data_6475 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6475 _Entry.Title ; 1H, 13C and 15N Chemical Shift assignments for Man5C-CBM35 from C. japonicus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-01-31 _Entry.Accession_date 2005-01-31 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'Valine and Leucine methyls stereospecifically assigned' _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 Richard Tunnicliffe . B. . 6475 2 Mike Williamson . P. . 6475 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6475 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 835 6475 '13C chemical shifts' 524 6475 '15N chemical shifts' 133 6475 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 . . 2006-11-13 . update author 'update PDB link, etc.' 6475 2 . . 2005-05-27 . original author 'original release' 6475 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6475 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15740741 _Citation.Full_citation . _Citation.Title ; Structure of a Mannan-specific Family 35 Carbohydrate-Binding Module: Evidence for Significant Conformational Changes upon Ligand Binding ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 347 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 287 _Citation.Page_last 296 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Richard Tunnicliffe . B . 6475 1 2 David Bolam . N . 6475 1 3 Gavin Pell . . . 6475 1 4 Harry Gilbert . J . 6475 1 5 Mike Williamson . P . 6475 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'carbohydrate-binding module' 6475 1 'NMR structure' 6475 1 mannan 6475 1 'binding specificity' 6475 1 'decorated oligosaccharides' 6475 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6475 _Assembly.ID 1 _Assembly.Name 'Man5C CBM35 Mannan Binding Module' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 14933.7 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6475 1 stop_ 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 Man5C-CBM35 1 $Man5C-CBM35 . . . native . . . . . 6475 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Man5C CBM35 Mannan Binding Module' system 6475 1 'Man5C CBM35 Mannan Binding Module' abbreviation 6475 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Man5C-CBM35 _Entity.Sf_category entity _Entity.Sf_framecode Man5C-CBM35 _Entity.Entry_ID 6475 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Man5C-CBM35 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAVPEGNSWTYTAASASITA PAQLVGNVGELQGAGSAVIW NVDVPVTGEYRINLTWSSPY SSKVNTLVMDGTALSYAFAE ATVPVTYVQTKTLSAGNHSF GVRVGSSDWGYMNVHSLKLE LLGGLTIRSPAN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14933.7 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2BGO . "Mannan Binding Module From Man5c" . . . . . 100.00 140 100.00 100.00 2.35e-88 . . . . 6475 1 2 no PDB 2BGP . "Mannan Binding Module From Man5c In Bound Conformation" . . . . . 100.00 140 100.00 100.00 2.35e-88 . . . . 6475 1 3 no GB AAO31761 . "endo-b1,4-mannanase 5C [Cellvibrio japonicus]" . . . . . 100.00 830 100.00 100.00 3.88e-81 . . . . 6475 1 4 no GB ACE82655 . "endo-1, 4-beta mannanase, man5C [Cellvibrio japonicus Ueda107]" . . . . . 100.00 830 100.00 100.00 5.30e-81 . . . . 6475 1 5 no REF WP_012489045 . "endo- 1,4-beta-mannanase [Cellvibrio japonicus]" . . . . . 100.00 830 100.00 100.00 5.30e-81 . . . . 6475 1 6 no REF YP_001983923 . "endo- 1,4-beta-mannanase [Cellvibrio japonicus Ueda107]" . . . . . 100.00 830 100.00 100.00 5.30e-81 . . . . 6475 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Mannan binding module' 6475 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Man5C-CBM35 common 6475 1 Man5C-CBM35 abbreviation 6475 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6475 1 2 . ALA . 6475 1 3 . VAL . 6475 1 4 . PRO . 6475 1 5 . GLU . 6475 1 6 . GLY . 6475 1 7 . ASN . 6475 1 8 . SER . 6475 1 9 . TRP . 6475 1 10 . THR . 6475 1 11 . TYR . 6475 1 12 . THR . 6475 1 13 . ALA . 6475 1 14 . ALA . 6475 1 15 . SER . 6475 1 16 . ALA . 6475 1 17 . SER . 6475 1 18 . ILE . 6475 1 19 . THR . 6475 1 20 . ALA . 6475 1 21 . PRO . 6475 1 22 . ALA . 6475 1 23 . GLN . 6475 1 24 . LEU . 6475 1 25 . VAL . 6475 1 26 . GLY . 6475 1 27 . ASN . 6475 1 28 . VAL . 6475 1 29 . GLY . 6475 1 30 . GLU . 6475 1 31 . LEU . 6475 1 32 . GLN . 6475 1 33 . GLY . 6475 1 34 . ALA . 6475 1 35 . GLY . 6475 1 36 . SER . 6475 1 37 . ALA . 6475 1 38 . VAL . 6475 1 39 . ILE . 6475 1 40 . TRP . 6475 1 41 . ASN . 6475 1 42 . VAL . 6475 1 43 . ASP . 6475 1 44 . VAL . 6475 1 45 . PRO . 6475 1 46 . VAL . 6475 1 47 . THR . 6475 1 48 . GLY . 6475 1 49 . GLU . 6475 1 50 . TYR . 6475 1 51 . ARG . 6475 1 52 . ILE . 6475 1 53 . ASN . 6475 1 54 . LEU . 6475 1 55 . THR . 6475 1 56 . TRP . 6475 1 57 . SER . 6475 1 58 . SER . 6475 1 59 . PRO . 6475 1 60 . TYR . 6475 1 61 . SER . 6475 1 62 . SER . 6475 1 63 . LYS . 6475 1 64 . VAL . 6475 1 65 . ASN . 6475 1 66 . THR . 6475 1 67 . LEU . 6475 1 68 . VAL . 6475 1 69 . MET . 6475 1 70 . ASP . 6475 1 71 . GLY . 6475 1 72 . THR . 6475 1 73 . ALA . 6475 1 74 . LEU . 6475 1 75 . SER . 6475 1 76 . TYR . 6475 1 77 . ALA . 6475 1 78 . PHE . 6475 1 79 . ALA . 6475 1 80 . GLU . 6475 1 81 . ALA . 6475 1 82 . THR . 6475 1 83 . VAL . 6475 1 84 . PRO . 6475 1 85 . VAL . 6475 1 86 . THR . 6475 1 87 . TYR . 6475 1 88 . VAL . 6475 1 89 . GLN . 6475 1 90 . THR . 6475 1 91 . LYS . 6475 1 92 . THR . 6475 1 93 . LEU . 6475 1 94 . SER . 6475 1 95 . ALA . 6475 1 96 . GLY . 6475 1 97 . ASN . 6475 1 98 . HIS . 6475 1 99 . SER . 6475 1 100 . PHE . 6475 1 101 . GLY . 6475 1 102 . VAL . 6475 1 103 . ARG . 6475 1 104 . VAL . 6475 1 105 . GLY . 6475 1 106 . SER . 6475 1 107 . SER . 6475 1 108 . ASP . 6475 1 109 . TRP . 6475 1 110 . GLY . 6475 1 111 . TYR . 6475 1 112 . MET . 6475 1 113 . ASN . 6475 1 114 . VAL . 6475 1 115 . HIS . 6475 1 116 . SER . 6475 1 117 . LEU . 6475 1 118 . LYS . 6475 1 119 . LEU . 6475 1 120 . GLU . 6475 1 121 . LEU . 6475 1 122 . LEU . 6475 1 123 . GLY . 6475 1 124 . GLY . 6475 1 125 . LEU . 6475 1 126 . THR . 6475 1 127 . ILE . 6475 1 128 . ARG . 6475 1 129 . SER . 6475 1 130 . PRO . 6475 1 131 . ALA . 6475 1 132 . ASN . 6475 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6475 1 . ALA 2 2 6475 1 . VAL 3 3 6475 1 . PRO 4 4 6475 1 . GLU 5 5 6475 1 . GLY 6 6 6475 1 . ASN 7 7 6475 1 . SER 8 8 6475 1 . TRP 9 9 6475 1 . THR 10 10 6475 1 . TYR 11 11 6475 1 . THR 12 12 6475 1 . ALA 13 13 6475 1 . ALA 14 14 6475 1 . SER 15 15 6475 1 . ALA 16 16 6475 1 . SER 17 17 6475 1 . ILE 18 18 6475 1 . THR 19 19 6475 1 . ALA 20 20 6475 1 . PRO 21 21 6475 1 . ALA 22 22 6475 1 . GLN 23 23 6475 1 . LEU 24 24 6475 1 . VAL 25 25 6475 1 . GLY 26 26 6475 1 . ASN 27 27 6475 1 . VAL 28 28 6475 1 . GLY 29 29 6475 1 . GLU 30 30 6475 1 . LEU 31 31 6475 1 . GLN 32 32 6475 1 . GLY 33 33 6475 1 . ALA 34 34 6475 1 . GLY 35 35 6475 1 . SER 36 36 6475 1 . ALA 37 37 6475 1 . VAL 38 38 6475 1 . ILE 39 39 6475 1 . TRP 40 40 6475 1 . ASN 41 41 6475 1 . VAL 42 42 6475 1 . ASP 43 43 6475 1 . VAL 44 44 6475 1 . PRO 45 45 6475 1 . VAL 46 46 6475 1 . THR 47 47 6475 1 . GLY 48 48 6475 1 . GLU 49 49 6475 1 . TYR 50 50 6475 1 . ARG 51 51 6475 1 . ILE 52 52 6475 1 . ASN 53 53 6475 1 . LEU 54 54 6475 1 . THR 55 55 6475 1 . TRP 56 56 6475 1 . SER 57 57 6475 1 . SER 58 58 6475 1 . PRO 59 59 6475 1 . TYR 60 60 6475 1 . SER 61 61 6475 1 . SER 62 62 6475 1 . LYS 63 63 6475 1 . VAL 64 64 6475 1 . ASN 65 65 6475 1 . THR 66 66 6475 1 . LEU 67 67 6475 1 . VAL 68 68 6475 1 . MET 69 69 6475 1 . ASP 70 70 6475 1 . GLY 71 71 6475 1 . THR 72 72 6475 1 . ALA 73 73 6475 1 . LEU 74 74 6475 1 . SER 75 75 6475 1 . TYR 76 76 6475 1 . ALA 77 77 6475 1 . PHE 78 78 6475 1 . ALA 79 79 6475 1 . GLU 80 80 6475 1 . ALA 81 81 6475 1 . THR 82 82 6475 1 . VAL 83 83 6475 1 . PRO 84 84 6475 1 . VAL 85 85 6475 1 . THR 86 86 6475 1 . TYR 87 87 6475 1 . VAL 88 88 6475 1 . GLN 89 89 6475 1 . THR 90 90 6475 1 . LYS 91 91 6475 1 . THR 92 92 6475 1 . LEU 93 93 6475 1 . SER 94 94 6475 1 . ALA 95 95 6475 1 . GLY 96 96 6475 1 . ASN 97 97 6475 1 . HIS 98 98 6475 1 . SER 99 99 6475 1 . PHE 100 100 6475 1 . GLY 101 101 6475 1 . VAL 102 102 6475 1 . ARG 103 103 6475 1 . VAL 104 104 6475 1 . GLY 105 105 6475 1 . SER 106 106 6475 1 . SER 107 107 6475 1 . ASP 108 108 6475 1 . TRP 109 109 6475 1 . GLY 110 110 6475 1 . TYR 111 111 6475 1 . MET 112 112 6475 1 . ASN 113 113 6475 1 . VAL 114 114 6475 1 . HIS 115 115 6475 1 . SER 116 116 6475 1 . LEU 117 117 6475 1 . LYS 118 118 6475 1 . LEU 119 119 6475 1 . GLU 120 120 6475 1 . LEU 121 121 6475 1 . LEU 122 122 6475 1 . GLY 123 123 6475 1 . GLY 124 124 6475 1 . LEU 125 125 6475 1 . THR 126 126 6475 1 . ILE 127 127 6475 1 . ARG 128 128 6475 1 . SER 129 129 6475 1 . PRO 130 130 6475 1 . ALA 131 131 6475 1 . ASN 132 132 6475 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 6475 _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 $Man5C-CBM35 . 155077 organism . 'Cellvibrio Cellvibrio japonicus' 'Cellvibrio japonicus' . . Bacteria . Cellvibrio 'Cellvibrio japonicus' . . . . . . . . . . . . . . . . . . . . . 6475 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 6475 _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 $Man5C-CBM35 . 'recombinant technology' 'Escherichia Coli' 'E. coli' . . Escherichia Coli 'JM83 (DE3)' . . . . . . . . . . . . Plasmid . . pET22b . . . . . . 6475 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6475 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Man5C-CBM35 '[U-95% 13C; U-95% 15N]' . . 1 $Man5C-CBM35 . . 1.0 . . mM . . . . 6475 1 2 'sodium phosphate' . . . . . . . 50 . . mM . . . . 6475 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6475 _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 pH 6.0 0.1 pH 6475 1 temperature 298 0.5 K 6475 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6475 _Software.ID 1 _Software.Name Felix _Software.Version 2000 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Accelrys 'San Diego, CA' . 6475 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Processing 6475 1 analysis 6475 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6475 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6475 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 6475 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6475 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 800 . . . 6475 1 2 NMR_spectrometer_2 Bruker DRX . 500 . . . 6475 1 3 NMR_spectrometer_3 Bruker DRX . 600 . . . 6475 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 6475 _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 'HSQC (15N and 13C)' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6475 1 2 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6475 1 3 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6475 1 4 HN(CA)CO . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6475 1 5 HN(CO)CA . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6475 1 6 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6475 1 7 HBHA(CBCACO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6475 1 8 CCH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6475 1 9 HCCH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6475 1 10 '15N,13C-edited NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6475 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6475 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 'HSQC (15N and 13C)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6475 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6475 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6475 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6475 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6475 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6475 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HBHA(CBCACO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6475 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6475 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6475 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '15N,13C-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6475 _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 H 1 TSP 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . 1 $citation_1 . . 1 $citation_1 6475 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 6475 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 6475 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6475 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 'HSQC (15N and 13C)' 1 $sample_1 . 6475 1 2 HNCO 1 $sample_1 . 6475 1 3 HNCA 1 $sample_1 . 6475 1 4 HN(CA)CO 1 $sample_1 . 6475 1 5 HN(CO)CA 1 $sample_1 . 6475 1 6 CBCA(CO)NH 1 $sample_1 . 6475 1 7 HBHA(CBCACO)NH 1 $sample_1 . 6475 1 8 CCH-TOCSY 1 $sample_1 . 6475 1 9 HCCH-TOCSY 1 $sample_1 . 6475 1 10 '15N,13C-edited NOESY' 1 $sample_1 . 6475 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 6475 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 ALA HA H 1 4.038 0.02 . 1 . . . . . . . . 6475 1 2 . 1 1 2 2 ALA HB1 H 1 1.396 0.02 . 1 . . . . . . . . 6475 1 3 . 1 1 2 2 ALA HB2 H 1 1.396 0.02 . 1 . . . . . . . . 6475 1 4 . 1 1 2 2 ALA HB3 H 1 1.396 0.02 . 1 . . . . . . . . 6475 1 5 . 1 1 2 2 ALA C C 13 173.630 0.1 . 1 . . . . . . . . 6475 1 6 . 1 1 2 2 ALA CA C 13 51.430 0.1 . 1 . . . . . . . . 6475 1 7 . 1 1 2 2 ALA CB C 13 19.170 0.1 . 1 . . . . . . . . 6475 1 8 . 1 1 3 3 VAL H H 1 8.400 0.02 . 1 . . . . . . . . 6475 1 9 . 1 1 3 3 VAL HA H 1 4.391 0.02 . 1 . . . . . . . . 6475 1 10 . 1 1 3 3 VAL HB H 1 2.010 0.02 . 1 . . . . . . . . 6475 1 11 . 1 1 3 3 VAL HG11 H 1 0.889 0.02 . 1 . . . . . . . . 6475 1 12 . 1 1 3 3 VAL HG12 H 1 0.889 0.02 . 1 . . . . . . . . 6475 1 13 . 1 1 3 3 VAL HG13 H 1 0.889 0.02 . 1 . . . . . . . . 6475 1 14 . 1 1 3 3 VAL HG21 H 1 0.828 0.02 . 1 . . . . . . . . 6475 1 15 . 1 1 3 3 VAL HG22 H 1 0.828 0.02 . 1 . . . . . . . . 6475 1 16 . 1 1 3 3 VAL HG23 H 1 0.828 0.02 . 1 . . . . . . . . 6475 1 17 . 1 1 3 3 VAL C C 13 174.310 0.1 . 1 . . . . . . . . 6475 1 18 . 1 1 3 3 VAL CA C 13 59.755 0.1 . 1 . . . . . . . . 6475 1 19 . 1 1 3 3 VAL CB C 13 32.147 0.1 . 1 . . . . . . . . 