data_4969 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4969 _Entry.Title ; Backbone 1H, 13C and 15N chemical shift assignments for the Brucella D4.4 VH antibody fragment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-03-07 _Entry.Accession_date 2001-03-07 _Entry.Last_release_date 2001-03-07 _Entry.Original_release_date 2001-03-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Wim Vranken . F . . 4969 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4969 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 360 4969 '15N chemical shifts' 140 4969 '1H chemical shifts' 861 4969 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 . . 2002-12-23 . original BMRB . 4969 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4969 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22088138 _Citation.DOI . _Citation.PubMed_ID 12093273 _Citation.Full_citation . _Citation.Title ; Solution Structure of a Llama Single-domain Antibody with Hydrophobic Residues typical of the VH/VL Interface ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 41 _Citation.Journal_issue 27 _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 8570 _Citation.Page_last 8579 _Citation.Year 2002 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Wim Vranken . F. . . 4969 1 2 Dmitri Tolkatchev . . . . 4969 1 3 Ping Xu . . . . 4969 1 4 Jamshid Tanha . . . . 4969 1 5 Zhigang Chen . . . . 4969 1 6 Saran Narang . . . . 4969 1 7 Feng Ni . . . . 4969 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_BrucD4.4VH _Assembly.Sf_category assembly _Assembly.Sf_framecode system_BrucD4.4VH _Assembly.Entry_ID 4969 _Assembly.ID 1 _Assembly.Name 'Bruc D4.4 VH fragment' _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 'all disulfide bound' _Assembly.Molecular_mass . _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 4969 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 'Bruc D4.4 VH fragment' 1 $BrucD4.4 . . . native . . . . . 4969 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 22 22 SG . 1 . 1 CYS 96 96 SG . . . . . . . . . . . . 4969 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Bruc D4.4 VH fragment' system 4969 1 BrucD4.4VH abbreviation 4969 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID antibody 4969 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BrucD4.4 _Entity.Sf_category entity _Entity.Sf_framecode BrucD4.4 _Entity.Entry_ID 4969 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'VH antibody fragment' _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 ; DVQLQASGGGLVQPGGSLRV SCAASGFTFSSYHMAWVRQA PGKGLEWVSTINPGDGSTYY ADSVKGRFTISRDNAKNTLY LQMNSLKSEDTAVYYCAKYS GGALDAWGQGTQVTVSSQSE QKLISEEDLNHHHHH ; _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 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Sequence includes a tag tail of 18 residues, actual VH fragment sequence terminates at Ser117 ; _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . no PDB 1IEH . 'Solution Structure Of A Soluble Single-Domain Antibody With Hydrophobic Residues Typical Of A VlVH INTERFACE' . . . . . 100.00 135 100.00 100.00 1.81e-74 . . . . 4969 1 . no GenBank AAL35875 . 'immunoglobulin heavy chain variable domain [Lama glama]' . . . . . 86.67 117 99.15 100.00 2.77e-62 . . . . 4969 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID VH abbreviation 4969 1 'VH antibody fragment' common 4969 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 . ASP . 4969 1 2 . VAL . 4969 1 3 . GLN . 4969 1 4 . LEU . 4969 1 5 . GLN . 4969 1 6 . ALA . 4969 1 7 . SER . 4969 1 8 . GLY . 4969 1 9 . GLY . 4969 1 10 . GLY . 4969 1 11 . LEU . 4969 1 12 . VAL . 4969 1 13 . GLN . 4969 1 14 . PRO . 4969 1 15 . GLY . 4969 1 16 . GLY . 4969 1 17 . SER . 4969 1 18 . LEU . 4969 1 19 . ARG . 4969 1 20 . VAL . 4969 1 21 . SER . 4969 1 22 . CYS . 4969 1 23 . ALA . 4969 1 24 . ALA . 4969 1 25 . SER . 4969 1 26 . GLY . 4969 1 27 . PHE . 4969 1 28 . THR . 4969 1 29 . PHE . 4969 1 30 . SER . 4969 1 31 . SER . 4969 1 32 . TYR . 4969 1 33 . HIS . 4969 1 34 . MET . 4969 1 35 . ALA . 4969 1 36 . TRP . 4969 1 37 . VAL . 4969 1 38 . ARG . 4969 1 39 . GLN . 4969 1 40 . ALA . 4969 1 41 . PRO . 4969 1 42 . GLY . 4969 1 43 . LYS . 4969 1 44 . GLY . 4969 1 45 . LEU . 4969 1 46 . GLU . 4969 1 47 . TRP . 4969 1 48 . VAL . 4969 1 49 . SER . 4969 1 50 . THR . 4969 1 51 . ILE . 4969 1 52 . ASN . 4969 1 53 . PRO . 4969 1 54 . GLY . 4969 1 55 . ASP . 4969 1 56 . GLY . 4969 1 57 . SER . 4969 1 58 . THR . 4969 1 59 . TYR . 4969 1 60 . TYR . 4969 1 61 . ALA . 4969 1 62 . ASP . 4969 1 63 . SER . 4969 1 64 . VAL . 4969 1 65 . LYS . 4969 1 66 . GLY . 4969 1 67 . ARG . 4969 1 68 . PHE . 4969 1 69 . THR . 4969 1 70 . ILE . 4969 1 71 . SER . 4969 1 72 . ARG . 4969 1 73 . ASP . 4969 1 74 . ASN . 4969 1 75 . ALA . 4969 1 76 . LYS . 4969 1 77 . ASN . 4969 1 78 . THR . 4969 1 79 . LEU . 4969 1 80 . TYR . 4969 1 81 . LEU . 4969 1 82 . GLN . 4969 1 83 . MET . 4969 1 84 . ASN . 4969 1 85 . SER . 4969 1 86 . LEU . 4969 1 87 . LYS . 4969 1 88 . SER . 4969 1 89 . GLU . 4969 1 90 . ASP . 4969 1 91 . THR . 4969 1 92 . ALA . 4969 1 93 . VAL . 4969 1 94 . TYR . 4969 1 95 . TYR . 4969 1 96 . CYS . 4969 1 97 . ALA . 4969 1 98 . LYS . 4969 1 99 . TYR . 4969 1 100 . SER . 4969 1 101 . GLY . 4969 1 102 . GLY . 4969 1 103 . ALA . 4969 1 104 . LEU . 4969 1 105 . ASP . 4969 1 106 . ALA . 4969 1 107 . TRP . 4969 1 108 . GLY . 4969 1 109 . GLN . 4969 1 110 . GLY . 4969 1 111 . THR . 4969 1 112 . GLN . 4969 1 113 . VAL . 4969 1 114 . THR . 4969 1 115 . VAL . 4969 1 116 . SER . 4969 1 117 . SER . 4969 1 118 . GLN . 4969 1 119 . SER . 4969 1 120 . GLU . 4969 1 121 . GLN . 4969 1 122 . LYS . 4969 1 123 . LEU . 4969 1 124 . ILE . 4969 1 125 . SER . 4969 1 126 . GLU . 4969 1 127 . GLU . 4969 1 128 . ASP . 4969 1 129 . LEU . 4969 1 130 . ASN . 4969 1 131 . HIS . 4969 1 132 . HIS . 4969 1 133 . HIS . 4969 1 134 . HIS . 4969 1 135 . HIS . 4969 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 . ASP 1 1 4969 1 . VAL 2 2 4969 1 . GLN 3 3 4969 1 . LEU 4 4 4969 1 . GLN 5 5 4969 1 . ALA 6 6 4969 1 . SER 7 7 4969 1 . GLY 8 8 4969 1 . GLY 9 9 4969 1 . GLY 10 10 4969 1 . LEU 11 11 4969 1 . VAL 12 12 4969 1 . GLN 13 13 4969 1 . PRO 14 14 4969 1 . GLY 15 15 4969 1 . GLY 16 16 4969 1 . SER 17 17 4969 1 . LEU 18 18 4969 1 . ARG 19 19 4969 1 . VAL 20 20 4969 1 . SER 21 21 4969 1 . CYS 22 22 4969 1 . ALA 23 23 4969 1 . ALA 24 24 4969 1 . SER 25 25 4969 1 . GLY 26 26 4969 1 . PHE 27 27 4969 1 . THR 28 28 4969 1 . PHE 29 29 4969 1 . SER 30 30 4969 1 . SER 31 31 4969 1 . TYR 32 32 4969 1 . HIS 33 33 4969 1 . MET 34 34 4969 1 . ALA 35 35 4969 1 . TRP 36 36 4969 1 . VAL 37 37 4969 1 . ARG 38 38 4969 1 . GLN 39 39 4969 1 . ALA 40 40 4969 1 . PRO 41 41 4969 1 . GLY 42 42 4969 1 . LYS 43 43 4969 1 . GLY 44 44 4969 1 . LEU 45 45 4969 1 . GLU 46 46 4969 1 . TRP 47 47 4969 1 . VAL 48 48 4969 1 . SER 49 49 4969 1 . THR 50 50 4969 1 . ILE 51 51 4969 1 . ASN 52 52 4969 1 . PRO 53 53 4969 1 . GLY 54 54 4969 1 . ASP 55 55 4969 1 . GLY 56 56 4969 1 . SER 57 57 4969 1 . THR 58 58 4969 1 . TYR 59 59 4969 1 . TYR 60 60 4969 1 . ALA 61 61 4969 1 . ASP 62 62 4969 1 . SER 63 63 4969 1 . VAL 64 64 4969 1 . LYS 65 65 4969 1 . GLY 66 66 4969 1 . ARG 67 67 4969 1 . PHE 68 68 4969 1 . THR 69 69 4969 1 . ILE 70 70 4969 1 . SER 71 71 4969 1 . ARG 72 72 4969 1 . ASP 73 73 4969 1 . ASN 74 74 4969 1 . ALA 75 75 4969 1 . LYS 76 76 4969 1 . ASN 77 77 4969 1 . THR 78 78 4969 1 . LEU 79 79 4969 1 . TYR 80 80 4969 1 . LEU 81 81 4969 1 . GLN 82 82 4969 1 . MET 83 83 4969 1 . ASN 84 84 4969 1 . SER 85 85 4969 1 . LEU 86 86 4969 1 . LYS 87 87 4969 1 . SER 88 88 4969 1 . GLU 89 89 4969 1 . ASP 90 90 4969 1 . THR 91 91 4969 1 . ALA 92 92 4969 1 . VAL 93 93 4969 1 . TYR 94 94 4969 1 . TYR 95 95 4969 1 . CYS 96 96 4969 1 . ALA 97 97 4969 1 . LYS 98 98 4969 1 . TYR 99 99 4969 1 . SER 100 100 4969 1 . GLY 101 101 4969 1 . GLY 102 102 4969 1 . ALA 103 103 4969 1 . LEU 104 104 4969 1 . ASP 105 105 4969 1 . ALA 106 106 4969 1 . TRP 107 107 4969 1 . GLY 108 108 4969 1 . GLN 109 109 4969 1 . GLY 110 110 4969 1 . THR 111 111 4969 1 . GLN 112 112 4969 1 . VAL 113 113 4969 1 . THR 114 114 4969 1 . VAL 115 115 4969 1 . SER 116 116 4969 1 . SER 117 117 4969 1 . GLN 118 118 4969 1 . SER 119 119 4969 1 . GLU 120 120 4969 1 . GLN 121 121 4969 1 . LYS 122 122 4969 1 . LEU 123 123 4969 1 . ILE 124 124 4969 1 . SER 125 125 4969 1 . GLU 126 126 4969 1 . GLU 127 127 4969 1 . ASP 128 128 4969 1 . LEU 129 129 4969 1 . ASN 130 130 4969 1 . HIS 131 131 4969 1 . HIS 132 132 4969 1 . HIS 133 133 4969 1 . HIS 134 134 4969 1 . HIS 135 135 4969 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 4969 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $BrucD4.4 . 