1 . 2139 . A 107 ARG HA . 19508 1 1186 . 1 1 107 107 ARG HB2 H 1 1.821 0.009 . 2 . 2142 . A 107 ARG HB2 . 19508 1 1187 . 1 1 107 107 ARG HB3 H 1 1.913 0.002 . 2 . 2140 . A 107 ARG HB3 . 19508 1 1188 . 1 1 107 107 ARG C C 13 175.750 . . 1 . 2240 . A 107 ARG C . 19508 1 1189 . 1 1 107 107 ARG CA C 13 56.332 0.098 . 1 . 1479 . A 107 ARG CA . 19508 1 1190 . 1 1 107 107 ARG CB C 13 30.732 0.062 . 1 . 2141 . A 107 ARG CB . 19508 1 1191 . 1 1 107 107 ARG N N 15 124.233 0.036 . 1 . 40 . A 107 ARG N . 19508 1 1192 . 1 1 108 108 THR H H 1 7.804 0.001 . 1 . 162 . A 108 THR H . 19508 1 1193 . 1 1 108 108 THR HA H 1 4.131 0.002 . 1 . 2143 . A 108 THR HA . 19508 1 1194 . 1 1 108 108 THR HB H 1 4.222 0.0 . 1 . 2146 . A 108 THR HB . 19508 1 1195 . 1 1 108 108 THR HG21 H 1 1.148 0.004 . 1 . 2147 . A 108 THR HG21 . 19508 1 1196 . 1 1 108 108 THR HG22 H 1 1.148 0.004 . 1 . 2147 . A 108 THR HG22 . 19508 1 1197 . 1 1 108 108 THR HG23 H 1 1.148 0.004 . 1 . 2147 . A 108 THR HG23 . 19508 1 1198 . 1 1 108 108 THR CA C 13 63.167 0.017 . 1 . 2144 . A 108 THR CA . 19508 1 1199 . 1 1 108 108 THR CB C 13 70.707 0.009 . 1 . 2145 . A 108 THR CB . 19508 1 1200 . 1 1 108 108 THR CG2 C 13 21.990 0.03 . 1 . 2148 . A 108 THR CG2 . 19508 1 1201 . 1 1 108 108 THR N N 15 120.534 0.006 . 1 . 163 . A 108 THR N . 19508 1 stop_ save_