6475 1 20 . 1 1 3 3 VAL CG1 C 13 20.817 0.1 . 1 . . . . . . . . 6475 1 21 . 1 1 3 3 VAL CG2 C 13 19.887 0.1 . 1 . . . . . . . . 6475 1 22 . 1 1 3 3 VAL N N 15 120.350 0.1 . 1 . . . . . . . . 6475 1 23 . 1 1 4 4 PRO HA H 1 4.306 0.02 . 1 . . . . . . . . 6475 1 24 . 1 1 4 4 PRO HB2 H 1 1.779 0.02 . 2 . . . . . . . . 6475 1 25 . 1 1 4 4 PRO HB3 H 1 2.172 0.02 . 2 . . . . . . . . 6475 1 26 . 1 1 4 4 PRO HG2 H 1 1.096 0.02 . 2 . . . . . . . . 6475 1 27 . 1 1 4 4 PRO HG3 H 1 1.574 0.02 . 2 . . . . . . . . 6475 1 28 . 1 1 4 4 PRO HD2 H 1 3.536 0.02 . 2 . . . . . . . . 6475 1 29 . 1 1 4 4 PRO HD3 H 1 3.777 0.02 . 2 . . . . . . . . 6475 1 30 . 1 1 4 4 PRO C C 13 176.505 0.1 . 1 . . . . . . . . 6475 1 31 . 1 1 4 4 PRO CA C 13 63.023 0.1 . 1 . . . . . . . . 6475 1 32 . 1 1 4 4 PRO CB C 13 31.729 0.1 . 1 . . . . . . . . 6475 1 33 . 1 1 4 4 PRO CG C 13 27.163 0.1 . 1 . . . . . . . . 6475 1 34 . 1 1 4 4 PRO CD C 13 50.597 0.1 . 1 . . . . . . . . 6475 1 35 . 1 1 5 5 GLU H H 1 8.435 0.02 . 1 . . . . . . . . 6475 1 36 . 1 1 5 5 GLU HA H 1 4.144 0.02 . 1 . . . . . . . . 6475 1 37 . 1 1 5 5 GLU HB2 H 1 1.847 0.02 . 2 . . . . . . . . 6475 1 38 . 1 1 5 5 GLU HB3 H 1 1.914 0.02 . 2 . . . . . . . . 6475 1 39 . 1 1 5 5 GLU HG2 H 1 2.194 0.02 . 1 . . . . . . . . 6475 1 40 . 1 1 5 5 GLU HG3 H 1 2.194 0.02 . 1 . . . . . . . . 6475 1 41 . 1 1 5 5 GLU C C 13 176.856 0.1 . 1 . . . . . . . . 6475 1 42 . 1 1 5 5 GLU CA C 13 56.708 0.1 . 1 . . . . . . . . 6475 1 43 . 1 1 5 5 GLU CB C 13 30.066 0.1 . 1 . . . . . . . . 6475 1 44 . 1 1 5 5 GLU CG C 13 36.051 0.1 . 1 . . . . . . . . 6475 1 45 . 1 1 5 5 GLU N N 15 121.529 0.1 . 1 . . . . . . . . 6475 1 46 . 1 1 6 6 GLY H H 1 8.323 0.02 . 1 . . . . . . . . 6475 1 47 . 1 1 6 6 GLY HA2 H 1 3.745 0.02 . 2 . . . . . . . . 6475 1 48 . 1 1 6 6 GLY HA3 H 1 3.863 0.02 . 2 . . . . . . . . 6475 1 49 . 1 1 6 6 GLY C C 13 173.327 0.1 . 1 . . . . . . . . 6475 1 50 . 1 1 6 6 GLY CA C 13 44.981 0.1 . 1 . . . . . . . . 6475 1 51 . 1 1 6 6 GLY N N 15 109.932 0.1 . 1 . . . . . . . . 6475 1 52 . 1 1 7 7 ASN H H 1 8.027 0.02 . 1 . . . . . . . . 6475 1 53 . 1 1 7 7 ASN HA H 1 4.392 0.02 . 1 . . . . . . . . 6475 1 54 . 1 1 7 7 ASN HB2 H 1 2.711 0.02 . 1 . . . . . . . . 6475 1 55 . 1 1 7 7 ASN HB3 H 1 2.711 0.02 . 1 . . . . . . . . 6475 1 56 . 1 1 7 7 ASN HD21 H 1 7.310 0.02 . 2 . . . . . . . . 6475 1 57 . 1 1 7 7 ASN HD22 H 1 6.740 0.02 . 2 . . . . . . . . 6475 1 58 . 1 1 7 7 ASN C C 13 172.853 0.1 . 1 . . . . . . . . 6475 1 59 . 1 1 7 7 ASN CA C 13 52.597 0.1 . 1 . . . . . . . . 6475 1 60 . 1 1 7 7 ASN CB C 13 39.098 0.1 . 1 . . . . . . . . 6475 1 61 . 1 1 7 7 ASN N N 15 117.021 0.1 . 1 . . . . . . . . 6475 1 62 . 1 1 7 7 ASN ND2 N 15 112.200 0.1 . 1 . . . . . . . . 6475 1 63 . 1 1 8 8 SER H H 1 6.677 0.02 . 1 . . . . . . . . 6475 1 64 . 1 1 8 8 SER HA H 1 5.000 0.02 . 1 . . . . . . . . 6475 1 65 . 1 1 8 8 SER HB2 H 1 3.387 0.02 . 2 . . . . . . . . 6475 1 66 . 1 1 8 8 SER HB3 H 1 3.431 0.02 . 2 . . . . . . . . 6475 1 67 . 1 1 8 8 SER C C 13 172.060 0.1 . 1 . . . . . . . . 6475 1 68 . 1 1 8 8 SER CA C 13 56.580 0.1 . 1 . . . . . . . . 6475 1 69 . 1 1 8 8 SER CB C 13 65.256 0.1 . 1 . . . . . . . . 6475 1 70 . 1 1 8 8 SER N N 15 111.885 0.1 . 1 . . . . . . . . 6475 1 71 . 1 1 9 9 TRP H H 1 8.780 0.02 . 1 . . . . . . . . 6475 1 72 . 1 1 9 9 TRP HA H 1 4.531 0.02 . 1 . . . . . . . . 6475 1 73 . 1 1 9 9 TRP HB2 H 1 2.990 0.02 . 2 . . . . . . . . 6475 1 74 . 1 1 9 9 TRP HB3 H 1 3.031 0.02 . 2 . . . . . . . . 6475 1 75 . 1 1 9 9 TRP HD1 H 1 7.219 0.02 . 1 . . . . . . . . 6475 1 76 . 1 1 9 9 TRP HE1 H 1 10.094 0.02 . 1 . . . . . . . . 6475 1 77 . 1 1 9 9 TRP HE3 H 1 7.636 0.02 . 1 . . . . . . . . 6475 1 78 . 1 1 9 9 TRP HZ2 H 1 7.411 0.02 . 1 . . . . . . . . 6475 1 79 . 1 1 9 9 TRP HZ3 H 1 6.948 0.02 . 1 . . . . . . . . 6475 1 80 . 1 1 9 9 TRP HH2 H 1 7.022 0.02 . 1 . . . . . . . . 6475 1 81 . 1 1 9 9 TRP C C 13 173.969 0.1 . 1 . . . . . . . . 6475 1 82 . 1 1 9 9 TRP CA C 13 58.572 0.1 . 1 . . . . . . . . 6475 1 83 . 1 1 9 9 TRP CB C 13 32.903 0.1 . 1 . . . . . . . . 6475 1 84 . 1 1 9 9 TRP CD1 C 13 127.360 0.1 . 1 . . . . . . . . 6475 1 85 . 1 1 9 9 TRP CE3 C 13 121.034 0.1 . 1 . . . . . . . . 6475 1 86 . 1 1 9 9 TRP CZ2 C 13 114.890 0.1 . 1 . . . . . . . . 6475 1 87 . 1 1 9 9 TRP CZ3 C 13 120.901 0.1 . 1 . . . . . . . . 6475 1 88 . 1 1 9 9 TRP CH2 C 13 123.104 0.1 . 1 . . . . . . . . 6475 1 89 . 1 1 9 9 TRP N N 15 122.941 0.1 . 1 . . . . . . . . 6475 1 90 . 1 1 9 9 TRP NE1 N 15 129.949 0.1 . 1 . . . . . . . . 6475 1 91 . 1 1 10 10 THR H H 1 8.220 0.02 . 1 . . . . . . . . 6475 1 92 . 1 1 10 10 THR HA H 1 4.874 0.02 . 1 . . . . . . . . 6475 1 93 . 1 1 10 10 THR HB H 1 3.695 0.02 . 1 . . . . . . . . 6475 1 94 . 1 1 10 10 THR HG21 H 1 0.904 0.02 . 1 . . . . . . . . 6475 1 95 . 1 1 10 10 THR HG22 H 1 0.904 0.02 . 1 . . . . . . . . 6475 1 96 . 1 1 10 10 THR HG23 H 1 0.904 0.02 . 1 . . . . . . . . 6475 1 97 . 1 1 10 10 THR C C 13 172.746 0.1 . 1 . . . . . . . . 6475 1 98 . 1 1 10 10 THR CA C 13 61.739 0.1 . 1 . . . . . . . . 6475 1 99 . 1 1 10 10 THR CB C 13 69.903 0.1 . 1 . . . . . . . . 6475 1 100 . 1 1 10 10 THR CG2 C 13 20.723 0.1 . 1 . . . . . . . . 6475 1 101 . 1 1 10 10 THR N N 15 118.337 0.1 . 1 . . . . . . . . 6475 1 102 . 1 1 11 11 TYR H H 1 9.371 0.02 . 1 . . . . . . . . 6475 1 103 . 1 1 11 11 TYR HA H 1 4.833 0.02 . 1 . . . . . . . . 6475 1 104 . 1 1 11 11 TYR HB2 H 1 2.055 0.02 . 2 . . . . . . . . 6475 1 105 . 1 1 11 11 TYR HB3 H 1 3.024 0.02 . 2 . . . . . . . . 6475 1 106 . 1 1 11 11 TYR HD1 H 1 6.867 0.02 . 1 . . . . . . . . 6475 1 107 . 1 1 11 11 TYR HD2 H 1 6.867 0.02 . 1 . . . . . . . . 6475 1 108 . 1 1 11 11 TYR HE1 H 1 6.621 0.02 . 1 . . . . . . . . 6475 1 109 . 1 1 11 11 TYR HE2 H 1 6.621 0.02 . 1 . . . . . . . . 6475 1 110 . 1 1 11 11 TYR C C 13 176.153 0.1 . 1 . . . . . . . . 6475 1 111 . 1 1 11 11 TYR CA C 13 56.050 0.1 . 1 . . . . . . . . 6475 1 112 . 1 1 11 11 TYR CB C 13 41.441 0.1 . 1 . . . . . . . . 6475 1 113 . 1 1 11 11 TYR CD1 C 13 133.460 0.1 . 1 . . . . . . . . 6475 1 114 . 1 1 11 11 TYR CE1 C 13 117.767 0.1 . 1 . . . . . . . . 6475 1 115 . 1 1 11 11 TYR N N 15 126.040 0.1 . 1 . . . . . . . . 6475 1 116 . 1 1 12 12 THR H H 1 9.153 0.02 . 1 . . . . . . . . 6475 1 117 . 1 1 12 12 THR HA H 1 5.100 0.02 . 1 . . . . . . . . 6475 1 118 . 1 1 12 12 THR HB H 1 5.057 0.02 . 1 . . . . . . . . 6475 1 119 . 1 1 12 12 THR HG21 H 1 1.339 0.02 . 1 . . . . . . . . 6475 1 120 . 1 1 12 12 THR HG22 H 1 1.339 0.02 . 1 . . . . . . . . 6475 1 121 . 1 1 12 12 THR HG23 H 1 1.339 0.02 . 1 . . . . . . . . 6475 1 122 . 1 1 12 12 THR C C 13 177.572 0.1 . 1 . . . . . . . . 6475 1 123 . 1 1 12 12 THR CA C 13 60.995 0.1 . 1 . . . . . . . . 6475 1 124 . 1 1 12 12 THR CB C 13 70.414 0.1 . 1 . . . . . . . . 6475 1 125 . 1 1 12 12 THR CG2 C 13 20.714 0.1 . 1 . . . . . . . . 6475 1 126 . 1 1 12 12 THR N N 15 112.941 0.1 . 1 . . . . . . . . 6475 1 127 . 1 1 13 13 ALA H H 1 8.252 0.02 . 1 . . . . . . . . 6475 1 128 . 1 1 13 13 ALA HA H 1 3.862 0.02 . 1 . . . . . . . . 6475 1 129 . 1 1 13 13 ALA HB1 H 1 1.158 0.02 . 1 . . . . . . . . 6475 1 130 . 1 1 13 13 ALA HB2 H 1 1.158 0.02 . 1 . . . . . . . . 6475 1 131 . 1 1 13 13 ALA HB3 H 1 1.158 0.02 . 1 . . . . . . . . 6475 1 132 . 1 1 13 13 ALA C C 13 176.803 0.1 . 1 . . . . . . . . 6475 1 133 . 1 1 13 13 ALA CA C 13 55.234 0.1 . 1 . . . . . . . . 6475 1 134 . 1 1 13 13 ALA CB C 13 17.796 0.1 . 1 . . . . . . . . 6475 1 135 . 1 1 13 13 ALA N N 15 124.543 0.1 . 1 . . . . . . . . 6475 1 136 . 1 1 14 14 ALA H H 1 7.858 0.02 . 1 . . . . . . . . 6475 1 137 . 1 1 14 14 ALA HA H 1 4.112 0.02 . 1 . . . . . . . . 6475 1 138 . 1 1 14 14 ALA HB1 H 1 1.417 0.02 . 1 . . . . . . . . 6475 1 139 . 1 1 14 14 ALA HB2 H 1 1.417 0.02 . 1 . . . . . . . . 6475 1 140 . 1 1 14 14 ALA HB3 H 1 1.417 0.02 . 1 . . . . . . . . 6475 1 141 . 1 1 14 14 ALA C C 13 178.471 0.1 . 1 . . . . . . . . 6475 1 142 . 1 1 14 14 ALA CA C 13 54.249 0.1 . 1 . . . . . . . . 6475 1 143 . 1 1 14 14 ALA CB C 13 18.152 0.1 . 1 . . . . . . . . 6475 1 144 . 1 1 14 14 ALA N N 15 117.355 0.1 . 1 . . . . . . . . 6475 1 145 . 1 1 15 15 SER H H 1 7.730 0.02 . 1 . . . . . . . . 6475 1 146 . 1 1 15 15 SER HA H 1 4.746 0.02 . 1 . . . . . . . . 6475 1 147 . 1 1 15 15 SER HB2 H 1 4.227 0.02 . 2 . . . . . . . . 6475 1 148 . 1 1 15 15 SER HB3 H 1 4.290 0.02 . 2 . . . . . . . . 6475 1 149 . 1 1 15 15 SER C C 13 174.158 0.1 . 1 . . . . . . . . 6475 1 150 . 1 1 15 15 SER CA C 13 57.986 0.1 . 1 . . . . . . . . 6475 1 151 . 1 1 15 15 SER CB C 13 63.952 0.1 . 1 . . . . . . . . 6475 1 152 . 1 1 15 15 SER N N 15 110.508 0.1 . 1 . . . . . . . . 6475 1 153 . 1 1 16 16 ALA H H 1 7.225 0.02 . 1 . . . . . . . . 6475 1 154 . 1 1 16 16 ALA HA H 1 3.819 0.02 . 1 . . . . . . . . 6475 1 155 . 1 1 16 16 ALA HB1 H 1 -0.088 0.02 . 1 . . . . . . . . 6475 1 156 . 1 1 16 16 ALA HB2 H 1 -0.088 0.02 . 1 . . . . . . . . 6475 1 157 . 1 1 16 16 ALA HB3 H 1 -0.088 0.02 . 1 . . . . . . . . 6475 1 158 . 1 1 16 16 ALA C C 13 176.676 0.1 . 1 . . . . . . . . 6475 1 159 . 1 1 16 16 ALA CA C 13 51.483 0.1 . 1 . . . . . . . . 6475 1 160 . 1 1 16 16 ALA CB C 13 18.398 0.1 . 1 . . . . . . . . 6475 1 161 . 1 1 16 16 ALA N N 15 124.955 0.1 . 1 . . . . . . . . 6475 1 162 . 1 1 17 17 SER H H 1 8.740 0.02 . 1 . . . . . . . . 6475 1 163 . 1 1 17 17 SER HA H 1 4.389 0.02 . 1 . . . . . . . . 6475 1 164 . 1 1 17 17 SER HB2 H 1 3.706 0.02 . 1 . . . . . . . . 6475 1 165 . 1 1 17 17 SER HB3 H 1 3.706 0.02 . 1 . . . . . . . . 6475 1 166 . 1 1 17 17 SER C C 13 174.353 0.1 . 1 . . . . . . . . 6475 1 167 . 1 1 17 17 SER CA C 13 58.148 0.1 . 1 . . . . . . . . 6475 1 168 . 1 1 17 17 SER CB C 13 62.405 0.1 . 1 . . . . . . . . 6475 1 169 . 1 1 17 17 SER N N 15 115.445 0.1 . 1 . . . . . . . . 6475 1 170 . 1 1 18 18 ILE H H 1 8.802 0.02 . 1 . . . . . . . . 6475 1 171 . 1 1 18 18 ILE HA H 1 4.540 0.02 . 1 . . . . . . . . 6475 1 172 . 1 1 18 18 ILE HB H 1 1.801 0.02 . 1 . . . . . . . . 6475 1 173 . 1 1 18 18 ILE HG12 H 1 1.097 0.02 . 2 . . . . . . . . 6475 1 174 . 1 1 18 18 ILE HG13 H 1 1.232 0.02 . 2 . . . . . . . . 6475 1 175 . 1 1 18 18 ILE HG21 H 1 0.427 0.02 . 1 . . . . . . . . 6475 1 176 . 1 1 18 18 ILE HG22 H 1 0.427 0.02 . 1 . . . . . . . . 6475 1 177 . 1 1 18 18 ILE HG23 H 1 0.427 0.02 . 1 . . . . . . . . 6475 1 178 . 1 1 18 18 ILE HD11 H 1 0.493 0.02 . 1 . . . . . . . . 6475 1 179 . 1 1 18 18 ILE HD12 H 1 0.493 0.02 . 1 . . . . . . . . 6475 1 180 . 1 1 18 18 ILE HD13 H 1 0.493 0.02 . 1 . . . . . . . . 6475 1 181 . 1 1 18 18 ILE C C 13 176.111 0.1 . 1 . . . . . . . . 6475 1 182 . 1 1 18 18 ILE CA C 13 58.867 0.1 . 1 . . . . . . . . 6475 1 183 . 1 1 18 18 ILE CB C 13 37.300 0.1 . 1 . . . . . . . . 6475 1 184 . 1 1 18 18 ILE CG1 C 13 26.627 0.1 . 1 . . . . . . . . 6475 1 185 . 1 1 18 18 ILE CG2 C 13 16.917 0.1 . 1 . . . . . . . . 6475 1 186 . 1 1 18 18 ILE CD1 C 13 11.803 0.1 . 1 . . . . . . . . 6475 1 187 . 1 1 18 18 ILE N N 15 131.917 0.1 . 1 . . . . . . . . 6475 1 188 . 1 1 19 19 THR H H 1 8.836 0.02 . 1 . . . . . . . . 6475 1 189 . 1 1 19 19 THR HA H 1 4.365 0.02 . 1 . . . . . . . . 6475 1 190 . 1 1 19 19 THR HB H 1 3.915 0.02 . 1 . . . . . . . . 6475 1 191 . 1 1 19 19 THR HG21 H 1 1.267 0.02 . 1 . . . . . . . . 6475 1 192 . 1 1 19 19 THR HG22 H 1 1.267 0.02 . 1 . . . . . . . . 6475 1 193 . 1 1 19 19 THR HG23 H 1 1.267 0.02 . 1 . . . . . . . . 6475 1 194 . 1 1 19 19 THR C C 13 173.709 0.1 . 1 . . . . . . . . 6475 1 195 . 1 1 19 19 THR CA C 13 61.504 0.1 . 1 . . . . . . . . 6475 1 196 . 1 1 19 19 THR CB C 13 69.386 0.1 . 1 . . . . . . . . 6475 1 197 . 1 1 19 19 THR CG2 C 13 21.502 0.1 . 1 . . . . . . . . 6475 1 198 . 1 1 19 19 THR N N 15 125.998 0.1 . 1 . . . . . . . . 6475 1 199 . 1 1 20 20 ALA H H 1 8.803 0.02 . 1 . . . . . . . . 6475 1 200 . 1 1 20 20 ALA HA H 1 4.623 0.02 . 1 . . . . . . . . 6475 1 201 . 1 1 20 20 ALA HB1 H 1 1.280 0.02 . 1 . . . . . . . . 6475 1 202 . 1 1 20 20 ALA HB2 H 1 1.280 0.02 . 1 . . . . . . . . 6475 1 203 . 1 1 20 20 ALA HB3 H 1 1.280 0.02 . 1 . . . . . . . . 6475 1 204 . 1 1 20 20 ALA C C 13 175.554 0.1 . 1 . . . . . . . . 6475 1 205 . 1 1 20 20 ALA CA C 13 51.427 0.1 . 1 . . . . . . . . 6475 1 206 . 1 1 20 20 ALA CB C 13 17.099 0.1 . 1 . . . . . . . . 6475 1 207 . 1 1 20 20 ALA N N 15 132.962 0.1 . 1 . . . . . . . . 6475 1 208 . 1 1 21 21 PRO HA H 1 4.269 0.02 . 1 . . . . . . . . 6475 1 209 . 1 1 21 21 PRO HB2 H 1 2.073 0.02 . 2 . . . . . . . . 6475 1 210 . 1 1 21 21 PRO HB3 H 1 2.328 0.02 . 2 . . . . . . . . 6475 1 211 . 1 1 21 21 PRO HG2 H 1 1.462 0.02 . 2 . . . . . . . . 6475 1 212 . 1 1 21 21 PRO HG3 H 1 1.719 0.02 . 2 . . . . . . . . 6475 1 213 . 1 1 21 21 PRO HD2 H 1 3.308 0.02 . 2 . . . . . . . . 6475 1 214 . 1 1 21 21 PRO HD3 H 1 3.113 0.02 . 2 . . . . . . . . 6475 1 215 . 1 1 21 21 PRO C C 13 176.329 0.1 . 1 . . . . . . . . 6475 1 216 . 1 1 21 21 PRO CA C 13 63.380 0.1 . 1 . . . . . . . . 6475 1 217 . 1 1 21 21 PRO CB C 13 32.617 0.1 . 1 . . . . . . . . 6475 1 218 . 1 1 21 21 PRO CG C 13 24.193 0.1 . 1 . . . . . . . . 6475 1 219 . 1 1 21 21 PRO CD C 13 49.799 0.1 . 1 . . . . . . . . 6475 1 220 . 1 1 22 22 ALA H H 1 8.629 0.02 . 1 . . . . . . . . 6475 1 221 . 1 1 22 22 ALA HA H 1 4.732 0.02 . 1 . . . . . . . . 6475 1 222 . 1 1 22 22 ALA HB1 H 1 1.158 0.02 . 1 . . . . . . . . 6475 1 223 . 1 1 22 22 ALA HB2 H 1 1.158 0.02 . 1 . . . . . . . . 6475 1 224 . 1 1 22 22 ALA HB3 H 1 1.158 0.02 . 1 . . . . . . . . 6475 1 225 . 1 1 22 22 ALA C C 13 175.726 0.1 . 1 . . . . . . . . 6475 1 226 . 1 1 22 22 ALA CA C 13 52.980 0.1 . 1 . . . . . . . . 6475 1 227 . 1 1 22 22 ALA CB C 13 20.980 0.1 . 1 . . . . . . . . 6475 1 228 . 1 1 22 22 ALA N N 15 125.694 0.1 . 1 . . . . . . . . 6475 1 229 . 1 1 23 23 GLN H H 1 8.258 0.02 . 1 . . . . . . . . 6475 1 230 . 1 1 23 23 GLN HA H 1 4.475 0.02 . 1 . . . . . . . . 6475 1 231 . 1 1 23 23 GLN HB2 H 1 1.900 0.02 . 2 . . . . . . . . 6475 1 232 . 1 1 23 23 GLN HB3 H 1 1.692 0.02 . 2 . . . . . . . . 6475 1 233 . 1 1 23 23 GLN HG2 H 1 2.196 0.02 . 1 . . . . . . . . 6475 1 234 . 1 1 23 23 GLN HG3 H 1 2.196 0.02 . 1 . . . . . . . . 6475 1 235 . 1 1 23 23 GLN HE21 H 1 6.610 0.02 . 2 . . . . . . . . 