9844 . . 'Lama glama' Llama . . Eukaryota Metazoa Lama glama . . . . . . . . . . . . . 4969 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 4969 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $BrucD4.4 . 'recombinant technology' . . . . . . . . . . . . . . . . 4969 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Sample.Sf_category sample _Sample.Sf_framecode sample1 _Sample.Entry_ID 4969 _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 'VH antibody fragment' '[U-13C; U-15N]' . . 1 $BrucD4.4 . . . 0.4 0.6 mM . . . . 4969 1 2 'sodium phosphate buffer' . . . . . . . 10 . . mM . . . . 4969 1 3 NaCl . . . . . . . 150 . . mM . . . . 4969 1 4 EDTA . . . . . . . 0.2 . . mM . . . . 4969 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond1 _Sample_condition_list.Entry_ID 4969 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.095 0.005 M 4969 1 pH 6.8 0.1 n/a 4969 1 temperature 303 0.2 K 4969 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 4969 _Software.ID 1 _Software.Type . _Software.Name NMRview _Software.Version 4.1.3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis' 4969 1 'Data visualization' 4969 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4969 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 1.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data processing' 4969 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4969 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4969 _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 Bruker Avance . 800 . . . 4969 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 4969 _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 '15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4969 1 2 '13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4969 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4969 1 4 HNcoCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4969 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4969 1 6 CBCAcoNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4969 1 7 HBHAcoNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4969 1 8 '13C TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4969 1 9 'combined 15N/13C 3D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4969 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4969 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . 4969 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . 4969 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 4969 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_shifts1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shifts1 _Assigned_chem_shift_list.Entry_ID 4969 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 '15N HSQC' 1 $sample1 . 4969 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASP CA C 13 52.000 0.02 . 1 . . . . . . . . . 4969 1 2 . 1 1 1 1 ASP HA H 1 4.220 0.02 . 1 . . . . . . . . . 4969 1 3 . 1 1 1 1 ASP CB C 13 38.700 0.02 . 1 . . . . . . . . . 4969 1 4 . 1 1 1 1 ASP HB3 H 1 2.630 0.02 . 2 . . . . . . . . . 4969 1 5 . 1 1 1 1 ASP HB2 H 1 2.770 0.02 . 2 . . . . . . . . . 4969 1 6 . 1 1 2 2 VAL H H 1 8.110 0.02 . 1 . . . . . . . . . 4969 1 7 . 1 1 2 2 VAL CA C 13 60.883 0.02 . 1 . . . . . . . . . 4969 1 8 . 1 1 2 2 VAL HA H 1 4.249 0.02 . 1 . . . . . . . . . 4969 1 9 . 1 1 2 2 VAL CB C 13 30.920 0.02 . 1 . . . . . . . . . 4969 1 10 . 1 1 2 2 VAL HB H 1 1.956 0.02 . 1 . . . . . . . . . 4969 1 11 . 1 1 2 2 VAL CG2 C 13 19.600 0.02 . 1 . . . . . . . . . 4969 1 12 . 1 1 2 2 VAL HG21 H 1 0.730 0.02 . 1 . . . . . . . . . 4969 1 13 . 1 1 2 2 VAL HG22 H 1 0.730 0.02 . 1 . . . . . . . . . 4969 1 14 . 1 1 2 2 VAL HG23 H 1 0.730 0.02 . 1 . . . . . . . . . 4969 1 15 . 1 1 2 2 VAL CG1 C 13 19.300 0.02 . 1 . . . . . . . . . 4969 1 16 . 1 1 2 2 VAL HG11 H 1 0.814 0.02 . 1 . . . . . . . . . 4969 1 17 . 1 1 2 2 VAL HG12 H 1 0.814 0.02 . 1 . . . . . . . . . 4969 1 18 . 1 1 2 2 VAL HG13 H 1 0.814 0.02 . 1 . . . . . . . . . 4969 1 19 . 1 1 3 3 GLN N N 15 125.058 0.02 . 1 . . . . . . . . . 4969 1 20 . 1 1 3 3 GLN H H 1 8.515 0.02 . 1 . . . . . . . . . 4969 1 21 . 1 1 3 3 GLN CA C 13 53.706 0.02 . 1 . . . . . . . . . 4969 1 22 . 1 1 3 3 GLN HA H 1 4.581 0.02 . 1 . . . . . . . . . 4969 1 23 . 1 1 3 3 GLN CB C 13 29.114 0.02 . 1 . . . . . . . . . 4969 1 24 . 1 1 3 3 GLN HB3 H 1 1.970 0.02 . 2 . . . . . . . . . 4969 1 25 . 1 1 3 3 GLN HB2 H 1 2.070 0.02 . 2 . . . . . . . . . 4969 1 26 . 1 1 3 3 GLN CG C 13 31.957 0.02 . 1 . . . . . . . . . 4969 1 27 . 1 1 3 3 GLN HG3 H 1 2.298 0.02 . 1 . . . . . . . . . 4969 1 28 . 1 1 3 3 GLN HG2 H 1 2.298 0.02 . 1 . . . . . . . . . 4969 1 29 . 1 1 3 3 GLN NE2 N 15 111.640 0.02 . 1 . . . . . . . . . 4969 1 30 . 1 1 3 3 GLN HE21 H 1 6.770 0.02 . 1 . . . . . . . . . 4969 1 31 . 1 1 3 3 GLN HE22 H 1 7.450 0.02 . 1 . . . . . . . . . 4969 1 32 . 1 1 4 4 LEU N N 15 124.023 0.02 . 1 . . . . . . . . . 4969 1 33 . 1 1 4 4 LEU H H 1 8.077 0.02 . 1 . . . . . . . . . 4969 1 34 . 1 1 4 4 LEU CA C 13 52.732 0.02 . 1 . . . . . . . . . 4969 1 35 . 1 1 4 4 LEU HA H 1 4.692 0.02 . 1 . . . . . . . . . 4969 1 36 . 1 1 4 4 LEU CB C 13 42.030 0.02 . 1 . . . . . . . . . 4969 1 37 . 1 1 4 4 LEU HB3 H 1 1.470 0.02 . 1 . . . . . . . . . 4969 1 38 . 1 1 4 4 LEU HB2 H 1 1.470 0.02 . 1 . . . . . . . . . 4969 1 39 . 1 1 4 4 LEU CG C 13 25.399 0.02 . 1 . . . . . . . . . 4969 1 40 . 1 1 4 4 LEU HG H 1 1.382 0.02 . 1 . . . . . . . . . 4969 1 41 . 1 1 4 4 LEU CD1 C 13 22.977 0.02 . 2 . . . . . . . . . 4969 1 42 . 1 1 4 4 LEU HD11 H 1 0.678 0.02 . 2 . . . . . . . . . 4969 1 43 . 1 1 4 4 LEU HD12 H 1 0.678 0.02 . 2 . . . . . . . . . 4969 1 44 . 1 1 4 4 LEU HD13 H 1 0.678 0.02 . 2 . . . . . . . . . 4969 1 45 . 1 1 4 4 LEU CD2 C 13 24.165 0.02 . 2 . . . . . . . . . 4969 1 46 . 1 1 4 4 LEU HD21 H 1 0.574 0.02 . 2 . . . . . . . . . 4969 1 47 . 1 1 4 4 LEU HD22 H 1 0.574 0.02 . 2 . . . . . . . . . 4969 1 48 . 1 1 4 4 LEU HD23 H 1 0.574 0.02 . 2 . . . . . . . . . 4969 1 49 . 1 1 5 5 GLN N N 15 121.165 0.02 . 1 . . . . . . . . . 4969 1 50 . 1 1 5 5 GLN H H 1 8.269 0.02 . 1 . . . . . . . . . 4969 1 51 . 1 1 5 5 GLN CA C 13 53.511 0.02 . 1 . . . . . . . . . 4969 1 52 . 1 1 5 5 GLN HA H 1 4.866 0.02 . 1 . . . . . . . . . 4969 1 53 . 1 1 5 5 GLN CB C 13 29.426 0.02 . 1 . . . . . . . . . 4969 1 54 . 1 1 5 5 GLN HB3 H 1 2.110 0.02 . 1 . . . . . . . . . 4969 1 55 . 1 1 5 5 GLN HB2 H 1 2.110 0.02 . 1 . . . . . . . . . 4969 1 56 . 1 1 5 5 GLN CG C 13 31.900 0.02 . 1 . . . . . . . . . 4969 1 57 . 1 1 5 5 GLN HG3 H 1 2.300 0.02 . 1 . . . . . . . . . 4969 1 58 . 1 1 5 5 GLN HG2 H 1 2.300 0.02 . 1 . . . . . . . . . 4969 1 59 . 1 1 5 5 GLN NE2 N 15 112.000 0.02 . 1 . . . . . . . . . 4969 1 60 . 1 1 5 5 GLN HE21 H 1 6.860 0.02 . 1 . . . . . . . . . 4969 1 61 . 1 1 5 5 GLN HE22 H 1 7.600 0.02 . 1 . . . . . . . . . 4969 1 62 . 1 1 6 6 ALA N N 15 131.177 0.02 . 1 . . . . . . . . . 4969 1 63 . 1 1 6 6 ALA H H 1 8.579 0.02 . 1 . . . . . . . . . 4969 1 64 . 1 1 6 6 ALA CA C 13 49.293 0.02 . 1 . . . . . . . . . 4969 1 65 . 1 1 6 6 ALA HA H 1 5.754 0.02 . 1 . . . . . . . . . 4969 1 66 . 1 1 6 6 ALA CB C 13 19.286 0.02 . 1 . . . . . . . . . 4969 1 67 . 1 1 6 6 ALA HB1 H 1 1.771 0.02 . 1 . . . . . . . . . 4969 1 68 . 1 1 6 6 ALA HB2 H 1 1.771 0.02 . 1 . . . . . . . . . 4969 1 69 . 1 1 6 6 ALA HB3 H 1 1.771 0.02 . 1 . . . . . . . . . 4969 1 70 . 1 1 7 7 SER N N 15 114.274 0.02 . 1 . . . . . . . . . 4969 1 71 . 1 1 7 7 SER H H 1 9.513 0.02 . 1 . . . . . . . . . 4969 1 72 . 1 1 7 7 SER CA C 13 56.201 0.02 . 1 . . . . . . . . . 4969 1 73 . 1 1 7 7 SER HA H 1 4.781 0.02 . 1 . . . . . . . . . 4969 1 74 . 1 1 7 7 SER CB C 13 64.222 0.02 . 1 . . . . . . . . . 4969 1 75 . 1 1 7 7 SER HB3 H 1 3.847 0.02 . 1 . . . . . . . . . 4969 1 76 . 1 1 7 7 SER HB2 H 1 3.849 0.02 . 1 . . . . . . . . . 4969 1 77 . 1 1 8 8 GLY N N 15 107.107 0.02 . 1 . . . . . . . . . 4969 1 78 . 1 1 8 8 GLY H H 1 8.649 0.02 . 1 . . . . . . . . . 4969 1 79 . 1 1 8 8 GLY CA C 13 43.261 0.02 . 1 . . . . . . . . . 4969 1 80 . 1 1 8 8 GLY HA3 H 1 3.786 0.02 . 2 . . . . . . . . . 4969 1 81 . 1 1 8 8 GLY HA2 H 1 4.581 0.02 . 2 . . . . . . . . . 4969 1 82 . 1 1 9 9 GLY N N 15 107.038 0.02 . 1 . . . . . . . . . 4969 1 83 . 1 1 9 9 GLY H H 1 8.119 0.02 . 1 . . . . . . . . . 4969 1 84 . 1 1 9 9 GLY CA C 13 43.624 0.02 . 1 . . . . . . . . . 4969 1 85 . 1 1 9 9 GLY HA3 H 1 3.539 0.02 . 2 . . . . . . . . . 4969 1 86 . 1 1 9 9 GLY HA2 H 1 3.894 0.02 . 2 . . . . . . . . . 4969 1 87 . 1 1 10 10 GLY N N 15 106.695 0.02 . 1 . . . . . . . . . 4969 1 88 . 1 1 10 10 GLY H H 1 7.122 0.02 . 1 . . . . . . . . . 4969 1 89 . 1 1 10 10 GLY CA C 13 43.356 0.02 . 1 . . . . . . . . . 4969 1 90 . 1 1 10 10 GLY HA3 H 1 3.990 0.02 . 1 . . . . . . . . . 4969 1 91 . 1 1 10 10 GLY HA2 H 1 4.060 0.02 . 1 . . . . . . . . . 4969 1 92 . 1 1 11 11 LEU N N 15 122.631 0.02 . 1 . . . . . . . . . 4969 1 93 . 1 1 11 11 LEU H H 1 8.087 0.02 . 1 . . . . . . . . . 4969 1 94 . 1 1 11 11 LEU CA C 13 52.531 0.02 . 1 . . . . . . . . . 4969 1 95 . 1 1 11 11 LEU HA H 1 5.252 0.02 . 1 . . . . . . . . . 4969 1 96 . 1 1 11 11 LEU CB C 13 41.490 0.02 . 1 . . . . . . . . . 4969 1 97 . 1 1 11 11 LEU HB3 H 1 1.455 0.02 . 2 . . . . . . . . . 4969 1 98 . 1 1 11 11 LEU HB2 H 1 1.652 0.02 . 2 . . . . . . . . . 4969 1 99 . 1 1 11 11 LEU CG C 13 25.690 0.02 . 1 . . . . . . . . . 4969 1 100 . 1 1 11 11 LEU HG H 1 1.459 0.02 . 1 . . . . . . . . . 4969 1 101 . 1 1 11 11 LEU CD1 C 13 23.184 0.02 . 1 . . . . . . . . . 4969 1 102 . 1 1 11 11 LEU HD11 H 1 0.833 0.02 . 1 . . . . . . . . . 4969 1 103 . 1 1 11 11 LEU HD12 H 1 0.833 0.02 . 1 . . . . . . . . . 4969 1 104 . 1 1 11 11 LEU HD13 H 1 0.833 0.02 . 1 . . . . . . . . . 4969 1 105 . 1 1 11 11 LEU CD2 C 13 23.184 0.02 . 1 . . . . . . . . . 4969 1 106 . 1 1 11 11 LEU HD21 H 1 0.833 0.02 . 1 . . . . . . . . . 4969 1 107 . 1 1 11 11 LEU HD22 H 1 0.833 0.02 . 1 . . . . . . . . . 4969 1 108 . 1 1 11 11 LEU HD23 H 1 0.833 0.02 . 1 . . . . . . . . . 4969 1 109 . 1 1 12 12 VAL N N 15 124.619 0.02 . 1 . . . . . . . . . 4969 1 110 . 1 1 12 12 VAL H H 1 9.023 0.02 . 1 . . . . . . . . . 4969 1 111 . 1 1 12 12 VAL CA C 13 58.023 0.02 . 1 . . . . . . . . . 4969 1 112 . 1 1 12 12 VAL HA H 1 4.465 0.02 . 1 . . . . . . . . . 4969 1 113 . 1 1 12 12 VAL CB C 13 33.622 0.02 . 1 . . . . . . . . . 4969 1 114 . 1 1 12 12 VAL HB H 1 1.856 0.02 . 1 . . . . . . . . . 4969 1 115 . 1 1 12 12 VAL CG2 C 13 19.384 0.02 . 2 . . . . . . . . . 4969 1 116 . 1 1 12 12 VAL HG21 H 1 0.782 0.02 . 1 . . . . . . . . . 4969 1 117 . 1 1 12 12 VAL HG22 H 1 0.782 0.02 . 1 . . . . . . . . . 4969 1 118 . 1 1 12 12 VAL HG23 H 1 0.782 0.02 . 1 . . . . . . . . . 4969 1 119 . 1 1 12 12 VAL CG1 C 13 19.850 0.02 . 2 . . . . . . . . . 4969 1 120 . 1 1 12 12 VAL HG11 H 1 0.853 0.02 . 1 . . . . . . . . . 4969 1 121 . 1 1 12 12 VAL HG12 H 1 0.853 0.02 . 1 . . . . . . . . . 4969 1 122 . 1 1 12 12 VAL HG13 H 1 0.853 0.02 . 1 . . . . . . . . . 4969 1 123 . 1 1 13 13 GLN N N 15 122.357 0.02 . 1 . . . . . . . . . 4969 1 124 . 1 1 13 13 GLN H H 1 8.156 0.02 . 1 . . . . . . . . . 4969 1 125 . 1 1 13 13 GLN CA C 13 52.185 0.02 . 1 . . . . . . . . . 4969 1 126 . 1 1 13 13 GLN HA H 1 4.704 0.02 . 1 . . . . . . . . . 4969 1 127 . 1 1 13 13 GLN CB C 13 26.198 0.02 . 1 . . . . . . . . . 4969 1 128 . 1 1 13 13 GLN HB3 H 1 1.870 0.02 . 2 . . . . . . . . . 4969 1 129 . 1 1 13 13 GLN HB2 H 1 2.047 0.02 . 2 . . . . . . . . . 4969 1 130 . 1 1 13 13 GLN CG C 13 32.181 0.02 . 1 . . . . . . . . . 4969 1 131 . 1 1 13 13 GLN HG3 H 1 2.419 0.02 . 1 . . . . . . . . . 4969 1 132 . 1 1 13 13 GLN HG2 H 1 2.419 0.02 . 1 . . . . . . . . . 4969 1 133 . 1 1 13 13 GLN NE2 N 15 111.900 0.02 . 1 . . . . . . . . . 4969 1 134 . 1 1 13 13 GLN HE21 H 1 6.810 0.02 . 1 . . . . . . . . . 4969 1 135 . 1 1 13 13 GLN HE22 H 1 7.510 0.02 . 1 . . . . . . . . . 4969 1 136 . 1 1 14 14 PRO CA C 13 62.058 0.02 . 1 . . . . . . . . . 4969 1 137 . 1 1 14 14 PRO HA H 1 3.871 0.02 . 1 . . . . . . . . . 4969 1 138 . 1 1 14 14 PRO CB C 13 29.211 0.02 . 1 . . . . . . . . . 4969 1 139 . 1 1 14 14 PRO HB3 H 1 1.886 0.02 . 2 . . . . . . . . . 4969 1 140 . 1 1 14 14 PRO HB2 H 1 2.218 0.02 . 2 . . . . . . . . . 4969 1 141 . 1 1 14 14 PRO CG C 13 26.300 0.02 . 1 . . . . . . . . . 4969 1 142 . 1 1 14 14 PRO HG3 H 1 1.742 0.02 . 2 . . . . . . . . . 4969 1 143 . 1 1 14 14 PRO HG2 H 1 2.110 0.02 . 2 . . . . . . . . . 4969 1 144 . 1 1 14 14 PRO CD C 13 48.323 0.02 . 1 . . . . . . . . . 4969 1 145 . 1 1 14 14 PRO HD3 H 1 3.523 0.02 . 1 . . . . . . . . . 4969 1 146 . 1 1 14 14 PRO HD2 H 1 3.523 0.02 . 1 . . . . . . . . . 4969 1 147 . 1 1 15 15 GLY N N 15 114.154 0.02 . 1 . . . . . . . . . 4969 1 148 . 1 1 15 15 GLY H H 1 9.756 0.02 . 1 . . . . . . . . . 4969 1 149 . 1 1 15 15 GLY CA C 13 43.000 0.02 . 1 . . . . . . . . . 4969 1 150 . 1 1 15 15 GLY HA3 H 1 3.554 0.02 . 2 . . . . . . . . . 4969 1 151 . 1 1 15 15 GLY HA2 H 1 4.388 0.02 . 2 . . . . . . . . . 4969 1 152 . 1 1 16 16 GLY N N 15 109.031 0.02 . 1 . . . . . . . . . 4969 1 153 . 1 1 16 16 GLY H H 1 8.429 0.02 . 1 . . . . . . . . . 4969 1 154 . 1 1 16 16 GLY CA C 13 42.856 0.02 . 1 . . . . . . . . . 4969 1 155 . 1 1 16 16 GLY HA3 H 1 3.708 0.02 . 2 . . . . . . . . . 4969 1 156 . 1 1 16 16 GLY HA2 H 1 4.287 0.02 . 2 . . . . . . . . . 4969 1 157 . 1 1 17 17 SER N N 15 109.617 0.02 . 1 . . . . . . . . . 4969 1 158 . 1 1 17 17 SER H H 1 7.845 0.02 . 1 . . . . . . . . . 4969 1 159 . 1 1 17 17 SER CA C 13 54.692 0.02 . 1 . . . . . . . . . 4969 1 160 . 1 1 17 17 SER HA H 1 5.569 0.02 . 1 . . . . . . . . . 4969 1 161 . 1 1 17 17 SER CB C 13 65.454 0.02 . 1 . . . . . . . . . 4969 1 162 . 1 1 17 17 SER HB3 H 1 3.672 0.02 . 2 . . . . . . . . . 4969 1 163 . 1 1 17 17 SER HB2 H 1 3.763 0.02 . 2 . . . . . . . . . 4969 1 164 . 1 1 18 18 LEU N N 15 122.383 0.02 . 1 . . . . . . . . . 4969 1 165 . 1 1 18 18 LEU H H 1 8.630 0.02 . 1 . . . . . . . . . 4969 1 166 . 1 1 18 18 LEU CA C 13 53.161 0.02 . 1 . . . . . . . . . 4969 1 167 . 1 1 18 18 LEU HA H 1 4.311 0.02 . 1 . . . . . . . . . 4969 1 168 . 1 1 18 18 LEU CB C 13 45.476 0.02 . 1 . . . . . . . . . 4969 1 169 . 1 1 18 18 LEU HB3 H 1 1.300 0.02 . 1 . . . . . . . . . 4969 1 170 . 1 1 18 18 LEU HB2 H 1 1.300 0.02 . 1 . . . . . . . . . 4969 1 171 . 1 1 18 18 LEU HG H 1 1.292 0.02 . 1 . . . . . . . . . 4969 1 172 . 1 1 18 18 LEU CD1 C 13 22.816 0.02 . 2 . . . . . . . . . 4969 1 173 . 1 1 18 18 LEU HD11 H 1 0.758 0.02 . 2 . . . . . . . . . 4969 1 174 . 1 1 18 18 LEU HD12 H 1 0.758 0.02 . 2 . . . . . . . . . 4969 1 175 . 1 1 18 18 LEU HD13 H 1 0.758 0.02 . 2 . . . . . . . . . 4969 1 176 . 1 1 18 18 LEU CD2 C 13 24.298 0.02 . 2 . . . . . . . . . 4969 1 177 . 1 1 18 18 LEU HD21 H 1 0.645 0.02 . 2 . . . . . . . . . 4969 1 178 . 1 1 18 18 LEU HD22 H 1 0.645 0.02 . 2 . . . . . . . . . 4969 1 179 . 1 1 18 18 LEU HD23 H 1 0.645 0.02 . 2 . . . . . . . . . 4969 1 180 . 1 1 19 19 ARG N N 15 124.541 0.02 . 1 . . . . . . . . . 4969 1 181 . 1 1 19 19 ARG H H 1 8.139 0.02 . 1 . . . . . . . . . 4969 1 182 . 1 1 19 19 ARG CA C 13 52.675 0.02 . 1 . . . . . . . . . 4969 1 183 . 1 1 19 19 ARG HA H 1 5.129 0.02 . 1 . . . . . . . . . 4969 1 184 . 1 1 19 19 ARG CB C 13 30.869 0.02 . 1 . . . . . . . . . 4969 1 185 . 1 1 19 19 ARG HB3 H 1 1.647 0.02 . 2 . . . . . . . . . 4969 1 186 . 1 1 19 19 ARG HB2 H 1 1.748 0.02 . 2 . . . . . . . . . 4969 1 187 . 1 1 19 19 ARG CG C 13 25.586 0.02 . 1 . . . . . . . . . 4969 1 188 . 1 1 19 19 ARG HG3 H 1 1.272 0.02 . 2 . . . . . . . . . 4969 1 189 . 1 1 19 19 ARG HG2 H 1 1.347 0.02 . 2 . . . . . . . . . 4969 1 190 . 1 1 19 19 ARG CD C 13 41.699 0.02 . 1 . . . . . . . . . 4969 1 191 . 1 1 19 19 ARG HD3 H 1 2.873 0.02 . 1 . . . . . . . . . 4969 1 192 . 1 1 19 19 ARG HD2 H 1 2.873 0.02 . 1 . . . . . . . . . 4969 1 193 . 1 1 19 19 ARG NE N 15 83.900 0.02 . 1 . . . . . . . . . 4969 1 194 . 1 1 19 19 ARG HE H 1 6.890 0.02 . 