6475 1 236 . 1 1 23 23 GLN HE22 H 1 7.361 0.02 . 2 . . . . . . . . 6475 1 237 . 1 1 23 23 GLN C C 13 173.668 0.1 . 1 . . . . . . . . 6475 1 238 . 1 1 23 23 GLN CA C 13 53.399 0.1 . 1 . . . . . . . . 6475 1 239 . 1 1 23 23 GLN CB C 13 32.110 0.1 . 1 . . . . . . . . 6475 1 240 . 1 1 23 23 GLN CG C 13 32.243 0.1 . 1 . . . . . . . . 6475 1 241 . 1 1 23 23 GLN N N 15 114.881 0.1 . 1 . . . . . . . . 6475 1 242 . 1 1 23 23 GLN NE2 N 15 111.557 0.1 . 1 . . . . . . . . 6475 1 243 . 1 1 24 24 LEU H H 1 8.659 0.02 . 1 . . . . . . . . 6475 1 244 . 1 1 24 24 LEU HA H 1 4.586 0.02 . 1 . . . . . . . . 6475 1 245 . 1 1 24 24 LEU HB2 H 1 1.097 0.02 . 2 . . . . . . . . 6475 1 246 . 1 1 24 24 LEU HB3 H 1 1.755 0.02 . 2 . . . . . . . . 6475 1 247 . 1 1 24 24 LEU HG H 1 0.798 0.02 . 1 . . . . . . . . 6475 1 248 . 1 1 24 24 LEU HD11 H 1 0.418 0.02 . 1 . . . . . . . . 6475 1 249 . 1 1 24 24 LEU HD12 H 1 0.418 0.02 . 1 . . . . . . . . 6475 1 250 . 1 1 24 24 LEU HD13 H 1 0.418 0.02 . 1 . . . . . . . . 6475 1 251 . 1 1 24 24 LEU HD21 H 1 0.418 0.02 . 1 . . . . . . . . 6475 1 252 . 1 1 24 24 LEU HD22 H 1 0.418 0.02 . 1 . . . . . . . . 6475 1 253 . 1 1 24 24 LEU HD23 H 1 0.418 0.02 . 1 . . . . . . . . 6475 1 254 . 1 1 24 24 LEU C C 13 175.878 0.1 . 1 . . . . . . . . 6475 1 255 . 1 1 24 24 LEU CA C 13 54.061 0.1 . 1 . . . . . . . . 6475 1 256 . 1 1 24 24 LEU CB C 13 42.224 0.1 . 1 . . . . . . . . 6475 1 257 . 1 1 24 24 LEU CG C 13 25.821 0.1 . 1 . . . . . . . . 6475 1 258 . 1 1 24 24 LEU CD1 C 13 22.352 0.1 . 1 . . . . . . . . 6475 1 259 . 1 1 24 24 LEU CD2 C 13 22.352 0.1 . 1 . . . . . . . . 6475 1 260 . 1 1 24 24 LEU N N 15 124.808 0.1 . 1 . . . . . . . . 6475 1 261 . 1 1 25 25 VAL H H 1 9.060 0.02 . 1 . . . . . . . . 6475 1 262 . 1 1 25 25 VAL HA H 1 4.074 0.02 . 1 . . . . . . . . 6475 1 263 . 1 1 25 25 VAL HB H 1 1.847 0.02 . 1 . . . . . . . . 6475 1 264 . 1 1 25 25 VAL HG11 H 1 0.683 0.02 . 1 . . . . . . . . 6475 1 265 . 1 1 25 25 VAL HG12 H 1 0.683 0.02 . 1 . . . . . . . . 6475 1 266 . 1 1 25 25 VAL HG13 H 1 0.683 0.02 . 1 . . . . . . . . 6475 1 267 . 1 1 25 25 VAL HG21 H 1 0.683 0.02 . 1 . . . . . . . . 6475 1 268 . 1 1 25 25 VAL HG22 H 1 0.683 0.02 . 1 . . . . . . . . 6475 1 269 . 1 1 25 25 VAL HG23 H 1 0.683 0.02 . 1 . . . . . . . . 6475 1 270 . 1 1 25 25 VAL C C 13 176.801 0.1 . 1 . . . . . . . . 6475 1 271 . 1 1 25 25 VAL CA C 13 61.581 0.1 . 1 . . . . . . . . 6475 1 272 . 1 1 25 25 VAL CB C 13 32.376 0.1 . 1 . . . . . . . . 6475 1 273 . 1 1 25 25 VAL CG1 C 13 20.148 0.1 . 1 . . . . . . . . 6475 1 274 . 1 1 25 25 VAL CG2 C 13 20.148 0.1 . 1 . . . . . . . . 6475 1 275 . 1 1 25 25 VAL N N 15 130.883 0.1 . 1 . . . . . . . . 6475 1 276 . 1 1 26 26 GLY H H 1 8.896 0.02 . 1 . . . . . . . . 6475 1 277 . 1 1 26 26 GLY HA2 H 1 3.502 0.02 . 2 . . . . . . . . 6475 1 278 . 1 1 26 26 GLY HA3 H 1 3.952 0.02 . 2 . . . . . . . . 6475 1 279 . 1 1 26 26 GLY C C 13 173.667 0.1 . 1 . . . . . . . . 6475 1 280 . 1 1 26 26 GLY CA C 13 47.109 0.1 . 1 . . . . . . . . 6475 1 281 . 1 1 26 26 GLY N N 15 118.518 0.1 . 1 . . . . . . . . 6475 1 282 . 1 1 27 27 ASN H H 1 8.551 0.02 . 1 . . . . . . . . 6475 1 283 . 1 1 27 27 ASN HA H 1 4.709 0.02 . 1 . . . . . . . . 6475 1 284 . 1 1 27 27 ASN HB2 H 1 2.989 0.02 . 2 . . . . . . . . 6475 1 285 . 1 1 27 27 ASN HB3 H 1 3.037 0.02 . 2 . . . . . . . . 6475 1 286 . 1 1 27 27 ASN HD21 H 1 6.909 0.02 . 2 . . . . . . . . 6475 1 287 . 1 1 27 27 ASN HD22 H 1 7.541 0.02 . 2 . . . . . . . . 6475 1 288 . 1 1 27 27 ASN C C 13 173.026 0.1 . 1 . . . . . . . . 6475 1 289 . 1 1 27 27 ASN CA C 13 52.479 0.1 . 1 . . . . . . . . 6475 1 290 . 1 1 27 27 ASN CB C 13 38.312 0.1 . 1 . . . . . . . . 6475 1 291 . 1 1 27 27 ASN N N 15 124.099 0.1 . 1 . . . . . . . . 6475 1 292 . 1 1 27 27 ASN ND2 N 15 112.275 0.1 . 1 . . . . . . . . 6475 1 293 . 1 1 28 28 VAL H H 1 7.786 0.02 . 1 . . . . . . . . 6475 1 294 . 1 1 28 28 VAL HA H 1 4.084 0.02 . 1 . . . . . . . . 6475 1 295 . 1 1 28 28 VAL HB H 1 1.973 0.02 . 1 . . . . . . . . 6475 1 296 . 1 1 28 28 VAL HG11 H 1 0.204 0.02 . 1 . . . . . . . . 6475 1 297 . 1 1 28 28 VAL HG12 H 1 0.204 0.02 . 1 . . . . . . . . 6475 1 298 . 1 1 28 28 VAL HG13 H 1 0.204 0.02 . 1 . . . . . . . . 6475 1 299 . 1 1 28 28 VAL HG21 H 1 0.730 0.02 . 1 . . . . . . . . 6475 1 300 . 1 1 28 28 VAL HG22 H 1 0.730 0.02 . 1 . . . . . . . . 6475 1 301 . 1 1 28 28 VAL HG23 H 1 0.730 0.02 . 1 . . . . . . . . 6475 1 302 . 1 1 28 28 VAL C C 13 174.011 0.1 . 1 . . . . . . . . 6475 1 303 . 1 1 28 28 VAL CA C 13 61.969 0.1 . 1 . . . . . . . . 6475 1 304 . 1 1 28 28 VAL CB C 13 34.451 0.1 . 1 . . . . . . . . 6475 1 305 . 1 1 28 28 VAL CG1 C 13 20.428 0.1 . 1 . . . . . . . . 6475 1 306 . 1 1 28 28 VAL CG2 C 13 21.762 0.1 . 1 . . . . . . . . 6475 1 307 . 1 1 28 28 VAL N N 15 119.472 0.1 . 1 . . . . . . . . 6475 1 308 . 1 1 29 29 GLY H H 1 8.649 0.02 . 1 . . . . . . . . 6475 1 309 . 1 1 29 29 GLY HA2 H 1 2.927 0.02 . 2 . . . . . . . . 6475 1 310 . 1 1 29 29 GLY HA3 H 1 4.335 0.02 . 2 . . . . . . . . 6475 1 311 . 1 1 29 29 GLY C C 13 170.708 0.1 . 1 . . . . . . . . 6475 1 312 . 1 1 29 29 GLY CA C 13 44.745 0.1 . 1 . . . . . . . . 6475 1 313 . 1 1 29 29 GLY N N 15 113.272 0.1 . 1 . . . . . . . . 6475 1 314 . 1 1 30 30 GLU H H 1 9.175 0.02 . 1 . . . . . . . . 6475 1 315 . 1 1 30 30 GLU HA H 1 4.742 0.02 . 1 . . . . . . . . 6475 1 316 . 1 1 30 30 GLU HB2 H 1 1.897 0.02 . 1 . . . . . . . . 6475 1 317 . 1 1 30 30 GLU HB3 H 1 1.897 0.02 . 1 . . . . . . . . 6475 1 318 . 1 1 30 30 GLU HG2 H 1 1.967 0.02 . 2 . . . . . . . . 6475 1 319 . 1 1 30 30 GLU HG3 H 1 2.096 0.02 . 2 . . . . . . . . 6475 1 320 . 1 1 30 30 GLU C C 13 176.607 0.1 . 1 . . . . . . . . 6475 1 321 . 1 1 30 30 GLU CA C 13 55.410 0.1 . 1 . . . . . . . . 6475 1 322 . 1 1 30 30 GLU CB C 13 29.798 0.1 . 1 . . . . . . . . 6475 1 323 . 1 1 30 30 GLU CG C 13 35.736 0.1 . 1 . . . . . . . . 6475 1 324 . 1 1 30 30 GLU N N 15 128.760 0.1 . 1 . . . . . . . . 6475 1 325 . 1 1 31 31 LEU H H 1 8.863 0.02 . 1 . . . . . . . . 6475 1 326 . 1 1 31 31 LEU HA H 1 3.867 0.02 . 1 . . . . . . . . 6475 1 327 . 1 1 31 31 LEU HB2 H 1 1.646 0.02 . 2 . . . . . . . . 6475 1 328 . 1 1 31 31 LEU HB3 H 1 1.093 0.02 . 2 . . . . . . . . 6475 1 329 . 1 1 31 31 LEU HG H 1 1.476 0.02 . 1 . . . . . . . . 6475 1 330 . 1 1 31 31 LEU HD11 H 1 0.486 0.02 . 1 . . . . . . . . 6475 1 331 . 1 1 31 31 LEU HD12 H 1 0.486 0.02 . 1 . . . . . . . . 6475 1 332 . 1 1 31 31 LEU HD13 H 1 0.486 0.02 . 1 . . . . . . . . 6475 1 333 . 1 1 31 31 LEU HD21 H 1 0.377 0.02 . 1 . . . . . . . . 6475 1 334 . 1 1 31 31 LEU HD22 H 1 0.377 0.02 . 1 . . . . . . . . 6475 1 335 . 1 1 31 31 LEU HD23 H 1 0.377 0.02 . 1 . . . . . . . . 6475 1 336 . 1 1 31 31 LEU C C 13 176.584 0.1 . 1 . . . . . . . . 6475 1 337 . 1 1 31 31 LEU CA C 13 55.467 0.1 . 1 . . . . . . . . 6475 1 338 . 1 1 31 31 LEU CB C 13 40.946 0.1 . 1 . . . . . . . . 6475 1 339 . 1 1 31 31 LEU CG C 13 26.455 0.1 . 1 . . . . . . . . 6475 1 340 . 1 1 31 31 LEU CD1 C 13 23.913 0.1 . 1 . . . . . . . . 6475 1 341 . 1 1 31 31 LEU CD2 C 13 25.544 0.1 . 1 . . . . . . . . 6475 1 342 . 1 1 31 31 LEU N N 15 123.115 0.1 . 1 . . . . . . . . 6475 1 343 . 1 1 32 32 GLN H H 1 7.015 0.02 . 1 . . . . . . . . 6475 1 344 . 1 1 32 32 GLN HA H 1 3.348 0.02 . 1 . . . . . . . . 6475 1 345 . 1 1 32 32 GLN HB2 H 1 1.275 0.02 . 2 . . . . . . . . 6475 1 346 . 1 1 32 32 GLN HB3 H 1 1.816 0.02 . 2 . . . . . . . . 6475 1 347 . 1 1 32 32 GLN HG2 H 1 1.897 0.02 . 2 . . . . . . . . 6475 1 348 . 1 1 32 32 GLN HG3 H 1 2.306 0.02 . 2 . . . . . . . . 6475 1 349 . 1 1 32 32 GLN HE21 H 1 6.678 0.02 . 2 . . . . . . . . 6475 1 350 . 1 1 32 32 GLN HE22 H 1 7.316 0.02 . 2 . . . . . . . . 6475 1 351 . 1 1 32 32 GLN C C 13 174.099 0.1 . 1 . . . . . . . . 6475 1 352 . 1 1 32 32 GLN CA C 13 54.236 0.1 . 1 . . . . . . . . 6475 1 353 . 1 1 32 32 GLN CB C 13 27.203 0.1 . 1 . . . . . . . . 6475 1 354 . 1 1 32 32 GLN CG C 13 33.668 0.1 . 1 . . . . . . . . 6475 1 355 . 1 1 32 32 GLN N N 15 123.285 0.1 . 1 . . . . . . . . 6475 1 356 . 1 1 32 32 GLN NE2 N 15 110.803 0.1 . 1 . . . . . . . . 6475 1 357 . 1 1 33 33 GLY H H 1 7.703 0.02 . 1 . . . . . . . . 6475 1 358 . 1 1 33 33 GLY HA2 H 1 3.747 0.02 . 2 . . . . . . . . 6475 1 359 . 1 1 33 33 GLY HA3 H 1 4.283 0.02 . 2 . . . . . . . . 6475 1 360 . 1 1 33 33 GLY C C 13 174.096 0.1 . 1 . . . . . . . . 6475 1 361 . 1 1 33 33 GLY CA C 13 43.453 0.1 . 1 . . . . . . . . 6475 1 362 . 1 1 33 33 GLY N N 15 107.035 0.1 . 1 . . . . . . . . 6475 1 363 . 1 1 34 34 ALA H H 1 8.527 0.02 . 1 . . . . . . . . 6475 1 364 . 1 1 34 34 ALA HA H 1 3.623 0.02 . 1 . . . . . . . . 6475 1 365 . 1 1 34 34 ALA HB1 H 1 1.254 0.02 . 1 . . . . . . . . 6475 1 366 . 1 1 34 34 ALA HB2 H 1 1.254 0.02 . 1 . . . . . . . . 6475 1 367 . 1 1 34 34 ALA HB3 H 1 1.254 0.02 . 1 . . . . . . . . 6475 1 368 . 1 1 34 34 ALA C C 13 177.188 0.1 . 1 . . . . . . . . 6475 1 369 . 1 1 34 34 ALA CA C 13 54.233 0.1 . 1 . . . . . . . . 6475 1 370 . 1 1 34 34 ALA CB C 13 18.403 0.1 . 1 . . . . . . . . 6475 1 371 . 1 1 34 34 ALA N N 15 123.924 0.1 . 1 . . . . . . . . 6475 1 372 . 1 1 35 35 GLY H H 1 8.721 0.02 . 1 . . . . . . . . 6475 1 373 . 1 1 35 35 GLY HA2 H 1 3.390 0.02 . 2 . . . . . . . . 6475 1 374 . 1 1 35 35 GLY HA3 H 1 4.505 0.02 . 2 . . . . . . . . 6475 1 375 . 1 1 35 35 GLY C C 13 174.203 0.1 . 1 . . . . . . . . 6475 1 376 . 1 1 35 35 GLY CA C 13 44.376 0.1 . 1 . . . . . . . . 6475 1 377 . 1 1 35 35 GLY N N 15 111.765 0.1 . 1 . . . . . . . . 6475 1 378 . 1 1 36 36 SER H H 1 7.842 0.02 . 1 . . . . . . . . 6475 1 379 . 1 1 36 36 SER HA H 1 4.142 0.02 . 1 . . . . . . . . 6475 1 380 . 1 1 36 36 SER HB2 H 1 3.536 0.02 . 2 . . . . . . . . 6475 1 381 . 1 1 36 36 SER HB3 H 1 3.666 0.02 . 2 . . . . . . . . 6475 1 382 . 1 1 36 36 SER HG H 1 6.128 0.02 . 1 . . . . . . . . 6475 1 383 . 1 1 36 36 SER C C 13 172.512 0.1 . 1 . . . . . . . . 6475 1 384 . 1 1 36 36 SER CA C 13 59.700 0.1 . 1 . . . . . . . . 6475 1 385 . 1 1 36 36 SER CB C 13 64.479 0.1 . 1 . . . . . . . . 6475 1 386 . 1 1 36 36 SER N N 15 114.954 0.1 . 1 . . . . . . . . 6475 1 387 . 1 1 37 37 ALA H H 1 7.488 0.02 . 1 . . . . . . . . 6475 1 388 . 1 1 37 37 ALA HA H 1 4.694 0.02 . 1 . . . . . . . . 6475 1 389 . 1 1 37 37 ALA HB1 H 1 1.255 0.02 . 1 . . . . . . . . 6475 1 390 . 1 1 37 37 ALA HB2 H 1 1.255 0.02 . 1 . . . . . . . . 6475 1 391 . 1 1 37 37 ALA HB3 H 1 1.255 0.02 . 1 . . . . . . . . 6475 1 392 . 1 1 37 37 ALA C C 13 174.849 0.1 . 1 . . . . . . . . 6475 1 393 . 1 1 37 37 ALA CA C 13 53.064 0.1 . 1 . . . . . . . . 6475 1 394 . 1 1 37 37 ALA CB C 13 22.271 0.1 . 1 . . . . . . . . 6475 1 395 . 1 1 37 37 ALA N N 15 121.724 0.1 . 1 . . . . . . . . 6475 1 396 . 1 1 38 38 VAL H H 1 8.148 0.02 . 1 . . . . . . . . 6475 1 397 . 1 1 38 38 VAL HA H 1 4.001 0.02 . 1 . . . . . . . . 6475 1 398 . 1 1 38 38 VAL HB H 1 1.589 0.02 . 1 . . . . . . . . 6475 1 399 . 1 1 38 38 VAL HG11 H 1 -0.089 0.02 . 1 . . . . . . . . 6475 1 400 . 1 1 38 38 VAL HG12 H 1 -0.089 0.02 . 1 . . . . . . . . 6475 1 401 . 1 1 38 38 VAL HG13 H 1 -0.089 0.02 . 1 . . . . . . . . 6475 1 402 . 1 1 38 38 VAL HG21 H 1 0.513 0.02 . 1 . . . . . . . . 6475 1 403 . 1 1 38 38 VAL HG22 H 1 0.513 0.02 . 1 . . . . . . . . 6475 1 404 . 1 1 38 38 VAL HG23 H 1 0.513 0.02 . 1 . . . . . . . . 6475 1 405 . 1 1 38 38 VAL C C 13 173.067 0.1 . 1 . . . . . . . . 6475 1 406 . 1 1 38 38 VAL CA C 13 61.974 0.1 . 1 . . . . . . . . 6475 1 407 . 1 1 38 38 VAL CB C 13 33.685 0.1 . 1 . . . . . . . . 6475 1 408 . 1 1 38 38 VAL CG1 C 13 19.834 0.1 . 1 . . . . . . . . 6475 1 409 . 1 1 38 38 VAL CG2 C 13 19.834 0.1 . 1 . . . . . . . . 6475 1 410 . 1 1 38 38 VAL N N 15 122.335 0.1 . 1 . . . . . . . . 6475 1 411 . 1 1 39 39 ILE H H 1 7.959 0.02 . 1 . . . . . . . . 6475 1 412 . 1 1 39 39 ILE HA H 1 4.683 0.02 . 1 . . . . . . . . 6475 1 413 . 1 1 39 39 ILE HB H 1 1.641 0.02 . 1 . . . . . . . . 6475 1 414 . 1 1 39 39 ILE HG12 H 1 0.985 0.02 . 2 . . . . . . . . 6475 1 415 . 1 1 39 39 ILE HG13 H 1 1.228 0.02 . 2 . . . . . . . . 6475 1 416 . 1 1 39 39 ILE HG21 H 1 0.561 0.02 . 1 . . . . . . . . 6475 1 417 . 1 1 39 39 ILE HG22 H 1 0.561 0.02 . 1 . . . . . . . . 6475 1 418 . 1 1 39 39 ILE HG23 H 1 0.561 0.02 . 1 . . . . . . . . 6475 1 419 . 1 1 39 39 ILE HD11 H 1 0.447 0.02 . 1 . . . . . . . . 6475 1 420 . 1 1 39 39 ILE HD12 H 1 0.447 0.02 . 1 . . . . . . . . 6475 1 421 . 1 1 39 39 ILE HD13 H 1 0.447 0.02 . 1 . . . . . . . . 6475 1 422 . 1 1 39 39 ILE C C 13 175.127 0.1 . 1 . . . . . . . . 6475 1 423 . 1 1 39 39 ILE CA C 13 57.521 0.1 . 1 . . . . . . . . 6475 1 424 . 1 1 39 39 ILE CB C 13 40.414 0.1 . 1 . . . . . . . . 6475 1 425 . 1 1 39 39 ILE CG1 C 13 25.676 0.1 . 1 . . . . . . . . 6475 1 426 . 1 1 39 39 ILE CG2 C 13 16.516 0.1 . 1 . . . . . . . . 6475 1 427 . 1 1 39 39 ILE CD1 C 13 9.922 0.1 . 1 . . . . . . . . 6475 1 428 . 1 1 39 39 ILE N N 15 124.396 0.1 . 1 . . . . . . . . 6475 1 429 . 1 1 40 40 TRP H H 1 9.916 0.02 . 1 . . . . . . . . 6475 1 430 . 1 1 40 40 TRP HA H 1 4.625 0.02 . 1 . . . . . . . . 6475 1 431 . 1 1 40 40 TRP HB2 H 1 2.781 0.02 . 2 . . . . . . . . 6475 1 432 . 1 1 40 40 TRP HB3 H 1 3.076 0.02 . 2 . . . . . . . . 6475 1 433 . 1 1 40 40 TRP HD1 H 1 6.723 0.02 . 1 . . . . . . . . 6475 1 434 . 1 1 40 40 TRP HE1 H 1 9.420 0.02 . 1 . . . . . . . . 6475 1 435 . 1 1 40 40 TRP HE3 H 1 7.840 0.02 . 1 . . . . . . . . 6475 1 436 . 1 1 40 40 TRP HZ2 H 1 6.600 0.02 . 1 . . . . . . . . 6475 1 437 . 1 1 40 40 TRP HZ3 H 1 6.598 0.02 . 1 . . . . . . . . 6475 1 438 . 1 1 40 40 TRP HH2 H 1 6.651 0.02 . 1 . . . . . . . . 6475 1 439 . 1 1 40 40 TRP C C 13 174.484 0.1 . 1 . . . . . . . . 6475 1 440 . 1 1 40 40 TRP CA C 13 59.273 0.1 . 1 . . . . . . . . 6475 1 441 . 1 1 40 40 TRP CB C 13 31.073 0.1 . 1 . . . . . . . . 6475 1 442 . 1 1 40 40 TRP CD1 C 13 125.352 0.1 . 1 . . . . . . . . 6475 1 443 . 1 1 40 40 TRP CE3 C 13 121.670 0.1 . 1 . . . . . . . . 6475 1 444 . 1 1 40 40 TRP CZ2 C 13 111.870 0.1 . 1 . . . . . . . . 6475 1 445 . 1 1 40 40 TRP CZ3 C 13 120.306 0.1 . 1 . . . . . . . . 6475 1 446 . 1 1 40 40 TRP CH2 C 13 123.363 0.1 . 1 . . . . . . . . 6475 1 447 . 1 1 40 40 TRP N N 15 128.085 0.1 . 1 . . . . . . . . 6475 1 448 . 