1 . . . . . . . . . 4969 1 195 . 1 1 20 20 VAL N N 15 119.828 0.02 . 1 . . . . . . . . . 4969 1 196 . 1 1 20 20 VAL H H 1 8.158 0.02 . 1 . . . . . . . . . 4969 1 197 . 1 1 20 20 VAL CA C 13 57.834 0.02 . 1 . . . . . . . . . 4969 1 198 . 1 1 20 20 VAL HA H 1 4.882 0.02 . 1 . . . . . . . . . 4969 1 199 . 1 1 20 20 VAL CB C 13 31.830 0.02 . 1 . . . . . . . . . 4969 1 200 . 1 1 20 20 VAL HB H 1 2.064 0.02 . 1 . . . . . . . . . 4969 1 201 . 1 1 20 20 VAL CG2 C 13 18.290 0.02 . 1 . . . . . . . . . 4969 1 202 . 1 1 20 20 VAL HG21 H 1 -0.090 0.02 . 2 . . . . . . . . . 4969 1 203 . 1 1 20 20 VAL HG22 H 1 -0.090 0.02 . 2 . . . . . . . . . 4969 1 204 . 1 1 20 20 VAL HG23 H 1 -0.090 0.02 . 2 . . . . . . . . . 4969 1 205 . 1 1 20 20 VAL CG1 C 13 20.200 0.02 . 1 . . . . . . . . . 4969 1 206 . 1 1 20 20 VAL HG11 H 1 0.305 0.02 . 2 . . . . . . . . . 4969 1 207 . 1 1 20 20 VAL HG12 H 1 0.305 0.02 . 2 . . . . . . . . . 4969 1 208 . 1 1 20 20 VAL HG13 H 1 0.305 0.02 . 2 . . . . . . . . . 4969 1 209 . 1 1 21 21 SER N N 15 113.807 0.02 . 1 . . . . . . . . . 4969 1 210 . 1 1 21 21 SER H H 1 8.817 0.02 . 1 . . . . . . . . . 4969 1 211 . 1 1 21 21 SER CA C 13 55.326 0.02 . 1 . . . . . . . . . 4969 1 212 . 1 1 21 21 SER HA H 1 5.831 0.02 . 1 . . . . . . . . . 4969 1 213 . 1 1 21 21 SER CB C 13 65.807 0.02 . 1 . . . . . . . . . 4969 1 214 . 1 1 21 21 SER HB3 H 1 3.600 0.02 . 2 . . . . . . . . . 4969 1 215 . 1 1 21 21 SER HB2 H 1 3.778 0.02 . 2 . . . . . . . . . 4969 1 216 . 1 1 22 22 CYS N N 15 119.645 0.02 . 1 . . . . . . . . . 4969 1 217 . 1 1 22 22 CYS H H 1 9.157 0.02 . 1 . . . . . . . . . 4969 1 218 . 1 1 22 22 CYS CA C 13 52.516 0.02 . 1 . . . . . . . . . 4969 1 219 . 1 1 22 22 CYS HA H 1 5.384 0.02 . 1 . . . . . . . . . 4969 1 220 . 1 1 22 22 CYS CB C 13 46.165 0.02 . 1 . . . . . . . . . 4969 1 221 . 1 1 22 22 CYS HB3 H 1 2.936 0.02 . 2 . . . . . . . . . 4969 1 222 . 1 1 22 22 CYS HB2 H 1 3.037 0.02 . 2 . . . . . . . . . 4969 1 223 . 1 1 23 23 ALA N N 15 127.170 0.02 . 1 . . . . . . . . . 4969 1 224 . 1 1 23 23 ALA H H 1 8.306 0.02 . 1 . . . . . . . . . 4969 1 225 . 1 1 23 23 ALA CA C 13 49.504 0.02 . 1 . . . . . . . . . 4969 1 226 . 1 1 23 23 ALA HA H 1 4.866 0.02 . 1 . . . . . . . . . 4969 1 227 . 1 1 23 23 ALA CB C 13 20.000 0.02 . 1 . . . . . . . . . 4969 1 228 . 1 1 23 23 ALA HB1 H 1 1.411 0.02 . 1 . . . . . . . . . 4969 1 229 . 1 1 23 23 ALA HB2 H 1 1.411 0.02 . 1 . . . . . . . . . 4969 1 230 . 1 1 23 23 ALA HB3 H 1 1.411 0.02 . 1 . . . . . . . . . 4969 1 231 . 1 1 24 24 ALA N N 15 124.194 0.02 . 1 . . . . . . . . . 4969 1 232 . 1 1 24 24 ALA H H 1 8.214 0.02 . 1 . . . . . . . . . 4969 1 233 . 1 1 24 24 ALA CA C 13 49.274 0.02 . 1 . . . . . . . . . 4969 1 234 . 1 1 24 24 ALA HA H 1 5.098 0.02 . 1 . . . . . . . . . 4969 1 235 . 1 1 24 24 ALA CB C 13 21.400 0.02 . 1 . . . . . . . . . 4969 1 236 . 1 1 24 24 ALA HB1 H 1 1.053 0.02 . 1 . . . . . . . . . 4969 1 237 . 1 1 24 24 ALA HB2 H 1 1.053 0.02 . 1 . . . . . . . . . 4969 1 238 . 1 1 24 24 ALA HB3 H 1 1.053 0.02 . 1 . . . . . . . . . 4969 1 239 . 1 1 25 25 SER N N 15 114.760 0.02 . 1 . . . . . . . . . 4969 1 240 . 1 1 25 25 SER H H 1 8.664 0.02 . 1 . . . . . . . . . 4969 1 241 . 1 1 25 25 SER CA C 13 56.355 0.02 . 1 . . . . . . . . . 4969 1 242 . 1 1 25 25 SER HA H 1 4.470 0.02 . 1 . . . . . . . . . 4969 1 243 . 1 1 25 25 SER CB C 13 64.030 0.02 . 1 . . . . . . . . . 4969 1 244 . 1 1 25 25 SER HB3 H 1 3.853 0.02 . 1 . . . . . . . . . 4969 1 245 . 1 1 25 25 SER HB2 H 1 3.853 0.02 . 1 . . . . . . . . . 4969 1 246 . 1 1 26 26 GLY CA C 13 43.820 0.02 . 1 . . . . . . . . . 4969 1 247 . 1 1 26 26 GLY HA3 H 1 4.400 0.02 . 2 . . . . . . . . . 4969 1 248 . 1 1 26 26 GLY HA2 H 1 3.790 0.02 . 2 . . . . . . . . . 4969 1 249 . 1 1 27 27 PHE N N 15 115.860 0.02 . 1 . . . . . . . . . 4969 1 250 . 1 1 27 27 PHE H H 1 7.470 0.02 . 1 . . . . . . . . . 4969 1 251 . 1 1 27 27 PHE CA C 13 54.370 0.02 . 1 . . . . . . . . . 4969 1 252 . 1 1 27 27 PHE HA H 1 4.830 0.02 . 1 . . . . . . . . . 4969 1 253 . 1 1 27 27 PHE CB C 13 38.500 0.02 . 1 . . . . . . . . . 4969 1 254 . 1 1 27 27 PHE HB3 H 1 2.940 0.02 . 2 . . . . . . . . . 4969 1 255 . 1 1 27 27 PHE HB2 H 1 3.090 0.02 . 2 . . . . . . . . . 4969 1 256 . 1 1 27 27 PHE HD1 H 1 6.970 0.02 . 1 . . . . . . . . . 4969 1 257 . 1 1 27 27 PHE HE1 H 1 6.970 0.02 . 1 . . . . . . . . . 4969 1 258 . 1 1 27 27 PHE HZ H 1 6.970 0.02 . 1 . . . . . . . . . 4969 1 259 . 1 1 27 27 PHE HE2 H 1 6.970 0.02 . 1 . . . . . . . . . 4969 1 260 . 1 1 27 27 PHE HD2 H 1 6.970 0.02 . 1 . . . . . . . . . 4969 1 261 . 1 1 28 28 THR CA C 13 59.158 0.02 . 1 . . . . . . . . . 4969 1 262 . 1 1 28 28 THR HA H 1 4.310 0.02 . 1 . . . . . . . . . 4969 1 263 . 1 1 28 28 THR CB C 13 67.188 0.02 . 1 . . . . . . . . . 4969 1 264 . 1 1 28 28 THR HB H 1 4.239 0.02 . 1 . . . . . . . . . 4969 1 265 . 1 1 28 28 THR CG2 C 13 20.400 0.02 . 1 . . . . . . . . . 4969 1 266 . 1 1 28 28 THR HG21 H 1 1.215 0.02 . 1 . . . . . . . . . 4969 1 267 . 1 1 28 28 THR HG22 H 1 1.215 0.02 . 1 . . . . . . . . . 4969 1 268 . 1 1 28 28 THR HG23 H 1 1.215 0.02 . 1 . . . . . . . . . 4969 1 269 . 1 1 29 29 PHE N N 15 127.382 0.02 . 1 . . . . . . . . . 4969 1 270 . 1 1 29 29 PHE H H 1 8.259 0.02 . 1 . . . . . . . . . 4969 1 271 . 1 1 29 29 PHE CA C 13 58.612 0.02 . 1 . . . . . . . . . 4969 1 272 . 1 1 29 29 PHE HA H 1 4.291 0.02 . 1 . . . . . . . . . 4969 1 273 . 1 1 29 29 PHE CB C 13 37.650 0.02 . 1 . . . . . . . . . 4969 1 274 . 1 1 29 29 PHE HB3 H 1 2.870 0.02 . 2 . . . . . . . . . 4969 1 275 . 1 1 29 29 PHE HB2 H 1 3.040 0.02 . 2 . . . . . . . . . 4969 1 276 . 1 1 29 29 PHE HD1 H 1 7.170 0.02 . 1 . . . . . . . . . 4969 1 277 . 1 1 29 29 PHE HE1 H 1 7.170 0.02 . 1 . . . . . . . . . 4969 1 278 . 1 1 29 29 PHE HZ H 1 7.170 0.02 . 1 . . . . . . . . . 4969 1 279 . 1 1 29 29 PHE HE2 H 1 7.170 0.02 . 1 . . . . . . . . . 4969 1 280 . 1 1 29 29 PHE HD2 H 1 7.170 0.02 . 1 . . . . . . . . . 4969 1 281 . 1 1 30 30 SER N N 15 111.246 0.02 . 1 . . . . . . . . . 4969 1 282 . 1 1 30 30 SER H H 1 8.494 0.02 . 1 . . . . . . . . . 4969 1 283 . 1 1 30 30 SER CA C 13 58.339 0.02 . 1 . . . . . . . . . 4969 1 284 . 1 1 30 30 SER HA H 1 4.026 0.02 . 1 . . . . . . . . . 4969 1 285 . 1 1 30 30 SER CB C 13 61.379 0.02 . 1 . . . . . . . . . 4969 1 286 . 1 1 30 30 SER HB3 H 1 3.894 0.02 . 1 . . . . . . . . . 4969 1 287 . 1 1 30 30 SER HB2 H 1 3.894 0.02 . 1 . . . . . . . . . 4969 1 288 . 1 1 31 31 SER N N 15 114.461 0.02 . 1 . . . . . . . . . 4969 1 289 . 1 1 31 31 SER H H 1 7.811 0.02 . 1 . . . . . . . . . 4969 1 290 . 1 1 31 31 SER CA C 13 57.315 0.02 . 1 . . . . . . . . . 4969 1 291 . 1 1 31 31 SER HA H 1 4.401 0.02 . 1 . . . . . . . . . 4969 1 292 . 1 1 31 31 SER CB C 13 62.327 0.02 . 1 . . . . . . . . . 4969 1 293 . 1 1 31 31 SER HB3 H 1 3.662 0.02 . 1 . . . . . . . . . 4969 1 294 . 1 1 31 31 SER HB2 H 1 3.662 0.02 . 1 . . . . . . . . . 4969 1 295 . 1 1 32 32 TYR N N 15 117.822 0.02 . 1 . . . . . . . . . 4969 1 296 . 1 1 32 32 TYR H H 1 7.525 0.02 . 1 . . . . . . . . . 4969 1 297 . 1 1 32 32 TYR CA C 13 55.961 0.02 . 1 . . . . . . . . . 4969 1 298 . 1 1 32 32 TYR HA H 1 4.838 0.02 . 1 . . . . . . . . . 4969 1 299 . 1 1 32 32 TYR CB C 13 39.550 0.02 . 1 . . . . . . . . . 4969 1 300 . 1 1 32 32 TYR HB3 H 1 2.693 0.02 . 2 . . . . . . . . . 4969 1 301 . 1 1 32 32 TYR HB2 H 1 3.279 0.02 . 2 . . . . . . . . . 4969 1 302 . 1 1 32 32 TYR HD1 H 1 7.320 0.02 . 1 . . . . . . . . . 4969 1 303 . 1 1 32 32 TYR HE1 H 1 7.060 0.02 . 1 . . . . . . . . . 4969 1 304 . 1 1 32 32 TYR HE2 H 1 7.060 0.02 . 1 . . . . . . . . . 4969 1 305 . 1 1 32 32 TYR HD2 H 1 7.320 0.02 . 1 . . . . . . . . . 4969 1 306 . 1 1 33 33 HIS N N 15 121.488 0.02 . 1 . . . . . . . . . 4969 1 307 . 1 1 33 33 HIS H H 1 8.846 0.02 . 1 . . . . . . . . . 4969 1 308 . 1 1 33 33 HIS CA C 13 56.035 0.02 . 1 . . . . . . . . . 4969 1 309 . 1 1 33 33 HIS HA H 1 4.670 0.02 . 1 . . . . . . . . . 4969 1 310 . 1 1 33 33 HIS CB C 13 28.985 0.02 . 1 . . . . . . . . . 4969 1 311 . 1 1 33 33 HIS HB3 H 1 2.882 0.02 . 2 . . . . . . . . . 4969 1 312 . 1 1 33 33 HIS HB2 H 1 3.272 0.02 . 2 . . . . . . . . . 4969 1 313 . 1 1 34 34 MET N N 15 121.046 0.02 . 