1 1 40 40 TRP NE1 N 15 130.259 0.1 . 1 . . . . . . . . 6475 1 449 . 1 1 41 41 ASN H H 1 8.408 0.02 . 1 . . . . . . . . 6475 1 450 . 1 1 41 41 ASN HA H 1 5.124 0.02 . 1 . . . . . . . . 6475 1 451 . 1 1 41 41 ASN HB2 H 1 2.547 0.02 . 2 . . . . . . . . 6475 1 452 . 1 1 41 41 ASN HB3 H 1 2.623 0.02 . 2 . . . . . . . . 6475 1 453 . 1 1 41 41 ASN HD21 H 1 6.585 0.02 . 2 . . . . . . . . 6475 1 454 . 1 1 41 41 ASN HD22 H 1 7.399 0.02 . 2 . . . . . . . . 6475 1 455 . 1 1 41 41 ASN C C 13 174.764 0.1 . 1 . . . . . . . . 6475 1 456 . 1 1 41 41 ASN CA C 13 52.657 0.1 . 1 . . . . . . . . 6475 1 457 . 1 1 41 41 ASN CB C 13 39.073 0.1 . 1 . . . . . . . . 6475 1 458 . 1 1 41 41 ASN N N 15 123.617 0.1 . 1 . . . . . . . . 6475 1 459 . 1 1 41 41 ASN ND2 N 15 113.843 0.1 . 1 . . . . . . . . 6475 1 460 . 1 1 42 42 VAL H H 1 8.681 0.02 . 1 . . . . . . . . 6475 1 461 . 1 1 42 42 VAL HA H 1 4.324 0.02 . 1 . . . . . . . . 6475 1 462 . 1 1 42 42 VAL HB H 1 1.745 0.02 . 1 . . . . . . . . 6475 1 463 . 1 1 42 42 VAL HG11 H 1 0.547 0.02 . 1 . . . . . . . . 6475 1 464 . 1 1 42 42 VAL HG12 H 1 0.547 0.02 . 1 . . . . . . . . 6475 1 465 . 1 1 42 42 VAL HG13 H 1 0.547 0.02 . 1 . . . . . . . . 6475 1 466 . 1 1 42 42 VAL HG21 H 1 0.218 0.02 . 1 . . . . . . . . 6475 1 467 . 1 1 42 42 VAL HG22 H 1 0.218 0.02 . 1 . . . . . . . . 6475 1 468 . 1 1 42 42 VAL HG23 H 1 0.218 0.02 . 1 . . . . . . . . 6475 1 469 . 1 1 42 42 VAL C C 13 173.923 0.1 . 1 . . . . . . . . 6475 1 470 . 1 1 42 42 VAL CA C 13 59.100 0.1 . 1 . . . . . . . . 6475 1 471 . 1 1 42 42 VAL CB C 13 34.708 0.1 . 1 . . . . . . . . 6475 1 472 . 1 1 42 42 VAL CG1 C 13 18.801 0.1 . 1 . . . . . . . . 6475 1 473 . 1 1 42 42 VAL CG2 C 13 21.205 0.1 . 1 . . . . . . . . 6475 1 474 . 1 1 42 42 VAL N N 15 118.154 0.1 . 1 . . . . . . . . 6475 1 475 . 1 1 43 43 ASP H H 1 8.289 0.02 . 1 . . . . . . . . 6475 1 476 . 1 1 43 43 ASP HA H 1 4.838 0.02 . 1 . . . . . . . . 6475 1 477 . 1 1 43 43 ASP HB2 H 1 2.266 0.02 . 1 . . . . . . . . 6475 1 478 . 1 1 43 43 ASP HB3 H 1 2.266 0.02 . 1 . . . . . . . . 6475 1 479 . 1 1 43 43 ASP C C 13 175.901 0.1 . 1 . . . . . . . . 6475 1 480 . 1 1 43 43 ASP CA C 13 53.123 0.1 . 1 . . . . . . . . 6475 1 481 . 1 1 43 43 ASP CB C 13 41.476 0.1 . 1 . . . . . . . . 6475 1 482 . 1 1 43 43 ASP N N 15 122.805 0.1 . 1 . . . . . . . . 6475 1 483 . 1 1 44 44 VAL H H 1 8.544 0.02 . 1 . . . . . . . . 6475 1 484 . 1 1 44 44 VAL HA H 1 4.044 0.02 . 1 . . . . . . . . 6475 1 485 . 1 1 44 44 VAL HB H 1 2.212 0.02 . 1 . . . . . . . . 6475 1 486 . 1 1 44 44 VAL HG11 H 1 0.523 0.02 . 1 . . . . . . . . 6475 1 487 . 1 1 44 44 VAL HG12 H 1 0.523 0.02 . 1 . . . . . . . . 6475 1 488 . 1 1 44 44 VAL HG13 H 1 0.523 0.02 . 1 . . . . . . . . 6475 1 489 . 1 1 44 44 VAL HG21 H 1 0.184 0.02 . 1 . . . . . . . . 6475 1 490 . 1 1 44 44 VAL HG22 H 1 0.184 0.02 . 1 . . . . . . . . 6475 1 491 . 1 1 44 44 VAL HG23 H 1 0.184 0.02 . 1 . . . . . . . . 6475 1 492 . 1 1 44 44 VAL C C 13 176.842 0.1 . 1 . . . . . . . . 6475 1 493 . 1 1 44 44 VAL CA C 13 57.986 0.1 . 1 . . . . . . . . 6475 1 494 . 1 1 44 44 VAL CB C 13 30.574 0.1 . 1 . . . . . . . . 6475 1 495 . 1 1 44 44 VAL CG1 C 13 19.976 0.1 . 1 . . . . . . . . 6475 1 496 . 1 1 44 44 VAL CG2 C 13 21.180 0.1 . 1 . . . . . . . . 6475 1 497 . 1 1 44 44 VAL N N 15 120.220 0.1 . 1 . . . . . . . . 6475 1 498 . 1 1 45 45 PRO HA H 1 4.306 0.02 . 1 . . . . . . . . 6475 1 499 . 1 1 45 45 PRO HB2 H 1 1.965 0.02 . 2 . . . . . . . . 6475 1 500 . 1 1 45 45 PRO HB3 H 1 2.170 0.02 . 2 . . . . . . . . 6475 1 501 . 1 1 45 45 PRO HG2 H 1 1.963 0.02 . 2 . . . . . . . . 6475 1 502 . 1 1 45 45 PRO HG3 H 1 2.144 0.02 . 2 . . . . . . . . 6475 1 503 . 1 1 45 45 PRO HD2 H 1 3.183 0.02 . 2 . . . . . . . . 6475 1 504 . 1 1 45 45 PRO HD3 H 1 3.399 0.02 . 2 . . . . . . . . 6475 1 505 . 1 1 45 45 PRO C C 13 176.204 0.1 . 1 . . . . . . . . 6475 1 506 . 1 1 45 45 PRO CA C 13 65.016 0.1 . 1 . . . . . . . . 6475 1 507 . 1 1 45 45 PRO CB C 13 32.108 0.1 . 1 . . . . . . . . 6475 1 508 . 1 1 45 45 PRO CG C 13 26.906 0.1 . 1 . . . . . . . . 6475 1 509 . 1 1 45 45 PRO CD C 13 50.061 0.1 . 1 . . . . . . . . 6475 1 510 . 1 1 46 46 VAL H H 1 6.476 0.02 . 1 . . . . . . . . 6475 1 511 . 1 1 46 46 VAL HA H 1 4.597 0.02 . 1 . . . . . . . . 6475 1 512 . 1 1 46 46 VAL HB H 1 2.036 0.02 . 1 . . . . . . . . 6475 1 513 . 1 1 46 46 VAL HG11 H 1 0.841 0.02 . 1 . . . . . . . . 6475 1 514 . 1 1 46 46 VAL HG12 H 1 0.841 0.02 . 1 . . . . . . . . 6475 1 515 . 1 1 46 46 VAL HG13 H 1 0.841 0.02 . 1 . . . . . . . . 6475 1 516 . 1 1 46 46 VAL HG21 H 1 0.857 0.02 . 1 . . . . . . . . 6475 1 517 . 1 1 46 46 VAL HG22 H 1 0.857 0.02 . 1 . . . . . . . . 6475 1 518 . 1 1 46 46 VAL HG23 H 1 0.857 0.02 . 1 . . . . . . . . 6475 1 519 . 1 1 46 46 VAL C C 13 174.719 0.1 . 1 . . . . . . . . 6475 1 520 . 1 1 46 46 VAL CA C 13 58.922 0.1 . 1 . . . . . . . . 6475 1 521 . 1 1 46 46 VAL CB C 13 36.502 0.1 . 1 . . . . . . . . 6475 1 522 . 1 1 46 46 VAL CG1 C 13 19.887 0.1 . 1 . . . . . . . . 6475 1 523 . 1 1 46 46 VAL CG2 C 13 20.945 0.1 . 1 . . . . . . . . 6475 1 524 . 1 1 46 46 VAL N N 15 110.690 0.1 . 1 . . . . . . . . 6475 1 525 . 1 1 47 47 THR H H 1 9.046 0.02 . 1 . . . . . . . . 6475 1 526 . 1 1 47 47 THR HA H 1 5.171 0.02 . 1 . . . . . . . . 6475 1 527 . 1 1 47 47 THR HB H 1 4.095 0.02 . 1 . . . . . . . . 6475 1 528 . 1 1 47 47 THR HG21 H 1 1.127 0.02 . 1 . . . . . . . . 6475 1 529 . 1 1 47 47 THR HG22 H 1 1.127 0.02 . 1 . . . . . . . . 6475 1 530 . 1 1 47 47 THR HG23 H 1 1.127 0.02 . 1 . . . . . . . . 6475 1 531 . 1 1 47 47 THR C C 13 174.578 0.1 . 1 . . . . . . . . 6475 1 532 . 1 1 47 47 THR CA C 13 61.871 0.1 . 1 . . . . . . . . 6475 1 533 . 1 1 47 47 THR CB C 13 68.623 0.1 . 1 . . . . . . . . 6475 1 534 . 1 1 47 47 THR CG2 C 13 21.369 0.1 . 1 . . . . . . . . 6475 1 535 . 1 1 47 47 THR N N 15 125.918 0.1 . 1 . . . . . . . . 6475 1 536 . 1 1 48 48 GLY H H 1 8.655 0.02 . 1 . . . . . . . . 6475 1 537 . 1 1 48 48 GLY HA2 H 1 3.769 0.02 . 2 . . . . . . . . 6475 1 538 . 1 1 48 48 GLY HA3 H 1 4.075 0.02 . 2 . . . . . . . . 6475 1 539 . 1 1 48 48 GLY C C 13 180.787 0.1 . 1 . . . . . . . . 6475 1 540 . 1 1 48 48 GLY CA C 13 45.212 0.1 . 1 . . . . . . . . 6475 1 541 . 1 1 48 48 GLY N N 15 115.128 0.1 . 1 . . . . . . . . 6475 1 542 . 1 1 49 49 GLU H H 1 8.515 0.02 . 1 . . . . . . . . 6475 1 543 . 1 1 49 49 GLU HA H 1 4.509 0.02 . 1 . . . . . . . . 6475 1 544 . 1 1 49 49 GLU HB2 H 1 1.751 0.02 . 2 . . . . . . . . 6475 1 545 . 1 1 49 49 GLU HB3 H 1 1.695 0.02 . 2 . . . . . . . . 6475 1 546 . 1 1 49 49 GLU HG2 H 1 1.947 0.02 . 1 . . . . . . . . 6475 1 547 . 1 1 49 49 GLU HG3 H 1 1.947 0.02 . 1 . . . . . . . . 6475 1 548 . 1 1 49 49 GLU C C 13 174.420 0.1 . 1 . . . . . . . . 6475 1 549 . 1 1 49 49 GLU CA C 13 55.908 0.1 . 1 . . . . . . . . 6475 1 550 . 1 1 49 49 GLU CB C 13 30.510 0.1 . 1 . . . . . . . . 6475 1 551 . 1 1 49 49 GLU CG C 13 36.591 0.1 . 1 . . . . . . . . 6475 1 552 . 1 1 49 49 GLU N N 15 121.418 0.1 . 1 . . . . . . . . 6475 1 553 . 1 1 50 50 TYR H H 1 8.833 0.02 . 1 . . . . . . . . 6475 1 554 . 1 1 50 50 TYR HA H 1 5.482 0.02 . 1 . . . . . . . . 6475 1 555 . 1 1 50 50 TYR HB2 H 1 2.438 0.02 . 2 . . . . . . . . 6475 1 556 . 1 1 50 50 TYR HB3 H 1 2.609 0.02 . 2 . . . . . . . . 6475 1 557 . 1 1 50 50 TYR HE1 H 1 6.699 0.02 . 1 . . . . . . . . 6475 1 558 . 1 1 50 50 TYR HH H 1 9.143 0.02 . 1 . . . . . . . . 6475 1 559 . 1 1 50 50 TYR C C 13 174.925 0.1 . 1 . . . . . . . . 6475 1 560 . 1 1 50 50 TYR CA C 13 55.733 0.1 . 1 . . . . . . . . 6475 1 561 . 1 1 50 50 TYR CB C 13 41.669 0.1 . 1 . . . . . . . . 6475 1 562 . 1 1 50 50 TYR CE1 C 13 117.960 0.1 . 1 . . . . . . . . 6475 1 563 . 1 1 50 50 TYR CE2 C 13 117.960 0.1 . 1 . . . . . . . . 6475 1 564 . 1 1 50 50 TYR N N 15 122.644 0.1 . 1 . . . . . . . . 6475 1 565 . 1 1 51 51 ARG H H 1 9.303 0.02 . 1 . . . . . . . . 6475 1 566 . 1 1 51 51 ARG HA H 1 4.733 0.02 . 1 . . . . . . . . 6475 1 567 . 1 1 51 51 ARG HB2 H 1 1.501 0.02 . 2 . . . . . . . . 6475 1 568 . 1 1 51 51 ARG HB3 H 1 1.894 0.02 . 2 . . . . . . . . 6475 1 569 . 1 1 51 51 ARG HG2 H 1 1.271 0.02 . 2 . . . . . . . . 6475 1 570 . 1 1 51 51 ARG HG3 H 1 1.390 0.02 . 2 . . . . . . . . 6475 1 571 . 1 1 51 51 ARG HD2 H 1 3.033 0.02 . 2 . . . . . . . . 6475 1 572 . 1 1 51 51 ARG HD3 H 1 3.154 0.02 . 2 . . . . . . . . 6475 1 573 . 1 1 51 51 ARG C C 13 174.765 0.1 . 1 . . . . . . . . 6475 1 574 . 1 1 51 51 ARG CA C 13 55.760 0.1 . 1 . . . . . . . . 6475 1 575 . 1 1 51 51 ARG CB C 13 32.358 0.1 . 1 . . . . . . . . 6475 1 576 . 1 1 51 51 ARG CG C 13 27.693 0.1 . 1 . . . . . . . . 6475 1 577 . 1 1 51 51 ARG CD C 13 43.057 0.1 . 1 . . . . . . . . 6475 1 578 . 1 1 51 51 ARG N N 15 121.315 0.1 . 1 . . . . . . . . 6475 1 579 . 1 1 52 52 ILE H H 1 9.410 0.02 . 1 . . . . . . . . 6475 1 580 . 1 1 52 52 ILE HA H 1 4.147 0.02 . 1 . . . . . . . . 6475 1 581 . 1 1 52 52 ILE HB H 1 1.730 0.02 . 1 . . . . . . . . 6475 1 582 . 1 1 52 52 ILE HG12 H 1 1.255 0.02 . 2 . . . . . . . . 6475 1 583 . 1 1 52 52 ILE HG13 H 1 0.642 0.02 . 2 . . . . . . . . 6475 1 584 . 1 1 52 52 ILE HG21 H 1 0.413 0.02 . 1 . . . . . . . . 6475 1 585 . 1 1 52 52 ILE HG22 H 1 0.413 0.02 . 1 . . . . . . . . 6475 1 586 . 1 1 52 52 ILE HG23 H 1 0.413 0.02 . 1 . . . . . . . . 6475 1 587 . 1 1 52 52 ILE HD11 H 1 0.792 0.02 . 1 . . . . . . . . 6475 1 588 . 1 1 52 52 ILE HD12 H 1 0.792 0.02 . 1 . . . . . . . . 6475 1 589 . 1 1 52 52 ILE HD13 H 1 0.792 0.02 . 1 . . . . . . . . 6475 1 590 . 1 1 52 52 ILE C C 13 173.717 0.1 . 1 . . . . . . . . 6475 1 591 . 1 1 52 52 ILE CA C 13 61.151 0.1 . 1 . . . . . . . . 6475 1 592 . 1 1 52 52 ILE CB C 13 39.621 0.1 . 1 . . . . . . . . 6475 1 593 . 1 1 52 52 ILE CG1 C 13 27.713 0.1 . 1 . . . . . . . . 6475 1 594 . 1 1 52 52 ILE CG2 C 13 18.798 0.1 . 1 . . . . . . . . 6475 1 595 . 1 1 52 52 ILE CD1 C 13 15.846 0.1 . 1 . . . . . . . . 6475 1 596 . 1 1 52 52 ILE N N 15 128.901 0.1 . 1 . . . . . . . . 6475 1 597 . 1 1 53 53 ASN H H 1 8.508 0.02 . 1 . . . . . . . . 6475 1 598 . 1 1 53 53 ASN HA H 1 5.615 0.02 . 1 . . . . . . . . 6475 1 599 . 1 1 53 53 ASN HB2 H 1 2.079 0.02 . 2 . . . . . . . . 6475 1 600 . 1 1 53 53 ASN HB3 H 1 2.966 0.02 . 2 . . . . . . . . 6475 1 601 . 1 1 53 53 ASN HD21 H 1 7.030 0.02 . 2 . . . . . . . . 6475 1 602 . 1 1 53 53 ASN HD22 H 1 6.500 0.02 . 2 . . . . . . . . 6475 1 603 . 1 1 53 53 ASN C C 13 174.248 0.1 . 1 . . . . . . . . 6475 1 604 . 1 1 53 53 ASN CA C 13 51.075 0.1 . 1 . . . . . . . . 6475 1 605 . 1 1 53 53 ASN CB C 13 41.688 0.1 . 1 . . . . . . . . 6475 1 606 . 1 1 53 53 ASN N N 15 122.402 0.1 . 1 . . . . . . . . 6475 1 607 . 1 1 53 53 ASN ND2 N 15 112.175 0.1 . 1 . . . . . . . . 6475 1 608 . 1 1 54 54 LEU H H 1 9.983 0.02 . 1 . . . . . . . . 6475 1 609 . 1 1 54 54 LEU HA H 1 5.240 0.02 . 1 . . . . . . . . 6475 1 610 . 1 1 54 54 LEU HB2 H 1 1.316 0.02 . 2 . . . . . . . . 6475 1 611 . 1 1 54 54 LEU HB3 H 1 2.099 0.02 . 2 . . . . . . . . 6475 1 612 . 1 1 54 54 LEU HG H 1 1.810 0.02 . 1 . . . . . . . . 6475 1 613 . 1 1 54 54 LEU HD11 H 1 0.951 0.02 . 1 . . . . . . . . 6475 1 614 . 1 1 54 54 LEU HD12 H 1 0.951 0.02 . 1 . . . . . . . . 6475 1 615 . 1 1 54 54 LEU HD13 H 1 0.951 0.02 . 1 . . . . . . . . 6475 1 616 . 1 1 54 54 LEU HD21 H 1 1.052 0.02 . 1 . . . . . . . . 6475 1 617 . 1 1 54 54 LEU HD22 H 1 1.052 0.02 . 1 . . . . . . . . 6475 1 618 . 1 1 54 54 LEU HD23 H 1 1.052 0.02 . 1 . . . . . . . . 6475 1 619 . 1 1 54 54 LEU C C 13 174.957 0.1 . 1 . . . . . . . . 6475 1 620 . 1 1 54 54 LEU CA C 13 54.532 0.1 . 1 . . . . . . . . 6475 1 621 . 1 1 54 54 LEU CB C 13 45.196 0.1 . 1 . . . . . . . . 6475 1 622 . 1 1 54 54 LEU CG C 13 28.268 0.1 . 1 . . . . . . . . 6475 1 623 . 1 1 54 54 LEU CD1 C 13 25.269 0.1 . 1 . . . . . . . . 6475 1 624 . 1 1 54 54 LEU CD2 C 13 26.140 0.1 . 1 . . . . . . . . 6475 1 625 . 1 1 54 54 LEU N N 15 130.669 0.1 . 1 . . . . . . . . 6475 1 626 . 1 1 55 55 THR H H 1 9.416 0.02 . 1 . . . . . . . . 6475 1 627 . 1 1 55 55 THR HA H 1 5.356 0.02 . 1 . . . . . . . . 6475 1 628 . 1 1 55 55 THR HB H 1 4.106 0.02 . 1 . . . . . . . . 6475 1 629 . 1 1 55 55 THR HG21 H 1 0.793 0.02 . 1 . . . . . . . . 6475 1 630 . 1 1 55 55 THR HG22 H 1 0.793 0.02 . 1 . . . . . . . . 6475 1 631 . 1 1 55 55 THR HG23 H 1 0.793 0.02 . 1 . . . . . . . . 6475 1 632 . 1 1 55 55 THR C C 13 172.745 0.1 . 1 . . . . . . . . 6475 1 633 . 1 1 55 55 THR CA C 13 63.085 0.1 . 1 . . . . . . . . 6475 1 634 . 1 1 55 55 THR CB C 13 68.356 0.1 . 1 . . . . . . . . 6475 1 635 . 1 1 55 55 THR CG2 C 13 21.883 0.1 . 1 . . . . . . . . 6475 1 636 . 1 1 55 55 THR N N 15 127.224 0.1 . 1 . . . . . . . . 6475 1 637 . 1 1 56 56 TRP H H 1 9.430 0.02 . 1 . . . . . . . . 6475 1 638 . 1 1 56 56 TRP HA H 1 5.519 0.02 . 1 . . . . . . . . 6475 1 639 . 1 1 56 56 TRP HB2 H 1 2.843 0.02 . 2 . . . . . . . . 6475 1 640 . 1 1 56 56 TRP HB3 H 1 3.582 0.02 . 2 . . . . . . . . 6475 1 641 . 1 1 56 56 TRP HD1 H 1 7.355 0.02 . 1 . . . . . . . . 6475 1 642 . 1 1 56 56 TRP HE1 H 1 9.917 0.02 . 1 . . . . . . . . 6475 1 643 . 1 1 56 56 TRP HE3 H 1 6.956 0.02 . 1 . . . . . . . . 6475 1 644 . 1 1 56 56 TRP HZ2 H 1 7.856 0.02 . 1 . . . . . . . . 6475 1 645 . 1 1 56 56 TRP HZ3 H 1 7.651 0.02 . 1 . . . . . . . . 6475 1 646 . 1 1 56 56 TRP HH2 H 1 7.517 0.02 . 1 . . . . . . . . 6475 1 647 . 1 1 56 56 TRP C C 13 172.466 0.1 . 1 . . . . . . . . 6475 1 648 . 1 1 56 56 TRP CA C 13 54.648 0.1 . 1 . . . . . . . . 6475 1 649 . 1 1 56 56 TRP CB C 13 33.284 0.1 . 1 . . . . . . . . 6475 1 650 . 1 1 56 56 TRP CD1 C 13 127.487 0.1 . 1 . . . . . . . . 6475 1 651 . 1 1 56 56 TRP CE3 C 13 119.061 0.1 . 1 . . . . . . . . 6475 1 652 . 1 1 56 56 TRP CZ2 C 13 115.599 0.1 . 1 . . . . . . . . 6475 1 653 . 1 1 56 56 TRP CZ3 C 13 123.832 0.1 . 1 . . . . . . . . 6475 1 654 . 1 1 56 56 TRP CH2 C 13 125.660 0.1 . 1 . . . . . . . . 6475 1 655 . 1 1 56 56 TRP N N 15 129.220 0.1 . 1 . . . . . . . . 6475 1 656 . 1 1 56 56 TRP NE1 N 15 128.091 0.1 . 1 . . . . . . . . 6475 1 657 . 1 1 57 57 SER H H 1 9.423 0.02 . 1 . . . . . . . . 6475 1 658 . 1 1 57 57 SER HA H 1 4.222 0.02 . 1 . . . . . . . . 6475 1 659 . 1 1 57 57 SER HB2 H 1 3.436 0.02 . 2 . . . . . . . . 6475 1 660 . 1 1 57 57 SER HB3 H 1 3.777 0.02 . 2 . . . . . . . . 6475 1 661 . 1 1 57 57 SER C C 13 173.581 0.1 . 1 . . . . . . . . 6475 1 662 . 1 1 57 57 SER CA C 13 60.391 0.1 . 1 . . . . . . . . 6475 1 663 . 1 1 57 57 SER CB C 13 63.825 0.1 . 1 . . . . . . . . 6475 1 664 . 1 1 57 57 SER N N 15 110.335 0.1 . 1 . . . . . . . . 6475 1 665 . 1 1 58 58 SER H H 1 9.058 0.02 . 1 . . . . . . . . 6475 1 666 . 1 1 58 58 SER HA H 1 5.111 0.02 . 1 . . . . . . . . 6475 1 667 . 1 1 58 58 SER HB2 H 1 3.802 0.02 . 2 . . . . . . . . 6475 1 668 . 1 1 58 58 SER HB3 H 1 4.968 0.02 . 2 . . . . . . . . 6475 1 669 . 1 1 58 58 SER CA C 13 55.291 0.1 . 1 . . . . . . . . 6475 1 670 . 1 1 58 58 SER CB C 13 62.701 0.1 . 1 . . . . . . . . 6475 1 671 . 1 1 58 58 SER N N 15 112.897 0.1 . 1 . . . . . . . . 6475 1 672 . 1 1 59 59 PRO HA H 1 3.928 0.02 . 1 . . . . . . . . 6475 1 673 . 1 1 59 59 PRO HB2 H 1 1.446 0.02 . 2 . . . . . . . . 6475 1 674 . 1 1 59 59 PRO HB3 H 1 2.068 0.02 . 2 . . . . . . . . 6475 1 675 . 1 1 59 59 PRO HG2 H 1 0.973 0.02 . 2 . . . . . . . . 6475 1 676 . 1 1 59 59 PRO HG3 H 1 1.671 0.02 . 2 . . . . . . . . 6475 1 677 . 1 1 59 59 PRO HD2 H 1 3.354 0.02 . 2 . . . . . . . . 6475 1 678 . 1 1 59 59 PRO HD3 H 1 3.477 0.02 . 2 . . . . . . . . 6475 1 679 . 1 1 59 59 PRO C C 13 176.843 0.1 . 1 . . . . . . . . 6475 1 680 . 1 1 59 59 PRO CA C 13 64.081 0.1 . 1 . . . . . . . . 6475 1 681 . 1 1 59 59 PRO CB C 13 32.555 0.1 . 1 . . . . . . . . 6475 1 682 . 1 1 59 59 PRO CG C 13 25.790 0.1 . 1 . . . . . . . . 6475 1 683 . 1 1 59 59 PRO CD C 13 49.513 0.1 . 1 . . . . . . . . 6475 1 684 . 1 1 60 60 TYR H H 1 8.702 0.02 . 1 . . . . . . . . 6475 1 685 . 1 1 60 60 TYR HA H 1 4.535 0.02 . 1 . . . . . . . . 6475 1 686 . 1 1 60 60 TYR HB2 H 1 2.828 0.02 . 2 . . . . . . . . 6475 1 687 . 1 1 60 60 TYR HB3 H 1 3.256 0.02 . 2 . . . . . . . . 6475 1 688 . 1 1 60 60 TYR HD1 H 1 7.188 0.02 . 1 . . . . . . . . 6475 1 689 . 1 1 60 60 TYR HD2 H 1 7.188 0.02 . 1 . . . . . . . . 6475 1 690 . 1 1 60 60 TYR HE1 H 1 6.829 0.02 . 1 . . . . . . . . 6475 1 691 . 1 1 60 60 TYR HE2 H 1 6.829 0.02 . 1 . . . . . . . . 6475 1 692 . 1 1 60 60 TYR C C 13 176.435 0.1 . 1 . . . . . . . . 6475 1 693 . 1 1 60 60 TYR CA C 13 59.454 0.1 . 1 . . . . . . . . 6475 1 694 . 1 1 60 60 TYR CB C 13 38.578 0.1 . 1 . . . . . . . . 6475 1 695 . 1 1 60 60 TYR CD1 C 13 132.870 0.1 . 1 . . . . . . . . 6475 1 696 . 1 1 60 60 TYR CE1 C 13 118.146 0.1 . 1 . . . . . . . . 6475 1 697 . 1 1 60 60 TYR N N 15 119.080 0.1 . 1 . . . . . . . . 6475 1 698 . 1 1 61 61 SER H H 1 7.648 0.02 . 1 . . . . . . . . 6475 1 699 . 1 1 61 61 SER HA H 1 4.613 0.02 . 1 . . . . . . . . 6475 1 700 . 1 1 61 61 SER HB2 H 1 4.182 0.02 . 2 . . . . . . . . 6475 1 701 . 1 1 61 61 SER HB3 H 1 4.283 0.02 . 2 . . . . . . . . 6475 1 702 . 1 1 61 61 SER C C 13 173.322 0.1 . 1 . . . . . . . . 6475 1 703 . 1 1 61 61 SER CA C 13 58.165 0.1 . 1 . . . . . . . . 6475 1 704 . 1 1 61 61 SER CB C 13 63.962 0.1 . 1 . . . . . . . . 6475 1 705 . 1 1 61 61 SER N N 15 108.702 0.1 . 1 . . . . . . . . 6475 1 706 . 1 1 62 62 SER H H 1 8.764 0.02 . 1 . . . . . . . . 6475 1 707 . 1 1 62 62 SER HA H 1 4.956 0.02 . 1 . . . . . . . . 6475 1 708 . 1 1 62 62 SER HB2 H 1 3.906 0.02 . 2 . . . . . . . . 6475 1 709 . 1 1 62 62 SER HB3 H 1 3.987 0.02 . 2 . . . . . . . . 6475 1 710 . 1 1 62 62 SER C C 13 175.108 0.1 . 1 . . . . . . . . 6475 1 711 . 1 1 62 62 SER CA C 13 58.632 0.1 . 1 . . . . . . . . 6475 1 712 . 1 1 62 62 SER CB C 13 62.924 0.1 . 1 . . . . . . . . 6475 1 713 . 1 1 62 62 SER N N 15 116.619 0.1 . 1 . . . . . . . . 6475 1 714 . 1 1 63 63 LYS H H 1 8.974 0.02 . 1 . . . . . . . . 6475 1 715 . 1 1 63 63 LYS HA H 1 3.660 0.02 . 1 . . . . . . . . 6475 1 716 . 1 1 63 63 LYS HB2 H 1 1.805 0.02 . 1 . . . . . . . . 6475 1 717 . 1 1 63 63 LYS HB3 H 1 1.805 0.02 . 1 . . . . . . . . 6475 1 718 . 1 1 63 63 LYS HG2 H 1 1.340 0.02 . 2 . . . . . . . . 6475 1 719 . 1 1 63 63 LYS HG3 H 1 1.389 0.02 . 2 . . . . . . . . 6475 1 720 . 1 1 63 63 LYS HD2 H 1 1.621 0.02 . 1 . . . . . . . . 6475 1 721 . 1 1 63 63 LYS HD3 H 1 1.621 0.02 . 1 . . . . . . . . 6475 1 722 . 1 1 63 63 LYS HE2 H 1 2.927 0.02 . 1 . . . . . . . . 6475 1 723 . 1 1 63 63 LYS HE3 H 1 2.927 0.02 . 1 . . . . . . . . 6475 1 724 . 1 1 63 63 LYS C C 13 174.868 0.1 . 1 . . . . . . . . 6475 1 725 . 1 1 63 63 LYS CA C 13 54.129 0.1 . 1 . . . . . . . . 6475 1 726 . 1 1 63 63 LYS CB C 13 38.083 0.1 . 1 . . . . . . . . 6475 1 727 . 1 1 63 63 LYS CG C 13 23.696 0.1 . 1 . . . . . . . . 6475 1 728 . 1 1 63 63 LYS CD C 13 29.047 0.1 . 1 . . . . . . . . 6475 1 729 . 1 1 63 63 LYS CE C 13 41.705 0.1 . 1 . . . . . . . . 6475 1 730 . 1 1 63 63 LYS N N 15 122.509 0.1 . 1 . . . . . . . . 6475 1 731 . 1 1 64 64 VAL H H 1 5.221 0.02 . 1 . . . . . . . . 6475 1 732 . 1 1 64 64 VAL HA H 1 4.624 0.02 . 1 . . . . . . . . 6475 1 733 . 1 1 64 64 VAL HB H 1 0.633 0.02 . 1 . . . . . . . . 6475 1 734 . 1 1 64 64 VAL HG11 H 1 0.011 0.02 . 1 . . . . . . . . 6475 1 735 . 1 1 64 64 VAL HG12 H 1 0.011 0.02 . 1 . . . . . . . . 6475 1 736 . 1 1 64 64 VAL HG13 H 1 0.011 0.02 . 1 . . . . . . . . 6475 1 737 . 1 1 64 64 VAL HG21 H 1 0.509 0.02 . 1 . . . . . . . . 6475 1 738 . 1 1 64 64 VAL HG22 H 1 0.509 0.02 . 1 . . . . . . . . 6475 1 739 . 1 1 64 64 VAL HG23 H 1 0.509 0.02 . 1 . . . . . . . . 6475 1 740 . 1 1 64 64 VAL C C 13 175.901 0.1 . 1 . . . . . . . . 6475 1 741 . 1 1 64 64 VAL CA C 13 61.268 0.1 . 1 . . . . . . . . 6475 1 742 . 1 1 64 64 VAL CB C 13 31.610 0.1 . 1 . . . . . . . . 6475 1 743 . 1 1 64 64 VAL CG1 C 13 20.428 0.1 . 1 . . . . . . . . 6475 1 744 . 1 1 64 64 VAL CG2 C 13 19.881 0.1 . 1 . . . . . . . . 6475 1 745 . 1 1 64 64 VAL N N 15 121.690 0.1 . 1 . . . . . . . . 6475 1 746 . 1 1 65 65 ASN H H 1 8.793 0.02 . 1 . . . . . . . . 6475 1 747 . 1 1 65 65 ASN HA H 1 5.090 0.02 . 1 . . . . . . . . 6475 1 748 . 1 1 65 65 ASN HB2 H 1 2.206 0.02 . 2 . . . . . . . . 6475 1 749 . 1 1 65 65 ASN HB3 H 1 2.432 0.02 . 2 . . . . . . . . 6475 1 750 . 1 1 65 65 ASN HD21 H 1 5.790 0.02 . 2 . . . . . . . . 6475 1 751 . 1 1 65 65 ASN HD22 H 1 6.022 0.02 . 2 . . . . . . . . 6475 1 752 . 1 1 65 65 ASN C C 13 171.865 0.1 . 1 . . . . . . . . 6475 1 753 . 1 1 65 65 ASN CA C 13 53.184 0.1 . 1 . . . . . . . . 6475 1 754 . 1 1 65 65 ASN CB C 13 44.522 0.1 . 1 . . . . . . . . 6475 1 755 . 1 1 65 65 ASN N N 15 124.750 0.1 . 1 . . . . . . . . 6475 1 756 . 1 1 65 65 ASN ND2 N 15 109.150 0.1 . 1 . . . . . . . . 6475 1 757 . 1 1 66 66 THR H H 1 8.130 0.02 . 1 . . . . . . . . 6475 1 758 . 1 1 66 66 THR HA H 1 4.562 0.02 . 1 . . . . . . . . 6475 1 759 . 1 1 66 66 THR HB H 1 4.098 0.02 . 1 . . . . . . . . 6475 1 760 . 1 1 66 66 THR HG21 H 1 0.858 0.02 . 1 . . . . . . . . 6475 1 761 . 1 1 66 66 THR HG22 H 1 0.858 0.02 . 1 . . . . . . . . 6475 1 762 . 1 1 66 66 THR HG23 H 1 0.858 0.02 . 1 . . . . . . . . 6475 1 763 . 1 1 66 66 THR C C 13 173.154 0.1 . 1 . . . . . . . . 6475 1 764 . 1 1 66 66 THR CA C 13 63.728 0.1 . 1 . . . . . . . . 6475 1 765 . 1 1 66 66 THR CB C 13 68.611 0.1 . 1 . . . . . . . . 6475 1 766 . 1 1 66 66 THR CG2 C 13 20.975 0.1 . 1 . . . . . . . . 6475 1 767 . 1 1 66 66 THR N N 15 116.438 0.1 . 1 . . . . . . . . 6475 1 768 . 1 1 67 67 LEU H H 1 9.023 0.02 . 1 . . . . . . . . 6475 1 769 . 1 1 67 67 LEU HA H 1 4.440 0.02 . 1 . . . . . . . . 6475 1 770 . 1 1 67 67 LEU HB2 H 1 1.535 0.02 . 1 . . . . . . . . 6475 1 771 . 1 1 67 67 LEU HB3 H 1 1.535 0.02 . 1 . . . . . . . . 6475 1 772 . 1 1 67 67 LEU HG H 1 1.085 0.02 . 1 . . . . . . . . 6475 1 773 . 1 1 67 67 LEU HD11 H 1 -0.136 0.02 . 1 . . . . . . . . 6475 1 774 . 1 1 67 67 LEU HD12 H 1 -0.136 0.02 . 1 . . . . . . . . 6475 1 775 . 1 1 67 67 LEU HD13 H 1 -0.136 0.02 . 1 . . . . . . . . 6475 1 776 . 1 1 67 67 LEU HD21 H 1 0.179 0.02 . 1 . . . . . . . . 6475 1 777 . 1 1 67 67 LEU HD22 H 1 0.179 0.02 . 1 . . . . . . . . 6475 1 778 . 1 1 67 67 LEU HD23 H 1 0.179 0.02 . 1 . . . . . . . . 6475 1 779 . 1 1 67 67 LEU C C 13 174.781 0.1 . 1 . . . . . . . . 6475 1 780 . 1 1 67 67 LEU CA C 13 54.588 0.1 . 1 . . . . . . . . 6475 1 781 . 1 1 67 67 LEU CB C 13 44.548 0.1 . 1 . . . . . . . . 6475 1 782 . 1 1 67 67 LEU CG C 13 26.637 0.1 . 1 . . . . . . . . 6475 1 783 . 1 1 67 67 LEU CD1 C 13 24.461 0.1 . 1 . . . . . . . . 6475 1 784 . 1 1 67 67 LEU CD2 C 13 23.377 0.1 . 1 . . . . . . . . 6475 1 785 . 1 1 67 67 LEU N N 15 131.597 0.1 . 1 . . . . . . . . 6475 1 786 . 1 1 68 68 VAL H H 1 8.937 0.02 . 1 . . . . . . . . 6475 1 787 . 1 1 68 68 VAL HA H 1 4.440 0.02 . 1 . . . . . . . . 6475 1 788 . 1 1 68 68 VAL HB H 1 1.538 0.02 . 1 . . . . . . . . 6475 1 789 . 1 1 68 68 VAL HG11 H 1 0.424 0.02 . 1 . . . . . . . . 6475 1 790 . 1 1 68 68 VAL HG12 H 1 0.424 0.02 . 1 . . . . . . . . 6475 1 791 . 1 1 68 68 VAL HG13 H 1 0.424 0.02 . 1 . . . . . . . . 6475 1 792 . 1 1 68 68 VAL HG21 H 1 0.549 0.02 . 1 . . . . . . . . 6475 1 793 . 1 1 68 68 VAL HG22 H 1 0.549 0.02 . 1 . . . . . . . . 6475 1 794 . 1 1 68 68 VAL HG23 H 1 0.549 0.02 . 1 . . . . . . . . 6475 1 795 . 1 1 68 68 VAL C C 13 175.514 0.1 . 1 . . . . . . . . 6475 1 796 . 1 1 68 68 VAL CA C 13 61.504 0.1 . 1 . . . . . . . . 6475 1 797 . 1 1 68 68 VAL CB C 13 31.891 0.1 . 1 . . . . . . . . 6475 1 798 . 1 1 68 68 VAL CG1 C 13 19.577 0.1 . 1 . . . . . . . . 6475 1 799 . 1 1 68 68 VAL CG2 C 13 19.577 0.1 . 1 . . . . . . . . 6475 1 800 . 1 1 68 68 VAL N N 15 126.183 0.1 . 1 . . . . . . . . 6475 1 801 . 1 1 69 69 MET H H 1 8.576 0.02 . 1 . . . . . . . . 6475 1 802 . 1 1 69 69 MET HA H 1 5.252 0.02 . 1 . . . . . . . . 6475 1 803 . 1 1 69 69 MET HB2 H 1 1.891 0.02 . 2 . . . . . . . . 6475 1 804 . 1 1 69 69 MET HB3 H 1 1.683 0.02 . 2 . . . . . . . . 6475 1 805 . 1 1 69 69 MET HG2 H 1 2.201 0.02 . 2 . . . . . . . . 6475 1 806 . 1 1 69 69 MET HG3 H 1 2.807 0.02 . 2 . . . . . . . . 6475 1 807 . 1 1 69 69 MET HE1 H 1 2.095 0.02 . 1 . . . . . . . . 6475 1 808 . 1 1 69 69 MET HE2 H 1 2.095 0.02 . 1 . . . . . . . . 6475 1 809 . 1 1 69 69 MET HE3 H 1 2.095 0.02 . 1 . . . . . . . . 6475 1 810 . 1 1 69 69 MET C C 13 175.581 0.1 . 1 . . . . . . . . 6475 1 811 . 1 1 69 69 MET CA C 13 52.013 0.1 . 1 . . . . . . . . 6475 1 812 . 1 1 69 69 MET CB C 13 33.903 0.1 . 1 . . . . . . . . 6475 1 813 . 1 1 69 69 MET CG C 13 31.878 0.1 . 1 . . . . . . . . 6475 1 814 . 1 1 69 69 MET CE C 13 18.003 0.1 . 1 . . . . . . . . 6475 1 815 . 1 1 69 69 MET N N 15 125.551 0.1 . 1 . . . . . . . . 6475 1 816 . 1 1 70 70 ASP H H 1 7.487 0.02 . 1 . . . . . . . . 6475 1 817 . 1 1 70 70 ASP HA H 1 3.867 0.02 . 1 . . . . . . . . 6475 1 818 . 1 1 70 70 ASP HB2 H 1 3.015 0.02 . 2 . . . . . . . . 6475 1 819 . 1 1 70 70 ASP HB3 H 1 1.852 0.02 . 2 . . . . . . . . 6475 1 820 . 1 1 70 70 ASP C C 13 176.631 0.1 . 1 . . . . . . . . 6475 1 821 . 1 1 70 70 ASP CA C 13 54.528 0.1 . 1 . . . . . . . . 6475 1 822 . 1 1 70 70 ASP CB C 13 39.143 0.1 . 1 . . . . . . . . 6475 1 823 . 1 1 70 70 ASP N N 15 129.326 0.1 . 1 . . . . . . . . 6475 1 824 . 1 1 71 71 GLY H H 1 7.250 0.02 . 1 . . . . . . . . 6475 1 825 . 1 1 71 71 GLY HA2 H 1 3.220 0.02 . 2 . . . . . . . . 6475 1 826 . 1 1 71 71 GLY HA3 H 1 4.003 0.02 . 2 . . . . . . . . 6475 1 827 . 1 1 71 71 GLY C C 13 173.605 0.1 . 1 . . . . . . . . 6475 1 828 . 1 1 71 71 GLY CA C 13 45.801 0.1 . 1 . . . . . . . . 6475 1 829 . 1 1 71 71 GLY N N 15 103.538 0.1 . 1 . . . . . . . . 6475 1 830 . 1 1 72 72 THR H H 1 7.288 0.02 . 1 . . . . . . . . 6475 1 831 . 1 1 72 72 THR HA H 1 4.197 0.02 . 1 . . . . . . . . 6475 1 832 . 1 1 72 72 THR HB H 1 4.062 0.02 . 1 . . . . . . . . 6475 1 833 . 1 1 72 72 THR HG21 H 1 1.121 0.02 . 1 . . . . . . . . 6475 1 834 . 1 1 72 72 THR HG22 H 1 1.121 0.02 . 1 . . . . . . . . 6475 1 835 . 1 1 72 72 THR HG23 H 1 1.121 0.02 . 1 . . . . . . . . 6475 1 836 . 1 1 72 72 THR C C 13 172.274 0.1 . 1 . . . . . . . . 6475 1 837 . 1 1 72 72 THR CA C 13 62.321 0.1 . 1 . . . . . . . . 6475 1 838 . 1 1 72 72 THR CB C 13 69.383 0.1 . 1 . . . . . . . . 6475 1 839 . 1 1 72 72 THR CG2 C 13 21.343 0.1 . 1 . . . . . . . . 6475 1 840 . 1 1 72 72 THR N N 15 118.317 0.1 . 1 . . . . . . . . 6475 1 841 . 1 1 73 73 ALA H H 1 8.523 0.02 . 1 . . . . . . . . 6475 1 842 . 1 1 73 73 ALA HA H 1 4.871 0.02 . 1 . . . . . . . . 6475 1 843 . 1 1 73 73 ALA HB1 H 1 1.095 0.02 . 1 . . . . . . . . 6475 1 844 . 1 1 73 73 ALA HB2 H 1 1.095 0.02 . 1 . . . . . . . . 6475 1 845 . 1 1 73 73 ALA HB3 H 1 1.095 0.02 . 1 . . . . . . . . 6475 1 846 . 1 1 73 73 ALA C C 13 176.348 0.1 . 1 . . . . . . . . 6475 1 847 . 1 1 73 73 ALA CA C 13 50.727 0.1 . 1 . . . . . . . . 6475 1 848 . 1 1 73 73 ALA CB C 13 20.211 0.1 . 1 . . . . . . . . 6475 1 849 . 1 1 73 73 ALA N N 15 130.662 0.1 . 1 . . . . . . . . 6475 1 850 . 1 1 74 74 LEU H H 1 9.040 0.02 . 1 . . . . . . . . 6475 1 851 . 1 1 74 74 LEU HA H 1 4.581 0.02 . 1 . . . . . . . . 6475 1 852 . 1 1 74 74 LEU HB2 H 1 1.534 0.02 . 1 . . . . . . . . 6475 1 853 . 1 1 74 74 LEU HB3 H 1 1.534 0.02 . 1 . . . . . . . . 6475 1 854 . 1 1 74 74 LEU HG H 1 1.532 0.02 . 1 . . . . . . . . 6475 1 855 . 1 1 74 74 LEU HD11 H 1 0.816 0.02 . 1 . . . . . . . . 6475 1 856 . 1 1 74 74 LEU HD12 H 1 0.816 0.02 . 1 . . . . . . . . 6475 1 857 . 1 1 74 74 LEU HD13 H 1 0.816 0.02 . 1 . . . . . . . . 6475 1 858 . 1 1 74 74 LEU HD21 H 1 0.802 0.02 . 1 . . . . . . . . 6475 1 859 . 1 1 74 74 LEU HD22 H 1 0.802 0.02 . 1 . . . . . . . . 6475 1 860 . 1 1 74 74 LEU HD23 H 1 0.802 0.02 . 1 . . . . . . . . 6475 1 861 . 1 1 74 74 LEU C C 13 175.232 0.1 . 1 . . . . . . . . 6475 1 862 . 1 1 74 74 LEU CA C 13 53.827 0.1 . 1 . . . . . . . . 6475 1 863 . 1 1 74 74 LEU CB C 13 44.795 0.1 . 1 . . . . . . . . 6475 1 864 . 1 1 74 74 LEU CG C 13 26.075 0.1 . 1 . . . . . . . . 6475 1 865 . 1 1 74 74 LEU CD1 C 13 24.750 0.1 . 1 . . . . . . . . 6475 1 866 . 1 1 74 74 LEU CD2 C 13 26.360 0.1 . 1 . . . . . . . . 6475 1 867 . 1 1 74 74 LEU N N 15 125.233 0.1 . 1 . . . . . . . . 6475 1 868 . 1 1 75 75 SER H H 1 8.528 0.02 . 1 . . . . . . . . 6475 1 869 . 1 1 75 75 SER HA H 1 4.361 0.02 . 1 . . . . . . . . 6475 1 870 . 1 1 75 75 SER HB2 H 1 3.574 0.02 . 1 . . . . . . . . 6475 1 871 . 1 1 75 75 SER HB3 H 1 3.574 0.02 . 1 . . . . . . . . 6475 1 872 . 1 1 75 75 SER C C 13 173.716 0.1 . 1 . . . . . . . . 6475 1 873 . 