1 . . . . . . . . . 4969 1 314 . 1 1 34 34 MET H H 1 8.027 0.02 . 1 . . . . . . . . . 4969 1 315 . 1 1 34 34 MET CA C 13 50.081 0.02 . 1 . . . . . . . . . 4969 1 316 . 1 1 34 34 MET HA H 1 5.665 0.02 . 1 . . . . . . . . . 4969 1 317 . 1 1 34 34 MET CB C 13 32.980 0.02 . 1 . . . . . . . . . 4969 1 318 . 1 1 34 34 MET HB3 H 1 1.740 0.02 . 2 . . . . . . . . . 4969 1 319 . 1 1 34 34 MET HB2 H 1 1.941 0.02 . 2 . . . . . . . . . 4969 1 320 . 1 1 34 34 MET CG C 13 29.468 0.02 . 1 . . . . . . . . . 4969 1 321 . 1 1 34 34 MET HG3 H 1 2.430 0.02 . 2 . . . . . . . . . 4969 1 322 . 1 1 34 34 MET HG2 H 1 2.486 0.02 . 2 . . . . . . . . . 4969 1 323 . 1 1 34 34 MET CE C 13 13.300 0.02 . 1 . . . . . . . . . 4969 1 324 . 1 1 34 34 MET HE1 H 1 1.770 0.02 . 1 . . . . . . . . . 4969 1 325 . 1 1 34 34 MET HE2 H 1 1.770 0.02 . 1 . . . . . . . . . 4969 1 326 . 1 1 34 34 MET HE3 H 1 1.770 0.02 . 1 . . . . . . . . . 4969 1 327 . 1 1 35 35 ALA N N 15 121.861 0.02 . 1 . . . . . . . . . 4969 1 328 . 1 1 35 35 ALA H H 1 9.157 0.02 . 1 . . . . . . . . . 4969 1 329 . 1 1 35 35 ALA CA C 13 48.459 0.02 . 1 . . . . . . . . . 4969 1 330 . 1 1 35 35 ALA HA H 1 5.732 0.02 . 1 . . . . . . . . . 4969 1 331 . 1 1 35 35 ALA CB C 13 23.353 0.02 . 1 . . . . . . . . . 4969 1 332 . 1 1 35 35 ALA HB1 H 1 1.464 0.02 . 1 . . . . . . . . . 4969 1 333 . 1 1 35 35 ALA HB2 H 1 1.464 0.02 . 1 . . . . . . . . . 4969 1 334 . 1 1 35 35 ALA HB3 H 1 1.464 0.02 . 1 . . . . . . . . . 4969 1 335 . 1 1 36 36 TRP N N 15 115.198 0.02 . 1 . . . . . . . . . 4969 1 336 . 1 1 36 36 TRP H H 1 8.752 0.02 . 1 . . . . . . . . . 4969 1 337 . 1 1 36 36 TRP CA C 13 54.829 0.02 . 1 . . . . . . . . . 4969 1 338 . 1 1 36 36 TRP HA H 1 5.476 0.02 . 1 . . . . . . . . . 4969 1 339 . 1 1 36 36 TRP CB C 13 30.865 0.02 . 1 . . . . . . . . . 4969 1 340 . 1 1 36 36 TRP HB3 H 1 2.761 0.02 . 2 . . . . . . . . . 4969 1 341 . 1 1 36 36 TRP HB2 H 1 3.111 0.02 . 2 . . . . . . . . . 4969 1 342 . 1 1 36 36 TRP HD1 H 1 6.910 0.02 . 1 . . . . . . . . . 4969 1 343 . 1 1 36 36 TRP NE1 N 15 122.600 0.02 . 1 . . . . . . . . . 4969 1 344 . 1 1 36 36 TRP HE1 H 1 7.900 0.02 . 1 . . . . . . . . . 4969 1 345 . 1 1 36 36 TRP HZ2 H 1 6.920 0.02 . 1 . . . . . . . . . 4969 1 346 . 1 1 36 36 TRP HH2 H 1 6.740 0.02 . 1 . . . . . . . . . 4969 1 347 . 1 1 36 36 TRP HZ3 H 1 6.770 0.02 . 1 . . . . . . . . . 4969 1 348 . 1 1 36 36 TRP HE3 H 1 7.640 0.02 . 1 . . . . . . . . . 4969 1 349 . 1 1 37 37 VAL N N 15 117.043 0.02 . 1 . . . . . . . . . 4969 1 350 . 1 1 37 37 VAL H H 1 9.517 0.02 . 1 . . . . . . . . . 4969 1 351 . 1 1 37 37 VAL CA C 13 57.230 0.02 . 1 . . . . . . . . . 4969 1 352 . 1 1 37 37 VAL HA H 1 5.093 0.02 . 1 . . . . . . . . . 4969 1 353 . 1 1 37 37 VAL CB C 13 33.622 0.02 . 1 . . . . . . . . . 4969 1 354 . 1 1 37 37 VAL HB H 1 1.934 0.02 . 1 . . . . . . . . . 4969 1 355 . 1 1 37 37 VAL CG2 C 13 18.506 0.02 . 2 . . . . . . . . . 4969 1 356 . 1 1 37 37 VAL HG21 H 1 0.634 0.02 . 2 . . . . . . . . . 4969 1 357 . 1 1 37 37 VAL HG22 H 1 0.634 0.02 . 2 . . . . . . . . . 4969 1 358 . 1 1 37 37 VAL HG23 H 1 0.634 0.02 . 2 . . . . . . . . . 4969 1 359 . 1 1 37 37 VAL CG1 C 13 20.313 0.02 . 2 . . . . . . . . . 4969 1 360 . 1 1 37 37 VAL HG11 H 1 0.852 0.02 . 2 . . . . . . . . . 4969 1 361 . 1 1 37 37 VAL HG12 H 1 0.852 0.02 . 2 . . . . . . . . . 4969 1 362 . 1 1 37 37 VAL HG13 H 1 0.852 0.02 . 2 . . . . . . . . . 4969 1 363 . 1 1 38 38 ARG N N 15 118.073 0.02 . 1 . . . . . . . . . 4969 1 364 . 1 1 38 38 ARG H H 1 9.413 0.02 . 1 . . . . . . . . . 4969 1 365 . 1 1 38 38 ARG CA C 13 51.545 0.02 . 1 . . . . . . . . . 4969 1 366 . 1 1 38 38 ARG HA H 1 5.812 0.02 . 1 . . . . . . . . . 4969 1 367 . 1 1 38 38 ARG CB C 13 31.003 0.02 . 1 . . . . . . . . . 4969 1 368 . 1 1 38 38 ARG HB3 H 1 0.730 0.02 . 2 . . . . . . . . . 4969 1 369 . 1 1 38 38 ARG HB2 H 1 0.680 0.02 . 2 . . . . . . . . . 4969 1 370 . 1 1 38 38 ARG CG C 13 22.800 0.02 . 1 . . . . . . . . . 4969 1 371 . 1 1 38 38 ARG HG3 H 1 1.310 0.02 . 2 . . . . . . . . . 4969 1 372 . 1 1 38 38 ARG HG2 H 1 1.391 0.02 . 2 . . . . . . . . . 4969 1 373 . 1 1 38 38 ARG CD C 13 43.080 0.02 . 1 . . . . . . . . . 4969 1 374 . 1 1 38 38 ARG HD3 H 1 2.541 0.02 . 1 . . . . . . . . . 4969 1 375 . 1 1 38 38 ARG HD2 H 1 2.541 0.02 . 1 . . . . . . . . . 4969 1 376 . 1 1 38 38 ARG NE N 15 83.900 0.02 . 1 . . . . . . . . . 4969 1 377 . 1 1 38 38 ARG HE H 1 7.270 0.02 . 1 . . . . . . . . . 4969 1 378 . 1 1 39 39 GLN N N 15 121.588 0.02 . 1 . . . . . . . . . 4969 1 379 . 1 1 39 39 GLN H H 1 9.245 0.02 . 1 . . . . . . . . . 4969 1 380 . 1 1 39 39 GLN CA C 13 53.053 0.02 . 1 . . . . . . . . . 4969 1 381 . 1 1 39 39 GLN HA H 1 4.878 0.02 . 1 . . . . . . . . . 4969 1 382 . 1 1 39 39 GLN CB C 13 30.451 0.02 . 1 . . . . . . . . . 4969 1 383 . 1 1 39 39 GLN HB3 H 1 1.733 0.02 . 2 . . . . . . . . . 4969 1 384 . 1 1 39 39 GLN HB2 H 1 2.291 0.02 . 2 . . . . . . . . . 4969 1 385 . 1 1 39 39 GLN CG C 13 31.896 0.02 . 1 . . . . . . . . . 4969 1 386 . 1 1 39 39 GLN HG3 H 1 2.138 0.02 . 2 . . . . . . . . . 4969 1 387 . 1 1 39 39 GLN HG2 H 1 2.218 0.02 . 2 . . . . . . . . . 4969 1 388 . 1 1 39 39 GLN NE2 N 15 111.300 0.02 . 1 . . . . . . . . . 4969 1 389 . 1 1 39 39 GLN HE21 H 1 6.750 0.02 . 1 . . . . . . . . . 4969 1 390 . 1 1 39 39 GLN HE22 H 1 7.650 0.02 . 1 . . . . . . . . . 4969 1 391 . 1 1 40 40 ALA N N 15 136.341 0.02 . 1 . . . . . . . . . 4969 1 392 . 1 1 40 40 ALA H H 1 9.523 0.02 . 1 . . . . . . . . . 4969 1 393 . 1 1 40 40 ALA CA C 13 48.259 0.02 . 1 . . . . . . . . . 4969 1 394 . 1 1 40 40 ALA HA H 1 4.842 0.02 . 1 . . . . . . . . . 4969 1 395 . 1 1 40 40 ALA CB C 13 16.598 0.02 . 1 . . . . . . . . . 4969 1 396 . 1 1 40 40 ALA HB1 H 1 1.460 0.02 . 1 . . . . . . . . . 4969 1 397 . 1 1 40 40 ALA HB2 H 1 1.460 0.02 . 1 . . . . . . . . . 4969 1 398 . 1 1 40 40 ALA HB3 H 1 1.460 0.02 . 1 . . . . . . . . . 4969 1 399 . 1 1 41 41 PRO CA C 13 62.402 0.02 . 1 . . . . . . . . . 4969 1 400 . 1 1 41 41 PRO HA H 1 4.315 0.02 . 1 . . . . . . . . . 4969 1 401 . 1 1 41 41 PRO CB C 13 29.693 0.02 . 1 . . . . . . . . . 4969 1 402 . 1 1 41 41 PRO HB3 H 1 1.909 0.02 . 2 . . . . . . . . . 4969 1 403 . 1 1 41 41 PRO HB2 H 1 2.258 0.02 . 2 . . . . . . . . . 4969 1 404 . 1 1 41 41 PRO CG C 13 25.954 0.02 . 1 . . . . . . . . . 4969 1 405 . 1 1 41 41 PRO HG3 H 1 1.995 0.02 . 2 . . . . . . . . . 4969 1 406 . 1 1 41 41 PRO HG2 H 1 2.134 0.02 . 2 . . . . . . . . . 4969 1 407 . 1 1 41 41 PRO CD C 13 48.559 0.02 . 1 . . . . . . . . . 4969 1 408 . 1 1 41 41 PRO HD3 H 1 3.650 0.02 . 2 . . . . . . . . . 4969 1 409 . 1 1 41 41 PRO HD2 H 1 3.812 0.02 . 2 . . . . . . . . . 4969 1 410 . 1 1 42 42 GLY N N 15 112.368 0.02 . 1 . . . . . . . . . 4969 1 411 . 1 1 42 42 GLY H H 1 8.683 0.02 . 1 . . . . . . . . . 4969 1 412 . 1 1 42 42 GLY CA C 13 44.011 0.02 . 1 . . . . . . . . . 4969 1 413 . 1 1 42 42 GLY HA3 H 1 3.749 0.02 . 2 . . . . . . . . . 4969 1 414 . 1 1 42 42 GLY HA2 H 1 4.125 0.02 . 2 . . . . . . . . . 4969 1 415 . 1 1 43 43 LYS N N 15 119.773 0.02 . 1 . . . . . . . . . 4969 1 416 . 1 1 43 43 LYS H H 1 7.927 0.02 . 1 . . . . . . . . . 4969 1 417 . 1 1 43 43 LYS CA C 13 52.732 0.02 . 1 . . . . . . . . . 4969 1 418 . 1 1 43 43 LYS HA H 1 4.751 0.02 . 1 . . . . . . . . . 4969 1 419 . 1 1 43 43 LYS CB C 13 33.662 0.02 . 1 . . . . . . . . . 4969 1 420 . 1 1 43 43 LYS HB3 H 1 1.960 0.02 . 2 . . . . . . . . . 4969 1 421 . 1 1 43 43 LYS HB2 H 1 2.030 0.02 . 2 . . . . . . . . . 4969 1 422 . 1 1 43 43 LYS CG C 13 23.475 0.02 . 1 . . . . . . . . . 4969 1 423 . 1 1 43 43 LYS HG3 H 1 1.301 0.02 . 2 . . . . . . . . . 4969 1 424 . 1 1 43 43 LYS HG2 H 1 1.422 0.02 . 2 . . . . . . . . . 4969 1 425 . 1 1 43 43 LYS CD C 13 27.105 0.02 . 1 . . . . . . . . . 4969 1 426 . 1 1 43 43 LYS HD3 H 1 1.636 0.02 . 2 . . . . . . . . . 4969 1 427 . 1 1 43 43 LYS HD2 H 1 1.687 0.02 . 2 . . . . . . . . . 4969 1 428 . 1 1 43 43 LYS CE C 13 40.951 0.02 . 1 . . . . . . . . . 4969 1 429 . 1 1 43 43 LYS HE3 H 1 2.998 0.02 . 1 . . . . . . . . . 4969 1 430 . 1 1 43 43 LYS HE2 H 1 2.998 0.02 . 1 . . . . . . . . . 4969 1 431 . 1 1 44 44 GLY N N 15 106.277 0.02 . 1 . . . . . . . . . 4969 1 432 . 1 1 44 44 GLY H H 1 8.191 0.02 . 1 . . . . . . . . . 