1 1 75 75 SER CA C 13 59.158 0.1 . 1 . . . . . . . . 6475 1 874 . 1 1 75 75 SER CB C 13 62.403 0.1 . 1 . . . . . . . . 6475 1 875 . 1 1 75 75 SER N N 15 119.548 0.1 . 1 . . . . . . . . 6475 1 876 . 1 1 76 76 TYR H H 1 8.789 0.02 . 1 . . . . . . . . 6475 1 877 . 1 1 76 76 TYR HA H 1 4.244 0.02 . 1 . . . . . . . . 6475 1 878 . 1 1 76 76 TYR HB2 H 1 2.207 0.02 . 1 . . . . . . . . 6475 1 879 . 1 1 76 76 TYR HB3 H 1 2.207 0.02 . 1 . . . . . . . . 6475 1 880 . 1 1 76 76 TYR HD1 H 1 5.287 0.02 . 1 . . . . . . . . 6475 1 881 . 1 1 76 76 TYR HE1 H 1 6.261 0.02 . 1 . . . . . . . . 6475 1 882 . 1 1 76 76 TYR C C 13 171.095 0.1 . 1 . . . . . . . . 6475 1 883 . 1 1 76 76 TYR CA C 13 57.867 0.1 . 1 . . . . . . . . 6475 1 884 . 1 1 76 76 TYR CB C 13 42.754 0.1 . 1 . . . . . . . . 6475 1 885 . 1 1 76 76 TYR CD1 C 13 132.800 0.1 . 1 . . . . . . . . 6475 1 886 . 1 1 76 76 TYR CD2 C 13 132.800 0.1 . 1 . . . . . . . . 6475 1 887 . 1 1 76 76 TYR CE1 C 13 117.300 0.1 . 1 . . . . . . . . 6475 1 888 . 1 1 76 76 TYR CE2 C 13 117.300 0.1 . 1 . . . . . . . . 6475 1 889 . 1 1 76 76 TYR N N 15 131.005 0.1 . 1 . . . . . . . . 6475 1 890 . 1 1 77 77 ALA H H 1 6.954 0.02 . 1 . . . . . . . . 6475 1 891 . 1 1 77 77 ALA HA H 1 4.108 0.02 . 1 . . . . . . . . 6475 1 892 . 1 1 77 77 ALA HB1 H 1 0.780 0.02 . 1 . . . . . . . . 6475 1 893 . 1 1 77 77 ALA HB2 H 1 0.780 0.02 . 1 . . . . . . . . 6475 1 894 . 1 1 77 77 ALA HB3 H 1 0.780 0.02 . 1 . . . . . . . . 6475 1 895 . 1 1 77 77 ALA C C 13 174.482 0.1 . 1 . . . . . . . . 6475 1 896 . 1 1 77 77 ALA CA C 13 50.079 0.1 . 1 . . . . . . . . 6475 1 897 . 1 1 77 77 ALA CB C 13 17.376 0.1 . 1 . . . . . . . . 6475 1 898 . 1 1 77 77 ALA N N 15 128.025 0.1 . 1 . . . . . . . . 6475 1 899 . 1 1 78 78 PHE H H 1 8.580 0.02 . 1 . . . . . . . . 6475 1 900 . 1 1 78 78 PHE HA H 1 3.708 0.02 . 1 . . . . . . . . 6475 1 901 . 1 1 78 78 PHE HB2 H 1 2.317 0.02 . 2 . . . . . . . . 6475 1 902 . 1 1 78 78 PHE HB3 H 1 2.877 0.02 . 2 . . . . . . . . 6475 1 903 . 1 1 78 78 PHE HZ H 1 6.419 0.02 . 1 . . . . . . . . 6475 1 904 . 1 1 78 78 PHE C C 13 174.418 0.1 . 1 . . . . . . . . 6475 1 905 . 1 1 78 78 PHE CA C 13 57.753 0.1 . 1 . . . . . . . . 6475 1 906 . 1 1 78 78 PHE CB C 13 37.296 0.1 . 1 . . . . . . . . 6475 1 907 . 1 1 78 78 PHE CZ C 13 128.167 0.1 . 1 . . . . . . . . 6475 1 908 . 1 1 78 78 PHE N N 15 126.966 0.1 . 1 . . . . . . . . 6475 1 909 . 1 1 79 79 ALA H H 1 8.021 0.02 . 1 . . . . . . . . 6475 1 910 . 1 1 79 79 ALA HA H 1 4.099 0.02 . 1 . . . . . . . . 6475 1 911 . 1 1 79 79 ALA HB1 H 1 1.536 0.02 . 1 . . . . . . . . 6475 1 912 . 1 1 79 79 ALA HB2 H 1 1.536 0.02 . 1 . . . . . . . . 6475 1 913 . 1 1 79 79 ALA HB3 H 1 1.536 0.02 . 1 . . . . . . . . 6475 1 914 . 1 1 79 79 ALA C C 13 174.827 0.1 . 1 . . . . . . . . 6475 1 915 . 1 1 79 79 ALA CA C 13 51.894 0.1 . 1 . . . . . . . . 6475 1 916 . 1 1 79 79 ALA CB C 13 19.431 0.1 . 1 . . . . . . . . 6475 1 917 . 1 1 79 79 ALA N N 15 128.462 0.1 . 1 . . . . . . . . 6475 1 918 . 1 1 80 80 GLU H H 1 7.770 0.02 . 1 . . . . . . . . 6475 1 919 . 1 1 80 80 GLU HA H 1 4.160 0.02 . 1 . . . . . . . . 6475 1 920 . 1 1 80 80 GLU HB2 H 1 1.918 0.02 . 2 . . . . . . . . 6475 1 921 . 1 1 80 80 GLU HB3 H 1 1.859 0.02 . 2 . . . . . . . . 6475 1 922 . 1 1 80 80 GLU HG2 H 1 1.992 0.02 . 2 . . . . . . . . 6475 1 923 . 1 1 80 80 GLU HG3 H 1 1.933 0.02 . 2 . . . . . . . . 6475 1 924 . 1 1 80 80 GLU C C 13 177.209 0.1 . 1 . . . . . . . . 6475 1 925 . 1 1 80 80 GLU CA C 13 57.404 0.1 . 1 . . . . . . . . 6475 1 926 . 1 1 80 80 GLU CB C 13 30.042 0.1 . 1 . . . . . . . . 6475 1 927 . 1 1 80 80 GLU CG C 13 35.385 0.1 . 1 . . . . . . . . 6475 1 928 . 1 1 80 80 GLU N N 15 117.231 0.1 . 1 . . . . . . . . 6475 1 929 . 1 1 81 81 ALA H H 1 8.542 0.02 . 1 . . . . . . . . 6475 1 930 . 1 1 81 81 ALA HA H 1 4.490 0.02 . 1 . . . . . . . . 6475 1 931 . 1 1 81 81 ALA HB1 H 1 1.194 0.02 . 1 . . . . . . . . 6475 1 932 . 1 1 81 81 ALA HB2 H 1 1.194 0.02 . 1 . . . . . . . . 6475 1 933 . 1 1 81 81 ALA HB3 H 1 1.194 0.02 . 1 . . . . . . . . 6475 1 934 . 1 1 81 81 ALA C C 13 176.649 0.1 . 1 . . . . . . . . 6475 1 935 . 1 1 81 81 ALA CA C 13 52.772 0.1 . 1 . . . . . . . . 6475 1 936 . 1 1 81 81 ALA CB C 13 21.229 0.1 . 1 . . . . . . . . 6475 1 937 . 1 1 81 81 ALA N N 15 130.256 0.1 . 1 . . . . . . . . 6475 1 938 . 1 1 82 82 THR H H 1 8.688 0.02 . 1 . . . . . . . . 6475 1 939 . 1 1 82 82 THR HA H 1 4.036 0.02 . 1 . . . . . . . . 6475 1 940 . 1 1 82 82 THR HB H 1 4.158 0.02 . 1 . . . . . . . . 6475 1 941 . 1 1 82 82 THR HG21 H 1 1.183 0.02 . 1 . . . . . . . . 6475 1 942 . 1 1 82 82 THR HG22 H 1 1.183 0.02 . 1 . . . . . . . . 6475 1 943 . 1 1 82 82 THR HG23 H 1 1.183 0.02 . 1 . . . . . . . . 6475 1 944 . 1 1 82 82 THR C C 13 174.787 0.1 . 1 . . . . . . . . 6475 1 945 . 1 1 82 82 THR CA C 13 63.145 0.1 . 1 . . . . . . . . 6475 1 946 . 1 1 82 82 THR CB C 13 68.084 0.1 . 1 . . . . . . . . 6475 1 947 . 1 1 82 82 THR CG2 C 13 21.769 0.1 . 1 . . . . . . . . 6475 1 948 . 1 1 82 82 THR N N 15 117.604 0.1 . 1 . . . . . . . . 6475 1 949 . 1 1 83 83 VAL H H 1 7.415 0.02 . 1 . . . . . . . . 6475 1 950 . 1 1 83 83 VAL HA H 1 4.247 0.02 . 1 . . . . . . . . 6475 1 951 . 1 1 83 83 VAL HB H 1 1.849 0.02 . 1 . . . . . . . . 6475 1 952 . 1 1 83 83 VAL HG11 H 1 0.762 0.02 . 1 . . . . . . . . 6475 1 953 . 1 1 83 83 VAL HG12 H 1 0.762 0.02 . 1 . . . . . . . . 6475 1 954 . 1 1 83 83 VAL HG13 H 1 0.762 0.02 . 1 . . . . . . . . 6475 1 955 . 1 1 83 83 VAL HG21 H 1 0.784 0.02 . 1 . . . . . . . . 6475 1 956 . 1 1 83 83 VAL HG22 H 1 0.784 0.02 . 1 . . . . . . . . 6475 1 957 . 1 1 83 83 VAL HG23 H 1 0.784 0.02 . 1 . . . . . . . . 6475 1 958 . 1 1 83 83 VAL C C 13 173.321 0.1 . 1 . . . . . . . . 6475 1 959 . 1 1 83 83 VAL CA C 13 59.044 0.1 . 1 . . . . . . . . 6475 1 960 . 1 1 83 83 VAL CB C 13 32.374 0.1 . 1 . . . . . . . . 6475 1 961 . 1 1 83 83 VAL CG1 C 13 20.055 0.1 . 1 . . . . . . . . 6475 1 962 . 1 1 83 83 VAL CG2 C 13 20.555 0.1 . 1 . . . . . . . . 6475 1 963 . 1 1 83 83 VAL N N 15 122.980 0.1 . 1 . . . . . . . . 6475 1 964 . 1 1 84 84 PRO HA H 1 3.830 0.02 . 1 . . . . . . . . 6475 1 965 . 1 1 84 84 PRO HB2 H 1 1.071 0.02 . 2 . . . . . . . . 6475 1 966 . 1 1 84 84 PRO HB3 H 1 1.177 0.02 . 2 . . . . . . . . 6475 1 967 . 1 1 84 84 PRO HG2 H 1 1.094 0.02 . 2 . . . . . . . . 6475 1 968 . 1 1 84 84 PRO HG3 H 1 1.573 0.02 . 2 . . . . . . . . 6475 1 969 . 1 1 84 84 PRO HD2 H 1 3.269 0.02 . 2 . . . . . . . . 6475 1 970 . 1 1 84 84 PRO HD3 H 1 3.709 0.02 . 2 . . . . . . . . 6475 1 971 . 1 1 84 84 PRO C C 13 175.259 0.1 . 1 . . . . . . . . 6475 1 972 . 1 1 84 84 PRO CA C 13 63.026 0.1 . 1 . . . . . . . . 6475 1 973 . 1 1 84 84 PRO CB C 13 31.735 0.1 . 1 . . . . . . . . 6475 1 974 . 1 1 84 84 PRO CG C 13 27.160 0.1 . 1 . . . . . . . . 6475 1 975 . 1 1 84 84 PRO CD C 13 50.811 0.1 . 1 . . . . . . . . 6475 1 976 . 1 1 85 85 VAL H H 1 8.300 0.02 . 1 . . . . . . . . 6475 1 977 . 1 1 85 85 VAL HA H 1 3.767 0.02 . 1 . . . . . . . . 6475 1 978 . 1 1 85 85 VAL HB H 1 0.320 0.02 . 1 . . . . . . . . 6475 1 979 . 1 1 85 85 VAL HG11 H 1 0.247 0.02 . 1 . . . . . . . . 6475 1 980 . 1 1 85 85 VAL HG12 H 1 0.247 0.02 . 1 . . . . . . . . 6475 1 981 . 1 1 85 85 VAL HG13 H 1 0.247 0.02 . 1 . . . . . . . . 6475 1 982 . 1 1 85 85 VAL HG21 H 1 0.779 0.02 . 1 . . . . . . . . 6475 1 983 . 1 1 85 85 VAL HG22 H 1 0.779 0.02 . 1 . . . . . . . . 6475 1 984 . 1 1 85 85 VAL HG23 H 1 0.779 0.02 . 1 . . . . . . . . 6475 1 985 . 1 1 85 85 VAL C C 13 173.476 0.1 . 1 . . . . . . . . 6475 1 986 . 1 1 85 85 VAL CA C 13 60.273 0.1 . 1 . . . . . . . . 6475 1 987 . 1 1 85 85 VAL CB C 13 34.709 0.1 . 1 . . . . . . . . 6475 1 988 . 1 1 85 85 VAL CG1 C 13 20.684 0.1 . 1 . . . . . . . . 6475 1 989 . 1 1 85 85 VAL CG2 C 13 21.506 0.1 . 1 . . . . . . . . 6475 1 990 . 1 1 85 85 VAL N N 15 125.058 0.1 . 1 . . . . . . . . 6475 1 991 . 1 1 86 86 THR H H 1 8.170 0.02 . 1 . . . . . . . . 6475 1 992 . 1 1 86 86 THR HA H 1 4.871 0.02 . 1 . . . . . . . . 6475 1 993 . 1 1 86 86 THR HB H 1 3.693 0.02 . 1 . . . . . . . . 6475 1 994 . 1 1 86 86 THR HG21 H 1 0.949 0.02 . 1 . . . . . . . . 6475 1 995 . 1 1 86 86 THR HG22 H 1 0.949 0.02 . 1 . . . . . . . . 6475 1 996 . 1 1 86 86 THR HG23 H 1 0.949 0.02 . 1 . . . . . . . . 6475 1 997 . 1 1 86 86 THR C C 13 174.400 0.1 . 1 . . . . . . . . 6475 1 998 . 1 1 86 86 THR CA C 13 61.737 0.1 . 1 . . . . . . . . 6475 1 999 . 1 1 86 86 THR CB C 13 69.661 0.1 . 1 . . . . . . . . 6475 1 1000 . 1 1 86 86 THR CG2 C 13 22.460 0.1 . 1 . . . . . . . . 6475 1 1001 . 1 1 86 86 THR N N 15 118.558 0.1 . 1 . . . . . . . . 6475 1 1002 . 1 1 87 87 TYR H H 1 9.656 0.02 . 1 . . . . . . . . 6475 1 1003 . 1 1 87 87 TYR HA H 1 4.660 0.02 . 1 . . . . . . . . 6475 1 1004 . 1 1 87 87 TYR HB2 H 1 3.241 0.02 . 2 . . . . . . . . 6475 1 1005 . 1 1 87 87 TYR HB3 H 1 3.305 0.02 . 2 . . . . . . . . 6475 1 1006 . 1 1 87 87 TYR HD1 H 1 6.852 0.02 . 1 . . . . . . . . 6475 1 1007 . 1 1 87 87 TYR HD2 H 1 6.852 0.02 . 1 . . . . . . . . 6475 1 1008 . 1 1 87 87 TYR HE1 H 1 6.633 0.02 . 1 . . . . . . . . 6475 1 1009 . 1 1 87 87 TYR HE2 H 1 6.633 0.02 . 1 . . . . . . . . 6475 1 1010 . 1 1 87 87 TYR C C 13 174.000 0.1 . 1 . . . . . . . . 6475 1 1011 . 1 1 87 87 TYR CA C 13 58.340 0.1 . 1 . . . . . . . . 6475 1 1012 . 1 1 87 87 TYR CB C 13 39.112 0.1 . 1 . . . . . . . . 6475 1 1013 . 1 1 87 87 TYR CD1 C 13 132.290 0.1 . 1 . . . . . . . . 6475 1 1014 . 1 1 87 87 TYR CE1 C 13 117.780 0.1 . 1 . . . . . . . . 6475 1 1015 . 1 1 87 87 TYR N N 15 131.892 0.1 . 1 . . . . . . . . 6475 1 1016 . 1 1 88 88 VAL H H 1 7.604 0.02 . 1 . . . . . . . . 6475 1 1017 . 1 1 88 88 VAL HA H 1 5.207 0.02 . 1 . . . . . . . . 6475 1 1018 . 1 1 88 88 VAL HB H 1 1.572 0.02 . 1 . . . . . . . . 6475 1 1019 . 1 1 88 88 VAL HG11 H 1 0.645 0.02 . 1 . . . . . . . . 6475 1 1020 . 1 1 88 88 VAL HG12 H 1 0.645 0.02 . 1 . . . . . . . . 6475 1 1021 . 1 1 88 88 VAL HG13 H 1 0.645 0.02 . 1 . . . . . . . . 6475 1 1022 . 1 1 88 88 VAL HG21 H 1 0.753 0.02 . 1 . . . . . . . . 6475 1 1023 . 1 1 88 88 VAL HG22 H 1 0.753 0.02 . 1 . . . . . . . . 6475 1 1024 . 1 1 88 88 VAL HG23 H 1 0.753 0.02 . 1 . . . . . . . . 6475 1 1025 . 1 1 88 88 VAL C C 13 175.233 0.1 . 1 . . . . . . . . 6475 1 1026 . 1 1 88 88 VAL CA C 13 59.978 0.1 . 1 . . . . . . . . 6475 1 1027 . 1 1 88 88 VAL CB C 13 34.460 0.1 . 1 . . . . . . . . 6475 1 1028 . 1 1 88 88 VAL CG1 C 13 20.679 0.1 . 1 . . . . . . . . 6475 1 1029 . 1 1 88 88 VAL CG2 C 13 20.679 0.1 . 1 . . . . . . . . 6475 1 1030 . 1 1 88 88 VAL N N 15 127.742 0.1 . 1 . . . . . . . . 6475 1 1031 . 1 1 89 89 GLN H H 1 8.565 0.02 . 1 . . . . . . . . 6475 1 1032 . 1 1 89 89 GLN HA H 1 4.464 0.02 . 1 . . . . . . . . 6475 1 1033 . 1 1 89 89 GLN HB2 H 1 1.895 0.02 . 2 . . . . . . . . 6475 1 1034 . 1 1 89 89 GLN HB3 H 1 2.045 0.02 . 2 . . . . . . . . 6475 1 1035 . 1 1 89 89 GLN HG2 H 1 2.216 0.02 . 2 . . . . . . . . 6475 1 1036 . 1 1 89 89 GLN HG3 H 1 2.308 0.02 . 2 . . . . . . . . 6475 1 1037 . 1 1 89 89 GLN HE21 H 1 6.824 0.02 . 2 . . . . . . . . 6475 1 1038 . 1 1 89 89 GLN HE22 H 1 7.325 0.02 . 2 . . . . . . . . 6475 1 1039 . 1 1 89 89 GLN C C 13 173.691 0.1 . 1 . . . . . . . . 6475 1 1040 . 1 1 89 89 GLN CA C 13 54.819 0.1 . 1 . . . . . . . . 6475 1 1041 . 1 1 89 89 GLN CB C 13 33.917 0.1 . 1 . . . . . . . . 6475 1 1042 . 1 1 89 89 GLN CG C 13 33.759 0.1 . 1 . . . . . . . . 6475 1 1043 . 1 1 89 89 GLN N N 15 124.936 0.1 . 1 . . . . . . . . 6475 1 1044 . 1 1 89 89 GLN NE2 N 15 109.908 0.1 . 1 . . . . . . . . 6475 1 1045 . 1 1 90 90 THR H H 1 8.596 0.02 . 1 . . . . . . . . 6475 1 1046 . 1 1 90 90 THR HA H 1 5.528 0.02 . 1 . . . . . . . . 6475 1 1047 . 1 1 90 90 THR HB H 1 3.916 0.02 . 1 . . . . . . . . 6475 1 1048 . 1 1 90 90 THR HG21 H 1 0.975 0.02 . 1 . . . . . . . . 6475 1 1049 . 1 1 90 90 THR HG22 H 1 0.975 0.02 . 1 . . . . . . . . 6475 1 1050 . 1 1 90 90 THR HG23 H 1 0.975 0.02 . 1 . . . . . . . . 6475 1 1051 . 1 1 90 90 THR C C 13 174.438 0.1 . 1 . . . . . . . . 6475 1 1052 . 1 1 90 90 THR CA C 13 60.917 0.1 . 1 . . . . . . . . 6475 1 1053 . 1 1 90 90 THR CB C 13 69.654 0.1 . 1 . . . . . . . . 6475 1 1054 . 1 1 90 90 THR CG2 C 13 21.214 0.1 . 1 . . . . . . . . 6475 1 1055 . 1 1 90 90 THR N N 15 119.631 0.1 . 1 . . . . . . . . 6475 1 1056 . 1 1 91 91 LYS H H 1 9.191 0.02 . 1 . . . . . . . . 6475 1 1057 . 1 1 91 91 LYS HA H 1 4.634 0.02 . 1 . . . . . . . . 6475 1 1058 . 1 1 91 91 LYS HB2 H 1 1.668 0.02 . 1 . . . . . . . . 6475 1 1059 . 1 1 91 91 LYS HB3 H 1 1.668 0.02 . 1 . . . . . . . . 6475 1 1060 . 1 1 91 91 LYS HG2 H 1 1.305 0.02 . 2 . . . . . . . . 6475 1 1061 . 1 1 91 91 LYS HG3 H 1 1.524 0.02 . 2 . . . . . . . . 6475 1 1062 . 1 1 91 91 LYS HD2 H 1 1.486 0.02 . 2 . . . . . . . . 6475 1 1063 . 1 1 91 91 LYS HD3 H 1 1.646 0.02 . 2 . . . . . . . . 6475 1 1064 . 1 1 91 91 LYS HE2 H 1 3.122 0.02 . 2 . . . . . . . . 6475 1 1065 . 1 1 91 91 LYS HE3 H 1 2.987 0.02 . 2 . . . . . . . . 6475 1 1066 . 1 1 91 91 LYS C C 13 174.697 0.1 . 1 . . . . . . . . 6475 1 1067 . 1 1 91 91 LYS CA C 13 55.643 0.1 . 1 . . . . . . . . 6475 1 1068 . 1 1 91 91 LYS CB C 13 36.760 0.1 . 1 . . . . . . . . 6475 1 1069 . 1 1 91 91 LYS CG C 13 23.935 0.1 . 1 . . . . . . . . 6475 1 1070 . 1 1 91 91 LYS CD C 13 28.789 0.1 . 1 . . . . . . . . 6475 1 1071 . 1 1 91 91 LYS CE C 13 41.507 0.1 . 1 . . . . . . . . 6475 1 1072 . 1 1 91 91 LYS N N 15 124.712 0.1 . 1 . . . . . . . . 6475 1 1073 . 1 1 92 92 THR H H 1 8.549 0.02 . 1 . . . . . . . . 6475 1 1074 . 1 1 92 92 THR HA H 1 4.879 0.02 . 1 . . . . . . . . 6475 1 1075 . 1 1 92 92 THR HB H 1 3.927 0.02 . 1 . . . . . . . . 6475 1 1076 . 1 1 92 92 THR HG21 H 1 0.979 0.02 . 1 . . . . . . . . 6475 1 1077 . 1 1 92 92 THR HG22 H 1 0.979 0.02 . 1 . . . . . . . . 6475 1 1078 . 1 1 92 92 THR HG23 H 1 0.979 0.02 . 1 . . . . . . . . 6475 1 1079 . 1 1 92 92 THR C C 13 174.309 0.1 . 1 . . . . . . . . 6475 1 1080 . 1 1 92 92 THR CA C 13 63.028 0.1 . 1 . . . . . . . . 6475 1 1081 . 1 1 92 92 THR CB C 13 68.350 0.1 . 1 . . . . . . . . 6475 1 1082 . 1 1 92 92 THR CG2 C 13 21.068 0.1 . 1 . . . . . . . . 6475 1 1083 . 1 1 92 92 THR N N 15 120.848 0.1 . 1 . . . . . . . . 6475 1 1084 . 1 1 93 93 LEU H H 1 9.093 0.02 . 