4969 1 433 . 1 1 44 44 GLY CA C 13 42.414 0.02 . 1 . . . . . . . . . 4969 1 434 . 1 1 44 44 GLY HA3 H 1 3.736 0.02 . 2 . . . . . . . . . 4969 1 435 . 1 1 44 44 GLY HA2 H 1 4.226 0.02 . 2 . . . . . . . . . 4969 1 436 . 1 1 45 45 LEU N N 15 120.856 0.02 . 1 . . . . . . . . . 4969 1 437 . 1 1 45 45 LEU H H 1 8.174 0.02 . 1 . . . . . . . . . 4969 1 438 . 1 1 45 45 LEU CA C 13 54.202 0.02 . 1 . . . . . . . . . 4969 1 439 . 1 1 45 45 LEU HA H 1 4.210 0.02 . 1 . . . . . . . . . 4969 1 440 . 1 1 45 45 LEU CB C 13 41.150 0.02 . 1 . . . . . . . . . 4969 1 441 . 1 1 45 45 LEU HB3 H 1 1.215 0.02 . 2 . . . . . . . . . 4969 1 442 . 1 1 45 45 LEU HB2 H 1 1.400 0.02 . 2 . . . . . . . . . 4969 1 443 . 1 1 45 45 LEU CG C 13 25.165 0.02 . 1 . . . . . . . . . 4969 1 444 . 1 1 45 45 LEU HG H 1 1.262 0.02 . 1 . . . . . . . . . 4969 1 445 . 1 1 45 45 LEU CD1 C 13 22.639 0.02 . 1 . . . . . . . . . 4969 1 446 . 1 1 45 45 LEU HD11 H 1 0.321 0.02 . 1 . . . . . . . . . 4969 1 447 . 1 1 45 45 LEU HD12 H 1 0.321 0.02 . 1 . . . . . . . . . 4969 1 448 . 1 1 45 45 LEU HD13 H 1 0.321 0.02 . 1 . . . . . . . . . 4969 1 449 . 1 1 45 45 LEU CD2 C 13 22.639 0.02 . 1 . . . . . . . . . 4969 1 450 . 1 1 45 45 LEU HD21 H 1 0.321 0.02 . 1 . . . . . . . . . 4969 1 451 . 1 1 45 45 LEU HD22 H 1 0.321 0.02 . 1 . . . . . . . . . 4969 1 452 . 1 1 45 45 LEU HD23 H 1 0.321 0.02 . 1 . . . . . . . . . 4969 1 453 . 1 1 46 46 GLU N N 15 125.481 0.02 . 1 . . . . . . . . . 4969 1 454 . 1 1 46 46 GLU H H 1 9.377 0.02 . 1 . . . . . . . . . 4969 1 455 . 1 1 46 46 GLU CA C 13 52.573 0.02 . 1 . . . . . . . . . 4969 1 456 . 1 1 46 46 GLU HA H 1 4.774 0.02 . 1 . . . . . . . . . 4969 1 457 . 1 1 46 46 GLU CB C 13 31.416 0.02 . 1 . . . . . . . . . 4969 1 458 . 1 1 46 46 GLU HB3 H 1 1.859 0.02 . 2 . . . . . . . . . 4969 1 459 . 1 1 46 46 GLU HB2 H 1 2.056 0.02 . 2 . . . . . . . . . 4969 1 460 . 1 1 46 46 GLU CG C 13 34.300 0.02 . 1 . . . . . . . . . 4969 1 461 . 1 1 46 46 GLU HG3 H 1 2.138 0.02 . 2 . . . . . . . . . 4969 1 462 . 1 1 46 46 GLU HG2 H 1 2.242 0.02 . 2 . . . . . . . . . 4969 1 463 . 1 1 47 47 TRP N N 15 127.433 0.02 . 1 . . . . . . . . . 4969 1 464 . 1 1 47 47 TRP H H 1 8.965 0.02 . 1 . . . . . . . . . 4969 1 465 . 1 1 47 47 TRP CA C 13 58.058 0.02 . 1 . . . . . . . . . 4969 1 466 . 1 1 47 47 TRP HA H 1 4.426 0.02 . 1 . . . . . . . . . 4969 1 467 . 1 1 47 47 TRP CB C 13 26.109 0.02 . 1 . . . . . . . . . 4969 1 468 . 1 1 47 47 TRP HB3 H 1 3.214 0.02 . 1 . . . . . . . . . 4969 1 469 . 1 1 47 47 TRP HB2 H 1 3.214 0.02 . 1 . . . . . . . . . 4969 1 470 . 1 1 47 47 TRP HD1 H 1 6.840 0.02 . 1 . . . . . . . . . 4969 1 471 . 1 1 47 47 TRP NE1 N 15 132.600 0.02 . 1 . . . . . . . . . 4969 1 472 . 1 1 47 47 TRP HE1 H 1 10.410 0.02 . 1 . . . . . . . . . 4969 1 473 . 1 1 47 47 TRP HZ2 H 1 7.060 0.02 . 1 . . . . . . . . . 4969 1 474 . 1 1 47 47 TRP HH2 H 1 6.830 0.02 . 1 . . . . . . . . . 4969 1 475 . 1 1 47 47 TRP HZ3 H 1 7.290 0.02 . 1 . . . . . . . . . 4969 1 476 . 1 1 47 47 TRP HE3 H 1 7.480 0.02 . 1 . . . . . . . . . 4969 1 477 . 1 1 48 48 VAL N N 15 122.759 0.02 . 1 . . . . . . . . . 4969 1 478 . 1 1 48 48 VAL H H 1 7.913 0.02 . 1 . . . . . . . . . 4969 1 479 . 1 1 48 48 VAL CA C 13 61.379 0.02 . 1 . . . . . . . . . 4969 1 480 . 1 1 48 48 VAL HA H 1 3.901 0.02 . 1 . . . . . . . . . 4969 1 481 . 1 1 48 48 VAL CB C 13 31.968 0.02 . 1 . . . . . . . . . 4969 1 482 . 1 1 48 48 VAL HB H 1 1.964 0.02 . 1 . . . . . . . . . 4969 1 483 . 1 1 48 48 VAL CG2 C 13 18.957 0.02 . 2 . . . . . . . . . 4969 1 484 . 1 1 48 48 VAL HG21 H 1 0.865 0.02 . 2 . . . . . . . . . 4969 1 485 . 1 1 48 48 VAL HG22 H 1 0.865 0.02 . 2 . . . . . . . . . 4969 1 486 . 1 1 48 48 VAL HG23 H 1 0.865 0.02 . 2 . . . . . . . . . 4969 1 487 . 1 1 48 48 VAL CG1 C 13 21.100 0.02 . 1 . . . . . . . . . 4969 1 488 . 1 1 48 48 VAL HG11 H 1 0.984 0.02 . 2 . . . . . . . . . 4969 1 489 . 1 1 48 48 VAL HG12 H 1 0.984 0.02 . 2 . . . . . . . . . 4969 1 490 . 1 1 48 48 VAL HG13 H 1 0.984 0.02 . 2 . . . . . . . . . 4969 1 491 . 1 1 49 49 SER N N 15 108.747 0.02 . 1 . . . . . . . . . 4969 1 492 . 1 1 49 49 SER H H 1 7.141 0.02 . 1 . . . . . . . . . 4969 1 493 . 1 1 49 49 SER CA C 13 55.471 0.02 . 1 . . . . . . . . . 4969 1 494 . 1 1 49 49 SER HA H 1 4.920 0.02 . 1 . . . . . . . . . 4969 1 495 . 1 1 49 49 SER CB C 13 64.031 0.02 . 1 . . . . . . . . . 4969 1 496 . 1 1 49 49 SER HB3 H 1 3.539 0.02 . 2 . . . . . . . . . 4969 1 497 . 1 1 49 49 SER HB2 H 1 3.816 0.02 . 2 . . . . . . . . . 4969 1 498 . 1 1 49 49 SER HG H 1 6.950 0.02 . 1 . . . . . . . . . 4969 1 499 . 1 1 50 50 THR N N 15 120.315 0.02 . 1 . . . . . . . . . 4969 1 500 . 1 1 50 50 THR H H 1 8.835 0.02 . 1 . . . . . . . . . 4969 1 501 . 1 1 50 50 THR CA C 13 59.655 0.02 . 1 . . . . . . . . . 4969 1 502 . 1 1 50 50 THR HA H 1 5.561 0.02 . 1 . . . . . . . . . 4969 1 503 . 1 1 50 50 THR CB C 13 71.183 0.02 . 1 . . . . . . . . . 4969 1 504 . 1 1 50 50 THR HB H 1 4.118 0.02 . 1 . . . . . . . . . 4969 1 505 . 1 1 50 50 THR CG2 C 13 21.766 0.02 . 1 . . . . . . . . . 4969 1 506 . 1 1 50 50 THR HG21 H 1 1.179 0.02 . 1 . . . . . . . . . 4969 1 507 . 1 1 50 50 THR HG22 H 1 1.179 0.02 . 1 . . . . . . . . . 4969 1 508 . 1 1 50 50 THR HG23 H 1 1.179 0.02 . 1 . . . . . . . . . 4969 1 509 . 1 1 51 51 ILE N N 15 122.875 0.02 . 1 . . . . . . . . . 4969 1 510 . 1 1 51 51 ILE H H 1 9.381 0.02 . 1 . . . . . . . . . 4969 1 511 . 1 1 51 51 ILE CA C 13 57.078 0.02 . 1 . . . . . . . . . 4969 1 512 . 1 1 51 51 ILE HA H 1 5.245 0.02 . 1 . . . . . . . . . 4969 1 513 . 1 1 51 51 ILE CB C 13 40.376 0.02 . 1 . . . . . . . . . 4969 1 514 . 1 1 51 51 ILE HB H 1 1.632 0.02 . 1 . . . . . . . . . 4969 1 515 . 1 1 51 51 ILE CG1 C 13 26.920 0.02 . 2 . . . . . . . . . 4969 1 516 . 1 1 51 51 ILE HG13 H 1 1.080 0.02 . 4 . . . . . . . . . 4969 1 517 . 1 1 51 51 ILE HG12 H 1 1.645 0.02 . 4 . . . . . . . . . 4969 1 518 . 1 1 51 51 ILE CD1 C 13 12.883 0.02 . 1 . . . . . . . . . 4969 1 519 . 1 1 51 51 ILE HD11 H 1 0.823 0.02 . 1 . . . . . . . . . 4969 1 520 . 1 1 51 51 ILE HD12 H 1 0.823 0.02 . 1 . . . . . . . . . 4969 1 521 . 1 1 51 51 ILE HD13 H 1 0.823 0.02 . 1 . . . . . . . . . 4969 1 522 . 1 1 51 51 ILE CG2 C 13 14.016 0.02 . 2 . . . . . . . . . 4969 1 523 . 1 1 51 51 ILE HG21 H 1 0.961 0.02 . 1 . . . . . . . . . 4969 1 524 . 1 1 51 51 ILE HG22 H 1 0.961 0.02 . 1 . . . . . . . . . 4969 1 525 . 1 1 51 51 ILE HG23 H 1 0.961 0.02 . 1 . . . . . . . . . 4969 1 526 . 1 1 52 52 ASN N N 15 127.299 0.02 . 1 . . . . . . . . . 4969 1 527 . 1 1 52 52 ASN H H 1 8.491 0.02 . 1 . . . . . . . . . 4969 1 528 . 1 1 52 52 ASN CA C 13 49.130 0.02 . 1 . . . . . . . . . 4969 1 529 . 1 1 52 52 ASN HA H 1 4.649 0.02 . 1 . . . . . . . . . 4969 1 530 . 1 1 52 52 ASN CB C 13 36.639 0.02 . 1 . . . . . . . . . 4969 1 531 . 1 1 52 52 ASN HB3 H 1 2.709 0.02 . 2 . . . . . . . . . 4969 1 532 . 1 1 52 52 ASN HB2 H 1 3.106 0.02 . 2 . . . . . . . . . 4969 1 533 . 1 1 52 52 ASN ND2 N 15 111.380 0.02 . 1 . . . . . . . . . 4969 1 534 . 1 1 52 52 ASN HD21 H 1 6.910 0.02 . 1 . . . . . . . . . 4969 1 535 . 1 1 52 52 ASN HD22 H 1 7.870 0.02 . 1 . . . . . . . . . 4969 1 536 . 1 1 53 53 PRO CA C 13 62.100 0.02 . 1 . . . . . . . . . 4969 1 537 . 1 1 53 53 PRO HA H 1 4.163 0.02 . 1 . . . . . . . . . 4969 1 538 . 1 1 53 53 PRO CB C 13 30.201 0.02 . 1 . . . . . . . . . 4969 1 539 . 1 1 53 53 PRO HB3 H 1 1.890 0.02 . 1 . . . . . . . . . 4969 1 540 . 1 1 53 53 PRO HB2 H 1 1.890 0.02 . 1 . . . . . . . . . 4969 1 541 . 1 1 53 53 PRO CG C 13 25.144 0.02 . 1 . . . . . . . . . 4969 1 542 . 1 1 53 53 PRO HG3 H 1 1.447 0.02 . 2 . . . . . . . . . 4969 1 543 . 1 1 53 53 PRO HG2 H 1 1.796 0.02 . 2 . . . . . . . . . 4969 1 544 . 1 1 53 53 PRO CD C 13 47.420 0.02 . 1 . . . . . . . . . 4969 1 545 . 1 1 53 53 PRO HD3 H 1 2.863 0.02 . 2 . . . . . . . . . 4969 1 546 . 1 1 53 53 PRO HD2 H 1 3.121 0.02 . 2 . . . . . . . . . 4969 1 547 . 1 1 54 54 GLY N N 15 106.462 0.02 . 1 . . . . . . . . . 4969 1 548 . 1 1 54 54 GLY H H 1 8.380 0.02 . 1 . . . . . . . . . 4969 1 549 . 1 1 54 54 GLY CA C 13 45.181 0.02 . 1 . . . . . . . . . 4969 1 550 . 1 1 54 54 GLY HA3 H 1 3.899 0.02 . 1 . . . . . . . . . 4969 1 551 . 1 1 54 54 GLY HA2 H 1 3.899 0.02 . 1 . . . . . . . . . 4969 1 552 . 1 1 55 55 ASP N N 15 120.194 0.02 . 1 . . . . . . . . . 4969 1 553 . 1 1 55 55 ASP H H 1 7.813 0.02 . 1 . . . . . . . . . 4969 1 554 . 1 1 55 55 ASP CA C 13 51.659 0.02 . 1 . . . . . . . . . 4969 1 555 . 1 1 55 55 ASP HA H 1 4.689 0.02 . 1 . . . . . . . . . 4969 1 556 . 1 1 55 55 ASP CB C 13 39.168 0.02 . 1 . . . . . . . . . 4969 1 557 . 1 1 55 55 ASP HB3 H 1 2.651 0.02 . 2 . . . . . . . . . 4969 1 558 . 1 1 55 55 ASP HB2 H 1 2.983 0.02 . 2 . . . . . . . . . 4969 1 559 . 1 1 56 56 GLY N N 15 108.372 0.02 . 1 . . . . . . . . . 4969 1 560 . 1 1 56 56 GLY H H 1 8.031 0.02 . 1 . . . . . . . . . 4969 1 561 . 1 1 56 56 GLY CA C 13 44.374 0.02 . 1 . . . . . . . . . 4969 1 562 . 1 1 56 56 GLY HA3 H 1 3.863 0.02 . 2 . . . . . . . . . 4969 1 563 . 1 1 56 56 GLY HA2 H 1 4.025 0.02 . 2 . . . . . . . . . 4969 1 564 . 1 1 57 57 SER N N 15 116.565 0.02 . 1 . . . . . . . . . 4969 1 565 . 1 1 57 57 SER H H 1 8.389 0.02 . 1 . . . . . . . . . 4969 1 566 . 1 1 57 57 SER CA C 13 58.238 0.02 . 1 . . . . . . . . . 4969 1 567 . 1 1 57 57 SER HA H 1 4.334 0.02 . 1 . . . . . . . . . 4969 1 568 . 1 1 57 57 SER CB C 13 62.054 0.02 . 1 . . . . . . . . . 4969 1 569 . 1 1 57 57 SER HB3 H 1 3.894 0.02 . 1 . . . . . . . . . 4969 1 570 . 1 1 57 57 SER HB2 H 1 3.894 0.02 . 1 . . . . . . . . . 4969 1 571 . 1 1 58 58 THR N N 15 109.746 0.02 . 1 . . . . . . . . . 4969 1 572 . 1 1 58 58 THR H H 1 7.786 0.02 . 1 . . . . . . . . . 4969 1 573 . 1 1 58 58 THR CA C 13 57.344 0.02 . 1 . . . . . . . . . 4969 1 574 . 1 1 58 58 THR HA H 1 5.152 0.02 . 1 . . . . . . . . . 4969 1 575 . 1 1 58 58 THR CB C 13 70.945 0.02 . 1 . . . . . . . . . 4969 1 576 . 1 1 58 58 THR HB H 1 3.871 0.02 . 1 . . . . . . . . . 4969 1 577 . 1 1 58 58 THR CG2 C 13 21.346 0.02 . 1 . . . . . . . . . 4969 1 578 . 1 1 58 58 THR HG21 H 1 1.261 0.02 . 1 . . . . . . . . . 4969 1 579 . 1 1 58 58 THR HG22 H 1 1.261 0.02 . 1 . . . . . . . . . 4969 1 580 . 1 1 58 58 THR HG23 H 1 1.261 0.02 . 1 . . . . . . . . . 4969 1 581 . 1 1 59 59 TYR N N 15 118.669 0.02 . 1 . . . . . . . . . 4969 1 582 . 1 1 59 59 TYR H H 1 8.265 0.02 . 1 . . . . . . . . . 4969 1 583 . 1 1 59 59 TYR CA C 13 55.182 0.02 . 1 . . . . . . . . . 4969 1 584 . 1 1 59 59 TYR HA H 1 4.874 0.02 . 1 . . . . . . . . . 4969 1 585 . 1 1 59 59 TYR CB C 13 40.000 0.02 . 1 . . . . . . . . . 4969 1 586 . 1 1 59 59 TYR HB3 H 1 2.836 0.02 . 2 . . . . . . . . . 4969 1 587 . 1 1 59 59 TYR HB2 H 1 3.392 0.02 . 2 . . . . . . . . . 4969 1 588 . 1 1 59 59 TYR HD1 H 1 7.090 0.02 . 1 . . . . . . . . . 4969 1 589 . 1 1 59 59 TYR HE1 H 1 6.810 0.02 . 1 . . . . . . . . . 4969 1 590 . 1 1 59 59 TYR HE2 H 1 6.810 0.02 . 1 . . . . . . . . . 4969 1 591 . 1 1 59 59 TYR HD2 H 1 7.090 0.02 . 1 . . . . . . . . . 4969 1 592 . 1 1 60 60 TYR N N 15 118.976 0.02 . 1 . . . . . . . . . 4969 1 593 . 1 1 60 60 TYR H H 1 8.903 0.02 . 1 . . . . . . . . . 4969 1 594 . 1 1 60 60 TYR CA C 13 56.000 0.02 . 1 . . . . . . . . . 4969 1 595 . 1 1 60 60 TYR HA H 1 4.758 0.02 . 1 . . . . . . . . . 4969 1 596 . 1 1 60 60 TYR CB C 13 41.548 0.02 . 1 . . . . . . . . . 4969 1 597 . 1 1 60 60 TYR HB3 H 1 2.488 0.02 . 2 . . . . . . . . . 4969 1 598 . 1 1 60 60 TYR HB2 H 1 2.944 0.02 . 2 . . . . . . . . . 4969 1 599 . 1 1 60 60 TYR HD1 H 1 7.030 0.02 . 1 . . . . . . . . . 4969 1 600 . 1 1 60 60 TYR HE1 H 1 6.780 0.02 . 1 . . . . . . . . . 4969 1 601 . 1 1 60 60 TYR HE2 H 1 6.780 0.02 . 1 . . . . . . . . . 4969 1 602 . 1 1 60 60 TYR HD2 H 1 7.030 0.02 . 1 . . . . . . . . . 4969 1 603 . 1 1 61 61 ALA N N 15 125.450 0.02 . 1 . . . . . . . . . 4969 1 604 . 1 1 61 61 ALA H H 1 7.623 0.02 . 1 . . . . . . . . . 4969 1 605 . 1 1 61 61 ALA CA C 13 50.455 0.02 . 1 . . . . . . . . . 4969 1 606 . 1 1 61 61 ALA HA H 1 4.411 0.02 . 1 . . . . . . . . . 4969 1 607 . 1 1 61 61 ALA CB C 13 17.400 0.02 . 1 . . . . . . . . . 4969 1 608 . 1 1 61 61 ALA HB1 H 1 1.408 0.02 . 1 . . . . . . . . . 4969 1 609 . 1 1 61 61 ALA HB2 H 1 1.408 0.02 . 1 . . . . . . . . . 4969 1 610 . 1 1 61 61 ALA HB3 H 1 1.408 0.02 . 1 . . . . . . . . . 4969 1 611 . 1 1 62 62 ASP N N 15 122.695 0.02 . 1 . . . . . . . . . 4969 1 612 . 1 1 62 62 ASP H H 1 9.015 0.02 . 1 . . . . . . . . . 4969 1 613 . 1 1 62 62 ASP CA C 13 56.390 0.02 . 1 . . . . . . . . . 4969 1 614 . 1 1 62 62 ASP HA H 1 4.295 0.02 . 1 . . . . . . . . . 4969 1 615 . 1 1 62 62 ASP CB C 13 38.778 0.02 . 1 . . . . . . . . . 4969 1 616 . 1 1 62 62 ASP HB3 H 1 2.713 0.02 . 1 . . . . . . . . . 4969 1 617 . 1 1 62 62 ASP HB2 H 1 2.713 0.02 . 1 . . . . . . . . . 4969 1 618 . 1 1 63 63 SER N N 15 110.206 0.02 . 1 . . . . . . . . . 4969 1 619 . 1 1 63 63 SER H H 1 8.165 0.02 . 1 . . . . . . . . . 4969 1 620 . 1 1 63 63 SER CA C 13 58.238 0.02 . 1 . . . . . . . . . 4969 1 621 . 1 1 63 63 SER HA H 1 4.164 0.02 . 1 . . . . . . . . . 4969 1 622 . 1 1 63 63 SER CB C 13 61.081 0.02 . 1 . . . . . . . . . 4969 1 623 . 1 1 63 63 SER HB3 H 1 3.822 0.02 . 2 . . . . . . . . . 4969 1 624 . 1 1 63 63 SER HB2 H 1 3.873 0.02 . 2 . . . . . . . . . 4969 1 625 . 1 1 64 64 VAL N N 15 111.568 0.02 . 1 . . . . . . . . . 4969 1 626 . 1 1 64 64 VAL H H 1 7.266 0.02 . 1 . . . . . . . . . 4969 1 627 . 1 1 64 64 VAL CA C 13 58.497 0.02 . 1 . . . . . . . . . 4969 1 628 . 1 1 64 64 VAL HA H 1 4.079 0.02 . 1 . . . . . . . . . 4969 1 629 . 1 1 64 64 VAL CB C 13 29.934 0.02 . 1 . . . . . . . . . 4969 1 630 . 1 1 64 64 VAL HB H 1 1.053 0.02 . 1 . . . . . . . . . 4969 1 631 . 1 1 64 64 VAL CG2 C 13 18.800 0.02 . 1 . . . . . . . . . 4969 1 632 . 1 1 64 64 VAL HG21 H 1 0.190 0.02 . 2 . . . . . . . . . 4969 1 633 . 1 1 64 64 VAL HG22 H 1 0.190 0.02 . 2 . . . . . . . . . 4969 1 634 . 1 1 64 64 VAL HG23 H 1 0.190 0.02 . 2 . . . . . . . . . 4969 1 635 . 1 1 64 64 VAL CG1 C 13 17.649 0.02 . 2 . . . . . . . . . 4969 1 636 . 1 1 64 64 VAL HG11 H 1 0.853 0.02 . 2 . . . . . . . . . 4969 1 637 . 1 1 64 64 VAL HG12 H 1 0.853 0.02 . 2 . . . . . . . . . 4969 1 638 . 1 1 64 64 VAL HG13 H 1 0.853 0.02 . 2 . . . . . . . . . 4969 1 639 . 1 1 65 65 LYS N N 15 125.340 0.02 . 1 . . . . . . . . . 4969 1 640 . 1 1 65 65 LYS H H 1 7.285 0.02 . 1 . . . . . . . . . 4969 1 641 . 1 1 65 65 LYS CA C 13 56.681 0.02 . 1 . . . . . . . . . 4969 1 642 . 1 1 65 65 LYS HA H 1 3.623 0.02 . 1 . . . . . . . . . 4969 1 643 . 1 1 65 65 LYS CB C 13 30.612 0.02 . 1 . . . . . . . . . 4969 1 644 . 1 1 65 65 LYS HB3 H 1 1.809 0.02 . 1 . . . . . . . . . 4969 1 645 . 1 1 65 65 LYS HB2 H 1 1.809 0.02 . 1 . . . . . . . . . 4969 1 646 . 1 1 65 65 LYS CG C 13 23.180 0.02 . 1 . . . . . . . . . 4969 1 647 . 1 1 65 65 LYS HG3 H 1 1.422 0.02 . 1 . . . . . . . . . 4969 1 648 . 1 1 65 65 LYS HG2 H 1 1.422 0.02 . 1 . . . . . . . . . 4969 1 649 . 1 1 65 65 LYS CD C 13 27.821 0.02 . 1 . . . . . . . . . 4969 1 650 . 1 1 65 65 LYS HD3 H 1 1.806 0.02 . 1 . . . . . . . . . 4969 1 651 . 1 1 65 65 LYS HD2 H 1 1.806 0.02 . 1 . . . . . . . . . 4969 1 652 . 1 1 65 65 LYS CE C 13 40.414 0.02 . 1 . . . . . . . . . 4969 1 653 . 1 1 65 65 LYS HE3 H 1 3.084 0.02 . 1 . . . . . . . . . 4969 1 654 . 1 1 65 65 LYS HE2 H 1 3.084 0.02 . 1 . . . . . . . . . 4969 1 655 . 1 1 66 66 GLY N N 15 115.908 0.02 . 1 . . . . . . . . . 4969 1 656 . 1 1 66 66 GLY H H 1 9.096 0.02 . 1 . . . . . . . . . 4969 1 657 . 1 1 66 66 GLY CA C 13 43.574 0.02 . 1 . . . . . . . . . 4969 1 658 . 1 1 66 66 GLY HA3 H 1 3.531 0.02 . 2 . . . . . . . . . 4969 1 659 . 1 1 66 66 GLY HA2 H 1 4.264 0.02 . 2 . . . . . . . . . 4969 1 660 . 1 1 67 67 ARG N N 15 116.722 0.02 . 1 . . . . . . . . . 4969 1 661 . 1 1 67 67 ARG H H 1 7.697 0.02 . 1 . . . . . . . . . 4969 1 662 . 1 1 67 67 ARG CA C 13 55.442 0.02 . 1 . . . . . . . . . 4969 1 663 . 1 1 67 67 ARG HA H 1 4.582 0.02 . 1 . . . . . . . . . 4969 1 664 . 1 1 67 67 ARG CB C 13 28.917 0.02 . 1 . . . . . . . . . 4969 1 665 . 1 1 67 67 ARG HB3 H 1 1.625 0.02 . 2 . . . . . . . . . 4969 1 666 . 1 1 67 67 ARG HB2 H 1 2.176 0.02 . 2 . . . . . . . . . 4969 1 667 . 1 1 67 67 ARG CG C 13 26.677 0.02 . 1 . . . . . . . . . 4969 1 668 . 1 1 67 67 ARG HG3 H 1 1.336 0.02 . 2 . . . . . . . . . 4969 1 669 . 1 1 67 67 ARG HG2 H 1 1.440 0.02 . 2 . . . . . . . . . 4969 1 670 . 1 1 67 67 ARG CD C 13 41.142 0.02 . 1 . . . . . . . . . 4969 1 671 . 