1 . . . . . . . . 6475 1 1085 . 1 1 93 93 LEU HA H 1 4.660 0.02 . 1 . . . . . . . . 6475 1 1086 . 1 1 93 93 LEU HB2 H 1 1.596 0.02 . 2 . . . . . . . . 6475 1 1087 . 1 1 93 93 LEU HB3 H 1 -0.024 0.02 . 2 . . . . . . . . 6475 1 1088 . 1 1 93 93 LEU HG H 1 1.463 0.02 . 1 . . . . . . . . 6475 1 1089 . 1 1 93 93 LEU HD11 H 1 0.340 0.02 . 1 . . . . . . . . 6475 1 1090 . 1 1 93 93 LEU HD12 H 1 0.340 0.02 . 1 . . . . . . . . 6475 1 1091 . 1 1 93 93 LEU HD13 H 1 0.340 0.02 . 1 . . . . . . . . 6475 1 1092 . 1 1 93 93 LEU HD21 H 1 0.076 0.02 . 1 . . . . . . . . 6475 1 1093 . 1 1 93 93 LEU HD22 H 1 0.076 0.02 . 1 . . . . . . . . 6475 1 1094 . 1 1 93 93 LEU HD23 H 1 0.076 0.02 . 1 . . . . . . . . 6475 1 1095 . 1 1 93 93 LEU C C 13 175.188 0.1 . 1 . . . . . . . . 6475 1 1096 . 1 1 93 93 LEU CA C 13 52.479 0.1 . 1 . . . . . . . . 6475 1 1097 . 1 1 93 93 LEU CB C 13 43.770 0.1 . 1 . . . . . . . . 6475 1 1098 . 1 1 93 93 LEU CG C 13 25.277 0.1 . 1 . . . . . . . . 6475 1 1099 . 1 1 93 93 LEU CD1 C 13 23.114 0.1 . 1 . . . . . . . . 6475 1 1100 . 1 1 93 93 LEU CD2 C 13 25.282 0.1 . 1 . . . . . . . . 6475 1 1101 . 1 1 93 93 LEU N N 15 126.598 0.1 . 1 . . . . . . . . 6475 1 1102 . 1 1 94 94 SER H H 1 7.964 0.02 . 1 . . . . . . . . 6475 1 1103 . 1 1 94 94 SER HA H 1 4.637 0.02 . 1 . . . . . . . . 6475 1 1104 . 1 1 94 94 SER HB2 H 1 3.865 0.02 . 1 . . . . . . . . 6475 1 1105 . 1 1 94 94 SER HB3 H 1 3.865 0.02 . 1 . . . . . . . . 6475 1 1106 . 1 1 94 94 SER C C 13 175.404 0.1 . 1 . . . . . . . . 6475 1 1107 . 1 1 94 94 SER CA C 13 56.461 0.1 . 1 . . . . . . . . 6475 1 1108 . 1 1 94 94 SER CB C 13 63.446 0.1 . 1 . . . . . . . . 6475 1 1109 . 1 1 94 94 SER N N 15 114.473 0.1 . 1 . . . . . . . . 6475 1 1110 . 1 1 95 95 ALA H H 1 8.270 0.02 . 1 . . . . . . . . 6475 1 1111 . 1 1 95 95 ALA HA H 1 3.762 0.02 . 1 . . . . . . . . 6475 1 1112 . 1 1 95 95 ALA HB1 H 1 1.146 0.02 . 1 . . . . . . . . 6475 1 1113 . 1 1 95 95 ALA HB2 H 1 1.146 0.02 . 1 . . . . . . . . 6475 1 1114 . 1 1 95 95 ALA HB3 H 1 1.146 0.02 . 1 . . . . . . . . 6475 1 1115 . 1 1 95 95 ALA C C 13 177.487 0.1 . 1 . . . . . . . . 6475 1 1116 . 1 1 95 95 ALA CA C 13 53.593 0.1 . 1 . . . . . . . . 6475 1 1117 . 1 1 95 95 ALA CB C 13 17.879 0.1 . 1 . . . . . . . . 6475 1 1118 . 1 1 95 95 ALA N N 15 126.897 0.1 . 1 . . . . . . . . 6475 1 1119 . 1 1 96 96 GLY H H 1 8.289 0.02 . 1 . . . . . . . . 6475 1 1120 . 1 1 96 96 GLY HA2 H 1 4.347 0.02 . 2 . . . . . . . . 6475 1 1121 . 1 1 96 96 GLY HA3 H 1 3.655 0.02 . 2 . . . . . . . . 6475 1 1122 . 1 1 96 96 GLY C C 13 172.404 0.1 . 1 . . . . . . . . 6475 1 1123 . 1 1 96 96 GLY CA C 13 43.570 0.1 . 1 . . . . . . . . 6475 1 1124 . 1 1 96 96 GLY N N 15 111.803 0.1 . 1 . . . . . . . . 6475 1 1125 . 1 1 97 97 ASN H H 1 8.238 0.02 . 1 . . . . . . . . 6475 1 1126 . 1 1 97 97 ASN HA H 1 5.170 0.02 . 1 . . . . . . . . 6475 1 1127 . 1 1 97 97 ASN HB2 H 1 2.248 0.02 . 2 . . . . . . . . 6475 1 1128 . 1 1 97 97 ASN HB3 H 1 2.360 0.02 . 2 . . . . . . . . 6475 1 1129 . 1 1 97 97 ASN HD21 H 1 6.059 0.02 . 2 . . . . . . . . 6475 1 1130 . 1 1 97 97 ASN HD22 H 1 7.353 0.02 . 2 . . . . . . . . 6475 1 1131 . 1 1 97 97 ASN C C 13 175.620 0.1 . 1 . . . . . . . . 6475 1 1132 . 1 1 97 97 ASN CA C 13 53.900 0.1 . 1 . . . . . . . . 6475 1 1133 . 1 1 97 97 ASN CB C 13 40.926 0.1 . 1 . . . . . . . . 6475 1 1134 . 1 1 97 97 ASN N N 15 120.440 0.1 . 1 . . . . . . . . 6475 1 1135 . 1 1 97 97 ASN ND2 N 15 110.731 0.1 . 1 . . . . . . . . 6475 1 1136 . 1 1 98 98 HIS H H 1 8.997 0.02 . 1 . . . . . . . . 6475 1 1137 . 1 1 98 98 HIS HA H 1 4.672 0.02 . 1 . . . . . . . . 6475 1 1138 . 1 1 98 98 HIS HB2 H 1 2.457 0.02 . 2 . . . . . . . . 6475 1 1139 . 1 1 98 98 HIS HB3 H 1 2.695 0.02 . 2 . . . . . . . . 6475 1 1140 . 1 1 98 98 HIS HD2 H 1 7.050 0.02 . 1 . . . . . . . . 6475 1 1141 . 1 1 98 98 HIS HE1 H 1 8.710 0.02 . 1 . . . . . . . . 6475 1 1142 . 1 1 98 98 HIS C C 13 172.379 0.1 . 1 . . . . . . . . 6475 1 1143 . 1 1 98 98 HIS CA C 13 54.413 0.1 . 1 . . . . . . . . 6475 1 1144 . 1 1 98 98 HIS CB C 13 33.685 0.1 . 1 . . . . . . . . 6475 1 1145 . 1 1 98 98 HIS CD2 C 13 120.500 0.1 . 1 . . . . . . . . 6475 1 1146 . 1 1 98 98 HIS CE1 C 13 136.626 0.1 . 1 . . . . . . . . 6475 1 1147 . 1 1 98 98 HIS N N 15 121.964 0.1 . 1 . . . . . . . . 6475 1 1148 . 1 1 99 99 SER H H 1 8.619 0.02 . 1 . . . . . . . . 6475 1 1149 . 1 1 99 99 SER HA H 1 5.748 0.02 . 1 . . . . . . . . 6475 1 1150 . 1 1 99 99 SER HB2 H 1 3.257 0.02 . 2 . . . . . . . . 6475 1 1151 . 1 1 99 99 SER HB3 H 1 3.476 0.02 . 2 . . . . . . . . 6475 1 1152 . 1 1 99 99 SER C C 13 174.096 0.1 . 1 . . . . . . . . 6475 1 1153 . 1 1 99 99 SER CA C 13 56.465 0.1 . 1 . . . . . . . . 6475 1 1154 . 1 1 99 99 SER CB C 13 65.257 0.1 . 1 . . . . . . . . 6475 1 1155 . 1 1 99 99 SER N N 15 116.169 0.1 . 1 . . . . . . . . 6475 1 1156 . 1 1 100 100 PHE H H 1 8.872 0.02 . 1 . . . . . . . . 6475 1 1157 . 1 1 100 100 PHE HA H 1 5.380 0.02 . 1 . . . . . . . . 6475 1 1158 . 1 1 100 100 PHE HB2 H 1 2.879 0.02 . 2 . . . . . . . . 6475 1 1159 . 1 1 100 100 PHE HB3 H 1 3.147 0.02 . 2 . . . . . . . . 6475 1 1160 . 1 1 100 100 PHE HD1 H 1 7.416 0.02 . 1 . . . . . . . . 6475 1 1161 . 1 1 100 100 PHE HD2 H 1 7.416 0.02 . 1 . . . . . . . . 6475 1 1162 . 1 1 100 100 PHE HE1 H 1 6.950 0.02 . 1 . . . . . . . . 6475 1 1163 . 1 1 100 100 PHE HZ H 1 6.785 0.02 . 1 . . . . . . . . 6475 1 1164 . 1 1 100 100 PHE C C 13 174.808 0.1 . 1 . . . . . . . . 6475 1 1165 . 1 1 100 100 PHE CA C 13 55.583 0.1 . 1 . . . . . . . . 6475 1 1166 . 1 1 100 100 PHE CB C 13 45.848 0.1 . 1 . . . . . . . . 6475 1 1167 . 1 1 100 100 PHE CD1 C 13 133.035 0.1 . 1 . . . . . . . . 6475 1 1168 . 1 1 100 100 PHE CD2 C 13 133.035 0.1 . 1 . . . . . . . . 6475 1 1169 . 1 1 100 100 PHE CE1 C 13 130.965 0.1 . 1 . . . . . . . . 6475 1 1170 . 1 1 100 100 PHE CE2 C 13 130.965 0.1 . 1 . . . . . . . . 6475 1 1171 . 1 1 100 100 PHE CZ C 13 128.135 0.1 . 1 . . . . . . . . 6475 1 1172 . 1 1 100 100 PHE N N 15 119.041 0.1 . 1 . . . . . . . . 6475 1 1173 . 1 1 101 101 GLY H H 1 9.456 0.02 . 1 . . . . . . . . 6475 1 1174 . 1 1 101 101 GLY HA2 H 1 3.892 0.02 . 2 . . . . . . . . 6475 1 1175 . 1 1 101 101 GLY HA3 H 1 5.579 0.02 . 2 . . . . . . . . 6475 1 1176 . 1 1 101 101 GLY C C 13 181.604 0.1 . 1 . . . . . . . . 6475 1 1177 . 1 1 101 101 GLY CA C 13 46.032 0.1 . 1 . . . . . . . . 6475 1 1178 . 1 1 101 101 GLY N N 15 108.067 0.1 . 1 . . . . . . . . 6475 1 1179 . 1 1 102 102 VAL H H 1 8.386 0.02 . 1 . . . . . . . . 6475 1 1180 . 1 1 102 102 VAL HA H 1 5.051 0.02 . 1 . . . . . . . . 6475 1 1181 . 1 1 102 102 VAL HB H 1 1.536 0.02 . 1 . . . . . . . . 6475 1 1182 . 1 1 102 102 VAL HG11 H 1 0.545 0.02 . 1 . . . . . . . . 6475 1 1183 . 1 1 102 102 VAL HG12 H 1 0.545 0.02 . 1 . . . . . . . . 6475 1 1184 . 1 1 102 102 VAL HG13 H 1 0.545 0.02 . 1 . . . . . . . . 6475 1 1185 . 1 1 102 102 VAL HG21 H 1 0.780 0.02 . 1 . . . . . . . . 6475 1 1186 . 1 1 102 102 VAL HG22 H 1 0.780 0.02 . 1 . . . . . . . . 6475 1 1187 . 1 1 102 102 VAL HG23 H 1 0.780 0.02 . 1 . . . . . . . . 6475 1 1188 . 1 1 102 102 VAL C C 13 172.940 0.1 . 1 . . . . . . . . 6475 1 1189 . 1 1 102 102 VAL CA C 13 60.331 0.1 . 1 . . . . . . . . 6475 1 1190 . 1 1 102 102 VAL CB C 13 36.003 0.1 . 1 . . . . . . . . 6475 1 1191 . 1 1 102 102 VAL CG1 C 13 22.261 0.1 . 1 . . . . . . . . 6475 1 1192 . 1 1 102 102 VAL CG2 C 13 22.261 0.1 . 1 . . . . . . . . 6475 1 1193 . 1 1 102 102 VAL N N 15 119.847 0.1 . 1 . . . . . . . . 6475 1 1194 . 1 1 103 103 ARG H H 1 9.363 0.02 . 1 . . . . . . . . 6475 1 1195 . 1 1 103 103 ARG HA H 1 4.954 0.02 . 1 . . . . . . . . 6475 1 1196 . 1 1 103 103 ARG HB2 H 1 1.412 0.02 . 2 . . . . . . . . 6475 1 1197 . 1 1 103 103 ARG HB3 H 1 1.702 0.02 . 2 . . . . . . . . 6475 1 1198 . 1 1 103 103 ARG HG2 H 1 1.236 0.02 . 1 . . . . . . . . 6475 1 1199 . 1 1 103 103 ARG HG3 H 1 1.236 0.02 . 1 . . . . . . . . 6475 1 1200 . 1 1 103 103 ARG HD2 H 1 2.914 0.02 . 1 . . . . . . . . 6475 1 1201 . 1 1 103 103 ARG HD3 H 1 2.914 0.02 . 1 . . . . . . . . 6475 1 1202 . 1 1 103 103 ARG C C 13 172.485 0.1 . 1 . . . . . . . . 6475 1 1203 . 1 1 103 103 ARG CA C 13 53.596 0.1 . 1 . . . . . . . . 6475 1 1204 . 1 1 103 103 ARG CB C 13 34.843 0.1 . 1 . . . . . . . . 6475 1 1205 . 1 1 103 103 ARG CG C 13 26.515 0.1 . 1 . . . . . . . . 6475 1 1206 . 1 1 103 103 ARG CD C 13 43.322 0.1 . 1 . . . . . . . . 6475 1 1207 . 1 1 103 103 ARG N N 15 123.840 0.1 . 1 . . . . . . . . 6475 1 1208 . 1 1 104 104 VAL H H 1 8.252 0.02 . 1 . . . . . . . . 6475 1 1209 . 1 1 104 104 VAL HA H 1 4.711 0.02 . 1 . . . . . . . . 6475 1 1210 . 1 1 104 104 VAL HB H 1 2.133 0.02 . 1 . . . . . . . . 6475 1 1211 . 1 1 104 104 VAL HG11 H 1 0.755 0.02 . 1 . . . . . . . . 6475 1 1212 . 1 1 104 104 VAL HG12 H 1 0.755 0.02 . 1 . . . . . . . . 6475 1 1213 . 1 1 104 104 VAL HG13 H 1 0.755 0.02 . 1 . . . . . . . . 6475 1 1214 . 1 1 104 104 VAL HG21 H 1 0.887 0.02 . 1 . . . . . . . . 6475 1 1215 . 1 1 104 104 VAL HG22 H 1 0.887 0.02 . 1 . . . . . . . . 6475 1 1216 . 1 1 104 104 VAL HG23 H 1 0.887 0.02 . 1 . . . . . . . . 6475 1 1217 . 1 1 104 104 VAL C C 13 177.701 0.1 . 1 . . . . . . . . 6475 1 1218 . 1 1 104 104 VAL CA C 13 60.154 0.1 . 1 . . . . . . . . 6475 1 1219 . 1 1 104 104 VAL CB C 13 31.852 0.1 . 1 . . . . . . . . 6475 1 1220 . 1 1 104 104 VAL CG1 C 13 22.036 0.1 . 1 . . . . . . . . 6475 1 1221 . 1 1 104 104 VAL CG2 C 13 20.683 0.1 . 1 . . . . . . . . 6475 1 1222 . 1 1 104 104 VAL N N 15 120.821 0.1 . 1 . . . . . . . . 6475 1 1223 . 1 1 105 105 GLY H H 1 10.746 0.02 . 1 . . . . . . . . 6475 1 1224 . 1 1 105 105 GLY HA2 H 1 3.830 0.02 . 2 . . . . . . . . 6475 1 1225 . 1 1 105 105 GLY HA3 H 1 4.340 0.02 . 2 . . . . . . . . 6475 1 1226 . 1 1 105 105 GLY C C 13 174.995 0.1 . 1 . . . . . . . . 6475 1 1227 . 1 1 105 105 GLY CA C 13 44.041 0.1 . 1 . . . . . . . . 6475 1 1228 . 1 1 105 105 GLY N N 15 119.276 0.1 . 1 . . . . . . . . 6475 1 1229 . 1 1 106 106 SER H H 1 8.527 0.02 . 1 . . . . . . . . 6475 1 1230 . 1 1 106 106 SER HA H 1 3.976 0.02 . 1 . . . . . . . . 6475 1 1231 . 1 1 106 106 SER HB2 H 1 3.841 0.02 . 1 . . . . . . . . 6475 1 1232 . 1 1 106 106 SER HB3 H 1 3.841 0.02 . 1 . . . . . . . . 6475 1 1233 . 1 1 106 106 SER C C 13 175.771 0.1 . 1 . . . . . . . . 6475 1 1234 . 1 1 106 106 SER CA C 13 61.800 0.1 . 1 . . . . . . . . 6475 1 1235 . 1 1 106 106 SER CB C 13 62.677 0.1 . 1 . . . . . . . . 6475 1 1236 . 1 1 106 106 SER N N 15 113.671 0.1 . 1 . . . . . . . . 6475 1 1237 . 1 1 107 107 SER H H 1 8.353 0.02 . 1 . . . . . . . . 6475 1 1238 . 1 1 107 107 SER HA H 1 4.680 0.02 . 1 . . . . . . . . 6475 1 1239 . 1 1 107 107 SER HB2 H 1 3.804 0.02 . 2 . . . . . . . . 6475 1 1240 . 1 1 107 107 SER HB3 H 1 3.952 0.02 . 2 . . . . . . . . 6475 1 1241 . 1 1 107 107 SER C C 13 174.102 0.1 . 1 . . . . . . . . 6475 1 1242 . 1 1 107 107 SER CA C 13 57.521 0.1 . 1 . . . . . . . . 6475 1 1243 . 1 1 107 107 SER CB C 13 63.449 0.1 . 1 . . . . . . . . 6475 1 1244 . 1 1 107 107 SER N N 15 114.197 0.1 . 1 . . . . . . . . 6475 1 1245 . 1 1 108 108 ASP H H 1 7.111 0.02 . 1 . . . . . . . . 6475 1 1246 . 1 1 108 108 ASP HA H 1 4.708 0.02 . 1 . . . . . . . . 6475 1 1247 . 1 1 108 108 ASP HB2 H 1 3.048 0.02 . 2 . . . . . . . . 6475 1 1248 . 1 1 108 108 ASP HB3 H 1 3.978 0.02 . 2 . . . . . . . . 6475 1 1249 . 1 1 108 108 ASP C C 13 176.541 0.1 . 1 . . . . . . . . 6475 1 1250 . 1 1 108 108 ASP CA C 13 54.352 0.1 . 1 . . . . . . . . 6475 1 1251 . 1 1 108 108 ASP CB C 13 41.700 0.1 . 1 . . . . . . . . 6475 1 1252 . 1 1 108 108 ASP N N 15 123.317 0.1 . 1 . . . . . . . . 6475 1 1253 . 1 1 109 109 TRP H H 1 9.271 0.02 . 1 . . . . . . . . 6475 1 1254 . 1 1 109 109 TRP HA H 1 4.772 0.02 . 1 . . . . . . . . 6475 1 1255 . 1 1 109 109 TRP HB2 H 1 3.045 0.02 . 2 . . . . . . . . 6475 1 1256 . 1 1 109 109 TRP HB3 H 1 3.676 0.02 . 2 . . . . . . . . 6475 1 1257 . 1 1 109 109 TRP HD1 H 1 7.288 0.02 . 1 . . . . . . . . 6475 1 1258 . 1 1 109 109 TRP HE1 H 1 10.397 0.02 . 1 . . . . . . . . 6475 1 1259 . 1 1 109 109 TRP HE3 H 1 7.834 0.02 . 1 . . . . . . . . 6475 1 1260 . 1 1 109 109 TRP HZ2 H 1 7.461 0.02 . 1 . . . . . . . . 6475 1 1261 . 1 1 109 109 TRP HZ3 H 1 7.136 0.02 . 1 . . . . . . . . 6475 1 1262 . 1 1 109 109 TRP HH2 H 1 7.184 0.02 . 1 . . . . . . . . 6475 1 1263 . 1 1 109 109 TRP C C 13 178.428 0.1 . 1 . . . . . . . . 6475 1 1264 . 1 1 109 109 TRP CA C 13 57.054 0.1 . 1 . . . . . . . . 6475 1 1265 . 1 1 109 109 TRP CB C 13 31.072 0.1 . 1 . . . . . . . . 6475 1 1266 . 1 1 109 109 TRP CD1 C 13 125.789 0.1 . 1 . . . . . . . . 6475 1 1267 . 1 1 109 109 TRP CE3 C 13 120.597 0.1 . 1 . . . . . . . . 6475 1 1268 . 1 1 109 109 TRP CZ2 C 13 115.260 0.1 . 1 . . . . . . . . 6475 1 1269 . 1 1 109 109 TRP CZ3 C 13 122.651 0.1 . 1 . . . . . . . . 6475 1 1270 . 1 1 109 109 TRP CH2 C 13 125.385 0.1 . 1 . . . . . . . . 6475 1 1271 . 1 1 109 109 TRP N N 15 119.216 0.1 . 1 . . . . . . . . 6475 1 1272 . 1 1 109 109 TRP NE1 N 15 131.051 0.1 . 1 . . . . . . . . 6475 1 1273 . 1 1 110 110 GLY H H 1 9.234 0.02 . 1 . . . . . . . . 6475 1 1274 . 1 1 110 110 GLY HA2 H 1 3.739 0.02 . 2 . . . . . . . . 6475 1 1275 . 1 1 110 110 GLY HA3 H 1 4.252 0.02 . 2 . . . . . . . . 6475 1 1276 . 1 1 110 110 GLY C C 13 174.056 0.02 . 1 . . . . . . . . 6475 1 1277 . 1 1 110 110 GLY CA C 13 45.867 0.02 . 1 . . . . . . . . 6475 1 1278 . 1 1 110 110 GLY N N 15 111.685 0.02 . 1 . . . . . . . . 6475 1 1279 . 1 1 111 111 TYR H H 1 7.469 0.02 . 1 . . . . . . . . 6475 1 1280 . 1 1 111 111 TYR HA H 1 4.173 0.02 . 1 . . . . . . . . 6475 1 1281 . 1 1 111 111 TYR HB2 H 1 2.561 0.02 . 2 . . . . . . . . 6475 1 1282 . 1 1 111 111 TYR HB3 H 1 2.976 0.02 . 2 . . . . . . . . 6475 1 1283 . 1 1 111 111 TYR HD1 H 1 7.189 0.02 . 1 . . . . . . . . 6475 1 1284 . 1 1 111 111 TYR HE1 H 1 6.678 0.02 . 1 . . . . . . . . 6475 1 1285 . 1 1 111 111 TYR C C 13 173.567 0.1 . 1 . . . . . . . . 6475 1 1286 . 1 1 111 111 TYR CA C 13 60.446 0.1 . 1 . . . . . . . . 6475 1 1287 . 1 1 111 111 TYR CB C 13 38.316 0.1 . 1 . . . . . . . . 6475 1 1288 . 1 1 111 111 TYR CD1 C 13 134.040 0.1 . 1 . . . . . . . . 6475 1 1289 . 1 1 111 111 TYR CD2 C 13 134.040 0.1 . 1 . . . . . . . . 6475 1 1290 . 1 1 111 111 TYR CE1 C 13 117.630 0.1 . 1 . . . . . . . . 6475 1 1291 . 1 1 111 111 TYR CE2 C 13 117.630 0.1 . 1 . . . . . . . . 6475 1 1292 . 1 1 111 111 TYR N N 15 112.919 0.1 . 1 . . . . . . . . 6475 1 1293 . 1 1 112 112 MET H H 1 6.944 0.02 . 1 . . . . . . . . 6475 1 1294 . 1 1 112 112 MET HA H 1 4.641 0.02 . 1 . . . . . . . . 6475 1 1295 . 1 1 112 112 MET HB2 H 1 2.195 0.02 . 2 . . . . . . . . 6475 1 1296 . 1 1 112 112 MET HB3 H 1 2.756 0.02 . 2 . . . . . . . . 6475 1 1297 . 1 1 112 112 MET HG2 H 1 1.933 0.02 . 2 . . . . . . . . 6475 1 1298 . 1 1 112 112 MET HG3 H 1 1.594 0.02 . 2 . . . . . . . . 6475 1 1299 . 1 1 112 112 MET HE1 H 1 1.024 0.02 . 1 . . . . . . . . 6475 1 1300 . 1 1 112 112 MET HE2 H 1 1.024 0.02 . 1 . . . . . . . . 6475 1 1301 . 1 1 112 112 MET HE3 H 1 1.024 0.02 . 1 . . . . . . . . 6475 1 1302 . 1 1 112 112 MET C C 13 172.293 0.1 . 1 . . . . . . . . 6475 1 1303 . 1 1 112 112 MET CA C 13 55.526 0.1 . 1 . . . . . . . . 6475 1 1304 . 1 1 112 112 MET CB C 13 32.906 0.1 . 1 . . . . . . . . 6475 1 1305 . 1 1 112 112 MET CG C 13 31.421 0.1 . 1 . . . . . . . . 6475 1 1306 . 1 1 112 112 MET CE C 13 16.925 0.1 . 1 . . . . . . . . 6475 1 1307 . 1 1 112 112 MET N N 15 110.457 0.1 . 1 . . . . . . . . 6475 1 1308 . 1 1 113 113 ASN H H 1 8.853 0.02 . 1 . . . . . . . . 6475 1 1309 . 1 1 113 113 ASN HA H 1 5.768 0.02 . 1 . . . . . . . . 6475 1 1310 . 1 1 113 113 ASN HB2 H 1 2.059 0.02 . 2 . . . . . . . . 6475 1 1311 . 1 1 113 113 ASN HB3 H 1 3.189 0.02 . 2 . . . . . . . . 6475 1 1312 . 1 1 113 113 ASN HD21 H 1 6.496 0.02 . 1 . . . . . . . . 6475 1 1313 . 1 1 113 113 ASN HD22 H 1 6.856 0.02 . 1 . . . . . . . . 6475 1 1314 . 1 1 113 113 ASN C C 13 174.764 0.1 . 1 . . . . . . . . 6475 1 1315 . 1 1 113 113 ASN CA C 13 52.361 0.1 . 1 . . . . . . . . 6475 1 1316 . 1 1 113 113 ASN CB C 13 41.680 0.1 . 1 . . . . . . . . 6475 1 1317 . 1 1 113 113 ASN N N 15 115.901 0.1 . 1 . . . . . . . . 6475 1 1318 . 1 1 113 113 ASN ND2 N 15 108.926 0.1 . 1 . . . . . . . . 6475 1 1319 . 1 1 114 114 VAL H H 1 9.507 0.02 . 1 . . . . . . . . 6475 1 1320 . 1 1 114 114 VAL HA H 1 4.502 0.02 . 1 . . . . . . . . 6475 1 1321 . 1 1 114 114 VAL HB H 1 1.973 0.02 . 1 . . . . . . . . 6475 1 1322 . 1 1 114 114 VAL HG11 H 1 0.779 0.02 . 1 . . . . . . . . 6475 1 1323 . 1 1 114 114 VAL HG12 H 1 0.779 0.02 . 1 . . . . . . . . 6475 1 1324 . 1 1 114 114 VAL HG13 H 1 0.779 0.02 . 1 . . . . . . . . 6475 1 1325 . 1 1 114 114 VAL HG21 H 1 1.120 0.02 . 1 . . . . . . . . 6475 1 1326 . 1 1 114 114 VAL HG22 H 1 1.120 0.02 . 1 . . . . . . . . 6475 1 1327 . 1 1 114 114 VAL HG23 H 1 1.120 0.02 . 1 . . . . . . . . 6475 1 1328 . 1 1 114 114 VAL C C 13 174.602 0.1 . 1 . . . . . . . . 6475 1 1329 . 1 1 114 114 VAL CA C 13 62.325 0.1 . 1 . . . . . . . . 6475 1 1330 . 1 1 114 114 VAL CB C 13 33.255 0.1 . 1 . . . . . . . . 6475 1 1331 . 1 1 114 114 VAL CG1 C 13 20.954 0.1 . 1 . . . . . . . . 6475 1 1332 . 1 1 114 114 VAL CG2 C 13 23.095 0.1 . 1 . . . . . . . . 6475 1 1333 . 1 1 114 114 VAL N N 15 121.238 0.1 . 1 . . . . . . . . 6475 1 1334 . 1 1 115 115 HIS H H 1 9.549 0.02 . 1 . . . . . . . . 6475 1 1335 . 1 1 115 115 HIS HA H 1 4.700 0.02 . 1 . . . . . . . . 6475 1 1336 . 1 1 115 115 HIS HB2 H 1 2.890 0.02 . 2 . . . . . . . . 6475 1 1337 . 1 1 115 115 HIS HB3 H 1 3.181 0.02 . 2 . . . . . . . . 6475 1 1338 . 1 1 115 115 HIS HE1 H 1 7.853 0.02 . 1 . . . . . . . . 6475 1 1339 . 1 1 115 115 HIS C C 13 175.555 0.1 . 1 . . . . . . . . 6475 1 1340 . 1 1 115 115 HIS CA C 13 59.218 0.1 . 1 . . . . . . . . 6475 1 1341 . 1 1 115 115 HIS CB C 13 30.593 0.1 . 1 . . . . . . . . 6475 1 1342 . 1 1 115 115 HIS CE1 C 13 144.002 0.1 . 1 . . . . . . . . 6475 1 1343 . 1 1 115 115 HIS N N 15 125.470 0.1 . 1 . . . . . . . . 6475 1 1344 . 1 1 116 116 SER H H 1 7.763 0.02 . 1 . . . . . . . . 6475 1 1345 . 1 1 116 116 SER HA H 1 5.159 0.02 . 1 . . . . . . . . 6475 1 1346 . 1 1 116 116 SER HB2 H 1 3.689 0.02 . 2 . . . . . . . . 6475 1 1347 . 1 1 116 116 SER HB3 H 1 3.893 0.02 . 2 . . . . . . . . 6475 1 1348 . 1 1 116 116 SER C C 13 169.981 0.1 . 1 . . . . . . . . 6475 1 1349 . 1 1 116 116 SER CA C 13 57.984 0.1 . 1 . . . . . . . . 6475 1 1350 . 1 1 116 116 SER CB C 13 65.079 0.1 . 1 . . . . . . . . 6475 1 1351 . 1 1 116 116 SER N N 15 108.594 0.1 . 1 . . . . . . . . 6475 1 1352 . 1 1 117 117 LEU H H 1 8.524 0.02 . 1 . . . . . . . . 6475 1 1353 . 1 1 117 117 LEU HA H 1 4.812 0.02 . 1 . . . . . . . . 6475 1 1354 . 1 1 117 117 LEU HB2 H 1 -0.576 0.02 . 2 . . . . . . . . 6475 1 1355 . 1 1 117 117 LEU HB3 H 1 0.268 0.02 . 2 . . . . . . . . 6475 1 1356 . 1 1 117 117 LEU HG H 1 0.215 0.02 . 1 . . . . . . . . 6475 1 1357 . 1 1 117 117 LEU HD11 H 1 0.315 0.02 . 1 . . . . . . . . 6475 1 1358 . 1 1 117 117 LEU HD12 H 1 0.315 0.02 . 1 . . . . . . . . 6475 1 1359 . 1 1 117 117 LEU HD13 H 1 0.315 0.02 . 1 . . . . . . . . 6475 1 1360 . 1 1 117 117 LEU HD21 H 1 0.315 0.02 . 1 . . . . . . . . 6475 1 1361 . 1 1 117 117 LEU HD22 H 1 0.315 0.02 . 1 . . . . . . . . 6475 1 1362 . 1 1 117 117 LEU HD23 H 1 0.315 0.02 . 1 . . . . . . . . 6475 1 1363 . 1 1 117 117 LEU C C 13 173.663 0.1 . 1 . . . . . . . . 6475 1 1364 . 1 1 117 117 LEU CA C 13 52.248 0.1 . 1 . . . . . . . . 6475 1 1365 . 1 1 117 117 LEU CB C 13 43.783 0.1 . 1 . . . . . . . . 6475 1 1366 . 1 1 117 117 LEU CG C 13 26.512 0.1 . 1 . . . . . . . . 6475 1 1367 . 1 1 117 117 LEU CD1 C 13 22.305 0.1 . 1 . . . . . . . . 6475 1 1368 . 1 1 117 117 LEU CD2 C 13 22.305 0.1 . 1 . . . . . . . . 6475 1 1369 . 1 1 117 117 LEU N N 15 123.345 0.1 . 1 . . . . . . . . 6475 1 1370 . 1 1 118 118 LYS H H 1 9.036 0.02 . 1 . . . . . . . . 6475 1 1371 . 1 1 118 118 LYS HA H 1 5.627 0.02 . 1 . . . . . . . . 6475 1 1372 . 1 1 118 118 LYS HB2 H 1 1.525 0.02 . 2 . . . . . . . . 6475 1 1373 . 1 1 118 118 LYS HB3 H 1 1.681 0.02 . 2 . . . . . . . . 6475 1 1374 . 1 1 118 118 LYS HG2 H 1 0.743 0.02 . 2 . . . . . . . . 6475 1 1375 . 1 1 118 118 LYS HG3 H 1 1.387 0.02 . 2 . . . . . . . . 6475 1 1376 . 1 1 118 118 LYS HD2 H 1 1.329 0.02 . 2 . . . . . . . . 6475 1 1377 . 1 1 118 118 LYS HD3 H 1 1.373 0.02 . 2 . . . . . . . . 6475 1 1378 . 1 1 118 118 LYS HE2 H 1 2.526 0.02 . 2 . . . . . . . . 6475 1 1379 . 1 1 118 118 LYS HE3 H 1 2.600 0.02 . 2 . . . . . . . . 6475 1 1380 . 1 1 118 118 LYS C C 13 175.728 0.1 . 1 . . . . . . . . 6475 1 1381 . 1 1 118 118 LYS CA C 13 54.039 0.1 . 1 . . . . . . . . 6475 1 1382 . 1 1 118 118 LYS CB C 13 35.756 0.1 . 1 . . . . . . . . 6475 1 1383 . 1 1 118 118 LYS CG C 13 25.069 0.1 . 1 . . . . . . . . 6475 1 1384 . 1 1 118 118 LYS CD C 13 29.051 0.1 . 1 . . . . . . . . 6475 1 1385 . 1 1 118 118 LYS CE C 13 41.454 0.1 . 1 . . . . . . . . 6475 1 1386 . 1 1 118 118 LYS N N 15 127.079 0.1 . 1 . . . . . . . . 6475 1 1387 . 1 1 119 119 LEU H H 1 9.297 0.02 . 1 . . . . . . . . 6475 1 1388 . 1 1 119 119 LEU HA H 1 5.380 0.02 . 1 . . . . . . . . 6475 1 1389 . 1 1 119 119 LEU HB2 H 1 1.572 0.02 . 2 . . . . . . . . 6475 1 1390 . 1 1 119 119 LEU HB3 H 1 1.913 0.02 . 2 . . . . . . . . 6475 1 1391 . 1 1 119 119 LEU HG H 1 1.353 0.02 . 1 . . . . . . . . 6475 1 1392 . 1 1 119 119 LEU HD11 H 1 0.278 0.02 . 1 . . . . . . . . 6475 1 1393 . 1 1 119 119 LEU HD12 H 1 0.278 0.02 . 1 . . . . . . . . 6475 1 1394 . 1 1 119 119 LEU HD13 H 1 0.278 0.02 . 1 . . . . . . . . 6475 1 1395 . 1 1 119 119 LEU HD21 H 1 0.496 0.02 . 1 . . . . . . . . 6475 1 1396 . 1 1 119 119 LEU HD22 H 1 0.496 0.02 . 1 . . . . . . . . 6475 1 1397 . 1 1 119 119 LEU HD23 H 1 0.496 0.02 . 1 . . . . . . . . 6475 1 1398 . 1 1 119 119 LEU C C 13 175.749 0.1 . 1 . . . . . . . . 6475 1 1399 . 1 1 119 119 LEU CA C 13 53.657 0.1 . 1 . . . . . . . . 6475 1 1400 . 1 1 119 119 LEU CB C 13 45.572 0.1 . 1 . . . . . . . . 6475 1 1401 . 1 1 119 119 LEU CG C 13 28.514 0.1 . 1 . . . . . . . . 6475 1 1402 . 1 1 119 119 LEU CD1 C 13 25.283 0.1 . 1 . . . . . . . . 6475 1 1403 . 1 1 119 119 LEU CD2 C 13 25.283 0.1 . 1 . . . . . . . . 6475 1 1404 . 1 1 119 119 LEU N N 15 129.826 0.1 . 1 . . . . . . . . 6475 1 1405 . 1 1 120 120 GLU H H 1 8.988 0.02 . 1 . . . . . . . . 6475 1 1406 . 1 1 120 120 GLU HA H 1 4.955 0.02 . 1 . . . . . . . . 6475 1 1407 . 1 1 120 120 GLU HB2 H 1 1.919 0.02 . 1 . . . . . . . . 6475 1 1408 . 1 1 120 120 GLU HB3 H 1 1.919 0.02 . 1 . . . . . . . . 6475 1 1409 . 1 1 120 120 GLU HG2 H 1 1.798 0.02 . 1 . . . . . . . . 6475 1 1410 . 1 1 120 120 GLU HG3 H 1 1.798 0.02 . 1 . . . . . . . . 6475 1 1411 . 1 1 120 120 GLU C C 13 174.800 0.1 . 1 . . . . . . . . 6475 1 1412 . 1 1 120 120 GLU CA C 13 54.236 0.1 . 1 . . . . . . . . 6475 1 1413 . 1 1 120 120 GLU CB C 13 33.124 0.1 . 1 . . . . . . . . 6475 1 1414 . 1 1 120 120 GLU CG C 13 36.864 0.1 . 1 . . . . . . . . 6475 1 1415 . 1 1 120 120 GLU N N 15 120.482 0.1 . 1 . . . . . . . . 6475 1 1416 . 1 1 121 121 LEU H H 1 8.572 0.02 . 1 . . . . . . . . 6475 1 1417 . 1 1 121 121 LEU HA H 1 3.807 0.02 . 1 . . . . . . . . 6475 1 1418 . 1 1 121 121 LEU HB2 H 1 1.329 0.02 . 2 . . . . . . . . 6475 1 1419 . 1 1 121 121 LEU HB3 H 1 1.756 0.02 . 2 . . . . . . . . 6475 1 1420 . 1 1 121 121 LEU HG H 1 0.804 0.02 . 1 . . . . . . . . 6475 1 1421 . 1 1 121 121 LEU HD11 H 1 0.252 0.02 . 1 . . . . . . . . 6475 1 1422 . 1 1 121 121 LEU HD12 H 1 0.252 0.02 . 1 . . . . . . . . 6475 1 1423 . 1 1 121 121 LEU HD13 H 1 0.252 0.02 . 1 . . . . . . . . 6475 1 1424 . 1 1 121 121 LEU HD21 H 1 0.252 0.02 . 1 . . . . . . . . 6475 1 1425 . 1 1 121 121 LEU HD22 H 1 0.252 0.02 . 1 . . . . . . . . 6475 1 1426 . 1 1 121 121 LEU HD23 H 1 0.252 0.02 . 1 . . . . . . . . 6475 1 1427 . 1 1 121 121 LEU C C 13 176.026 0.1 . 1 . . . . . . . . 6475 1 1428 . 1 1 121 121 LEU CA C 13 54.776 0.1 . 1 . . . . . . . . 6475 1 1429 . 1 1 121 121 LEU CB C 13 42.228 0.1 . 1 . . . . . . . . 6475 1 1430 . 1 1 121 121 LEU CG C 13 26.361 0.1 . 1 . . . . . . . . 6475 1 1431 . 1 1 121 121 LEU CD1 C 13 20.670 0.1 . 1 . . . . . . . . 6475 1 1432 . 1 1 121 121 LEU CD2 C 13 20.670 0.1 . 1 . . . . . . . . 6475 1 1433 . 1 1 121 121 LEU N N 15 126.972 0.1 . 1 . . . . . . . . 6475 1 1434 . 1 1 122 122 LEU H H 1 8.847 0.02 . 1 . . . . . . . . 6475 1 1435 . 1 1 122 122 LEU HA H 1 4.326 0.02 . 1 . . . . . . . . 6475 1 1436 . 1 1 122 122 LEU HB2 H 1 1.302 0.02 . 2 . . . . . . . . 6475 1 1437 . 1 1 122 122 LEU HB3 H 1 1.536 0.02 . 2 . . . . . . . . 6475 1 1438 . 1 1 122 122 LEU HG H 1 0.645 0.02 . 1 . . . . . . . . 6475 1 1439 . 1 1 122 122 LEU HD11 H 1 0.559 0.02 . 1 . . . . . . . . 6475 1 1440 . 1 1 122 122 LEU HD12 H 1 0.559 0.02 . 1 . . . . . . . . 6475 1 1441 . 1 1 122 122 LEU HD13 H 1 0.559 0.02 . 1 . . . . . . . . 6475 1 1442 . 1 1 122 122 LEU HD21 H 1 0.559 0.02 . 1 . . . . . . . . 6475 1 1443 . 1 1 122 122 LEU HD22 H 1 0.559 0.02 . 1 . . . . . . . . 6475 1 1444 . 1 1 122 122 LEU HD23 H 1 0.559 0.02 . 1 . . . . . . . . 6475 1 1445 . 1 1 122 122 LEU C C 13 177.619 0.1 . 1 . . . . . . . . 6475 1 1446 . 1 1 122 122 LEU CA C 13 54.532 0.1 . 1 . . . . . . . . 6475 1 1447 . 1 1 122 122 LEU CB C 13 41.204 0.1 . 1 . . . . . . . . 6475 1 1448 . 1 1 122 122 LEU CG C 13 25.785 0.1 . 1 . . . . . . . . 6475 1 1449 . 1 1 122 122 LEU CD1 C 13 21.737 0.1 . 1 . . . . . . . . 6475 1 1450 . 1 1 122 122 LEU CD2 C 13 21.737 0.1 . 1 . . . . . . . . 6475 1 1451 . 1 1 122 122 LEU N N 15 129.761 0.1 . 1 . . . . . . . . 6475 1 1452 . 1 1 123 123 GLY H H 1 7.665 0.02 . 1 . . . . . . . . 6475 1 1453 . 1 1 123 123 GLY HA2 H 1 3.812 0.02 . 2 . . . . . . . . 6475 1 1454 . 1 1 123 123 GLY HA3 H 1 4.003 0.02 . 2 . . . . . . . . 6475 1 1455 . 1 1 123 123 GLY C C 13 173.715 0.1 . 1 . . . . . . . . 6475 1 1456 . 1 1 123 123 GLY CA C 13 45.036 0.1 . 1 . . . . . . . . 6475 1 1457 . 1 1 123 123 GLY N N 15 106.738 0.1 . 1 . . . . . . . . 6475 1 1458 . 1 1 124 124 GLY H H 1 8.277 0.02 . 1 . . . . . . . . 6475 1 1459 . 1 1 124 124 GLY HA2 H 1 3.883 0.02 . 2 . . . . . . . . 6475 1 1460 . 1 1 124 124 GLY HA3 H 1 3.780 0.02 . 2 . . . . . . . . 6475 1 1461 . 1 1 124 124 GLY C C 13 173.755 0.1 . 1 . . . . . . . . 6475 1 1462 . 1 1 124 124 GLY CA C 13 44.976 0.1 . 1 . . . . . . . . 6475 1 1463 . 1 1 124 124 GLY N N 15 108.728 0.1 . 1 . . . . . . . . 6475 1 1464 . 1 1 125 125 LEU H H 1 7.931 0.02 . 1 . . . . . . . . 6475 1 1465 . 1 1 125 125 LEU HA H 1 4.324 0.02 . 1 . . . . . . . . 6475 1 1466 . 1 1 125 125 LEU CA C 13 55.290 0.1 . 1 . . . . . . . . 6475 1 1467 . 1 1 125 125 LEU N N 15 108.160 0.1 . 1 . . . . . . . . 6475 1 1468 . 1 1 126 126 THR H H 1 7.650 0.02 . 1 . . . . . . . . 6475 1 1469 . 1 1 126 126 THR HA H 1 4.073 0.02 . 1 . . . . . . . . 6475 1 1470 . 1 1 126 126 THR HB H 1 4.147 0.02 . 1 . . . . . . . . 6475 1 1471 . 1 1 126 126 THR HG21 H 1 1.048 0.02 . 1 . . . . . . . . 6475 1 1472 . 1 1 126 126 THR HG22 H 1 1.048 0.02 . 1 . . . . . . . . 6475 1 1473 . 1 1 126 126 THR HG23 H 1 1.048 0.02 . 1 . . . . . . . . 6475 1 1474 . 1 1 126 126 THR CA C 13 62.721 0.1 . 1 . . . . . . . . 6475 1 1475 . 1 1 126 126 THR CB C 13 70.540 0.1 . 1 . . . . . . . . 6475 1 1476 . 1 1 126 126 THR CG2 C 13 21.505 0.1 . 1 . . . . . . . . 6475 1 1477 . 1 1 126 126 THR N N 15 119.170 0.1 . 1 . . . . . . . . 6475 1 1478 . 1 1 127 127 ILE HA H 1 3.574 0.02 . 1 . . . . . . . . 6475 1 1479 . 1 1 127 127 ILE HB H 1 1.877 0.02 . 1 . . . . . . . . 6475 1 1480 . 1 1 127 127 ILE HG12 H 1 1.365 0.02 . 2 . . . . . . . . 6475 1 1481 . 1 1 127 127 ILE HG13 H 1 1.164 0.02 . 2 . . . . . . . . 6475 1 1482 . 1 1 127 127 ILE HG21 H 1 0.901 0.02 . 1 . . . . . . . . 6475 1 1483 . 1 1 127 127 ILE HG22 H 1 0.901 0.02 . 1 . . . . . . . . 6475 1 1484 . 1 1 127 127 ILE HG23 H 1 0.901 0.02 . 1 . . . . . . . . 6475 1 1485 . 1 1 127 127 ILE HD11 H 1 0.834 0.02 . 1 . . . . . . . . 6475 1 1486 . 1 1 127 127 ILE HD12 H 1 0.834 0.02 . 1 . . . . . . . . 6475 1 1487 . 1 1 127 127 ILE HD13 H 1 0.834 0.02 . 1 . . . . . . . . 6475 1 1488 . 1 1 127 127 ILE CA C 13 62.053 0.1 . 1 . . . . . . . . 6475 1 1489 . 1 1 127 127 ILE CB C 13 38.203 0.1 . 1 . . . . . . . . 6475 1 1490 . 1 1 127 127 ILE CG1 C 13 26.891 0.1 . 1 . . . . . . . . 6475 1 1491 . 1 1 127 127 ILE CG2 C 13 17.192 0.1 . 1 . . . . . . . . 6475 1 1492 . 1 1 127 127 ILE CD1 C 13 13.562 0.1 . 1 . . . . . . . . 6475 1 stop_ save_