1 1 67 67 ARG HD3 H 1 3.303 0.02 . 1 . . . . . . . . . 4969 1 672 . 1 1 67 67 ARG HD2 H 1 3.303 0.02 . 1 . . . . . . . . . 4969 1 673 . 1 1 67 67 ARG NE N 15 81.300 0.02 . 1 . . . . . . . . . 4969 1 674 . 1 1 67 67 ARG HE H 1 6.740 0.02 . 1 . . . . . . . . . 4969 1 675 . 1 1 68 68 PHE N N 15 119.585 0.02 . 1 . . . . . . . . . 4969 1 676 . 1 1 68 68 PHE H H 1 7.380 0.02 . 1 . . . . . . . . . 4969 1 677 . 1 1 68 68 PHE CA C 13 50.917 0.02 . 1 . . . . . . . . . 4969 1 678 . 1 1 68 68 PHE HA H 1 5.994 0.02 . 1 . . . . . . . . . 4969 1 679 . 1 1 68 68 PHE CB C 13 38.001 0.02 . 1 . . . . . . . . . 4969 1 680 . 1 1 68 68 PHE HB3 H 1 2.916 0.02 . 1 . . . . . . . . . 4969 1 681 . 1 1 68 68 PHE HB2 H 1 2.916 0.02 . 1 . . . . . . . . . 4969 1 682 . 1 1 68 68 PHE HD1 H 1 6.980 0.02 . 1 . . . . . . . . . 4969 1 683 . 1 1 68 68 PHE HE1 H 1 6.980 0.02 . 1 . . . . . . . . . 4969 1 684 . 1 1 68 68 PHE HZ H 1 6.980 0.02 . 1 . . . . . . . . . 4969 1 685 . 1 1 68 68 PHE HE2 H 1 6.980 0.02 . 1 . . . . . . . . . 4969 1 686 . 1 1 68 68 PHE HD2 H 1 6.980 0.02 . 1 . . . . . . . . . 4969 1 687 . 1 1 69 69 THR N N 15 112.485 0.02 . 1 . . . . . . . . . 4969 1 688 . 1 1 69 69 THR H H 1 8.870 0.02 . 1 . . . . . . . . . 4969 1 689 . 1 1 69 69 THR CA C 13 59.548 0.02 . 1 . . . . . . . . . 4969 1 690 . 1 1 69 69 THR HA H 1 5.183 0.02 . 1 . . . . . . . . . 4969 1 691 . 1 1 69 69 THR CB C 13 70.287 0.02 . 1 . . . . . . . . . 4969 1 692 . 1 1 69 69 THR HB H 1 3.816 0.02 . 1 . . . . . . . . . 4969 1 693 . 1 1 69 69 THR CG2 C 13 20.071 0.02 . 1 . . . . . . . . . 4969 1 694 . 1 1 69 69 THR HG21 H 1 1.178 0.02 . 1 . . . . . . . . . 4969 1 695 . 1 1 69 69 THR HG22 H 1 1.178 0.02 . 1 . . . . . . . . . 4969 1 696 . 1 1 69 69 THR HG23 H 1 1.178 0.02 . 1 . . . . . . . . . 4969 1 697 . 1 1 70 70 ILE N N 15 132.515 0.02 . 1 . . . . . . . . . 4969 1 698 . 1 1 70 70 ILE H H 1 9.251 0.02 . 1 . . . . . . . . . 4969 1 699 . 1 1 70 70 ILE CA C 13 57.458 0.02 . 1 . . . . . . . . . 4969 1 700 . 1 1 70 70 ILE HA H 1 5.345 0.02 . 1 . . . . . . . . . 4969 1 701 . 1 1 70 70 ILE CB C 13 38.998 0.02 . 1 . . . . . . . . . 4969 1 702 . 1 1 70 70 ILE HB H 1 1.987 0.02 . 1 . . . . . . . . . 4969 1 703 . 1 1 70 70 ILE CG1 C 13 27.095 0.02 . 2 . . . . . . . . . 4969 1 704 . 1 1 70 70 ILE HG13 H 1 1.244 0.02 . 9 . . . . . . . . . 4969 1 705 . 1 1 70 70 ILE HG12 H 1 2.211 0.02 . 9 . . . . . . . . . 4969 1 706 . 1 1 70 70 ILE CD1 C 13 13.290 0.02 . 1 . . . . . . . . . 4969 1 707 . 1 1 70 70 ILE HD11 H 1 1.078 0.02 . 1 . . . . . . . . . 4969 1 708 . 1 1 70 70 ILE HD12 H 1 1.078 0.02 . 1 . . . . . . . . . 4969 1 709 . 1 1 70 70 ILE HD13 H 1 1.078 0.02 . 1 . . . . . . . . . 4969 1 710 . 1 1 70 70 ILE CG2 C 13 14.800 0.02 . 1 . . . . . . . . . 4969 1 711 . 1 1 70 70 ILE HG21 H 1 1.030 0.02 . 1 . . . . . . . . . 4969 1 712 . 1 1 70 70 ILE HG22 H 1 1.030 0.02 . 1 . . . . . . . . . 4969 1 713 . 1 1 70 70 ILE HG23 H 1 1.030 0.02 . 1 . . . . . . . . . 4969 1 714 . 1 1 71 71 SER N N 15 117.383 0.02 . 1 . . . . . . . . . 4969 1 715 . 1 1 71 71 SER H H 1 8.503 0.02 . 1 . . . . . . . . . 4969 1 716 . 1 1 71 71 SER CA C 13 56.307 0.02 . 1 . . . . . . . . . 4969 1 717 . 1 1 71 71 SER HA H 1 4.643 0.02 . 1 . . . . . . . . . 4969 1 718 . 1 1 71 71 SER CB C 13 63.771 0.02 . 1 . . . . . . . . . 4969 1 719 . 1 1 71 71 SER HB3 H 1 3.925 0.02 . 1 . . . . . . . . . 4969 1 720 . 1 1 71 71 SER HB2 H 1 3.925 0.02 . 1 . . . . . . . . . 4969 1 721 . 1 1 72 72 ARG N N 15 117.504 0.02 . 1 . . . . . . . . . 4969 1 722 . 1 1 72 72 ARG H H 1 9.063 0.02 . 1 . . . . . . . . . 4969 1 723 . 1 1 72 72 ARG CA C 13 52.700 0.02 . 1 . . . . . . . . . 4969 1 724 . 1 1 72 72 ARG HA H 1 5.410 0.02 . 1 . . . . . . . . . 4969 1 725 . 1 1 72 72 ARG CB C 13 33.500 0.02 . 1 . . . . . . . . . 4969 1 726 . 1 1 72 72 ARG HB3 H 1 1.770 0.02 . 2 . . . . . . . . . 4969 1 727 . 1 1 72 72 ARG HB2 H 1 1.980 0.02 . 2 . . . . . . . . . 4969 1 728 . 1 1 72 72 ARG CG C 13 24.491 0.02 . 1 . . . . . . . . . 4969 1 729 . 1 1 72 72 ARG HG3 H 1 1.620 0.02 . 2 . . . . . . . . . 4969 1 730 . 1 1 72 72 ARG HG2 H 1 1.672 0.02 . 2 . . . . . . . . . 4969 1 731 . 1 1 72 72 ARG CD C 13 42.250 0.02 . 1 . . . . . . . . . 4969 1 732 . 1 1 72 72 ARG HD3 H 1 3.010 0.02 . 2 . . . . . . . . . 4969 1 733 . 1 1 72 72 ARG HD2 H 1 3.260 0.02 . 2 . . . . . . . . . 4969 1 734 . 1 1 72 72 ARG HE H 1 7.260 0.02 . 1 . . . . . . . . . 4969 1 735 . 1 1 73 73 ASP N N 15 122.322 0.02 . 1 . . . . . . . . . 4969 1 736 . 1 1 73 73 ASP H H 1 8.942 0.02 . 1 . . . . . . . . . 4969 1 737 . 1 1 73 73 ASP CA C 13 50.887 0.02 . 1 . . . . . . . . . 4969 1 738 . 1 1 73 73 ASP HA H 1 5.013 0.02 . 1 . . . . . . . . . 4969 1 739 . 1 1 73 73 ASP CB C 13 40.789 0.02 . 1 . . . . . . . . . 4969 1 740 . 1 1 73 73 ASP HB3 H 1 2.672 0.02 . 2 . . . . . . . . . 4969 1 741 . 1 1 73 73 ASP HB2 H 1 3.072 0.02 . 2 . . . . . . . . . 4969 1 742 . 1 1 74 74 ASN CA C 13 53.875 0.02 . 1 . . . . . . . . . 4969 1 743 . 1 1 74 74 ASN HA H 1 4.724 0.02 . 1 . . . . . . . . . 4969 1 744 . 1 1 74 74 ASN CB C 13 36.308 0.02 . 1 . . . . . . . . . 4969 1 745 . 1 1 74 74 ASN HB3 H 1 2.915 0.02 . 2 . . . . . . . . . 4969 1 746 . 1 1 74 74 ASN HB2 H 1 2.998 0.02 . 2 . . . . . . . . . 4969 1 747 . 1 1 74 74 ASN ND2 N 15 111.300 0.02 . 1 . . . . . . . . . 4969 1 748 . 1 1 74 74 ASN HD21 H 1 7.020 0.02 . 1 . . . . . . . . . 4969 1 749 . 1 1 74 74 ASN HD22 H 1 7.670 0.02 . 1 . . . . . . . . . 4969 1 750 . 1 1 75 75 ALA N N 15 122.228 0.02 . 1 . . . . . . . . . 4969 1 751 . 1 1 75 75 ALA H H 1 8.451 0.02 . 1 . . . . . . . . . 4969 1 752 . 1 1 75 75 ALA CA C 13 52.920 0.02 . 1 . . . . . . . . . 4969 1 753 . 1 1 75 75 ALA HA H 1 4.320 0.02 . 1 . . . . . . . . . 4969 1 754 . 1 1 75 75 ALA CB C 13 17.160 0.02 . 1 . . . . . . . . . 4969 1 755 . 1 1 75 75 ALA HB1 H 1 1.551 0.02 . 1 . . . . . . . . . 4969 1 756 . 1 1 75 75 ALA HB2 H 1 1.551 0.02 . 1 . . . . . . . . . 4969 1 757 . 1 1 75 75 ALA HB3 H 1 1.551 0.02 . 1 . . . . . . . . . 4969 1 758 . 1 1 76 76 LYS N N 15 114.299 0.02 . 1 . . . . . . . . . 4969 1 759 . 1 1 76 76 LYS H H 1 7.453 0.02 . 1 . . . . . . . . . 4969 1 760 . 1 1 76 76 LYS CA C 13 53.395 0.02 . 1 . . . . . . . . . 4969 1 761 . 1 1 76 76 LYS HA H 1 4.360 0.02 . 1 . . . . . . . . . 4969 1 762 . 1 1 76 76 LYS CB C 13 31.350 0.02 . 1 . . . . . . . . . 4969 1 763 . 1 1 76 76 LYS HB3 H 1 1.453 0.02 . 2 . . . . . . . . . 4969 1 764 . 1 1 76 76 LYS HB2 H 1 2.003 0.02 . 2 . . . . . . . . . 4969 1 765 . 1 1 76 76 LYS CG C 13 23.700 0.02 . 1 . . . . . . . . . 4969 1 766 . 1 1 76 76 LYS HG3 H 1 1.350 0.02 . 2 . . . . . . . . . 4969 1 767 . 1 1 76 76 LYS HG2 H 1 1.470 0.02 . 2 . . . . . . . . . 4969 1 768 . 1 1 76 76 LYS CD C 13 27.300 0.02 . 1 . . . . . . . . . 4969 1 769 . 1 1 76 76 LYS HD3 H 1 1.660 0.02 . 1 . . . . . . . . . 4969 1 770 . 1 1 76 76 LYS HD2 H 1 1.660 0.02 . 1 . . . . . . . . . 4969 1 771 . 1 1 76 76 LYS CE C 13 40.469 0.02 . 1 . . . . . . . . . 4969 1 772 . 1 1 76 76 LYS HE3 H 1 2.995 0.02 . 1 . . . . . . . . . 4969 1 773 . 1 1 76 76 LYS HE2 H 1 2.995 0.02 . 1 . . . . . . . . . 4969 1 774 . 1 1 77 77 ASN H H 1 7.980 0.02 . 1 . . . . . . . . . 4969 1 775 . 1 1 77 77 ASN CA C 13 52.237 0.02 . 1 . . . . . . . . . 4969 1 776 . 1 1 77 77 ASN HA H 1 3.772 0.02 . 1 . . . . . . . . . 4969 1 777 . 1 1 77 77 ASN CB C 13 36.020 0.02 . 1 . . . . . . . . . 4969 1 778 . 1 1 77 77 ASN HB3 H 1 2.655 0.02 . 2 . . . . . . . . . 4969 1 779 . 1 1 77 77 ASN HB2 H 1 2.847 0.02 . 2 . . . . . . . . . 4969 1 780 . 1 1 77 77 ASN ND2 N 15 112.400 0.02 . 1 . . . . . . . . . 4969 1 781 . 1 1 77 77 ASN HD21 H 1 6.880 0.02 . 1 . . . . . . . . . 4969 1 782 . 1 1 77 77 ASN HD22 H 1 7.250 0.02 . 1 . . . . . . . . . 4969 1 783 . 1 1 78 78 THR N N 15 109.148 0.02 . 1 . . . . . . . . . 4969 1 784 . 1 1 78 78 THR H H 1 7.483 0.02 . 1 . . . . . . . . . 4969 1 785 . 1 1 78 78 THR CA C 13 59.391 0.02 . 1 . . . . . . . . . 4969 1 786 . 1 1 78 78 THR HA H 1 5.087 0.02 . 1 . . . . . . . . . 4969 1 787 . 1 1 78 78 THR CB C 13 70.900 0.02 . 1 . . . . . . . . . 4969 1 788 . 1 1 78 78 THR HB H 1 3.480 0.02 . 1 . . . . . . . . . 4969 1 789 . 1 1 78 78 THR CG2 C 13 19.860 0.02 . 1 . . . . . . . . . 4969 1 790 . 1 1 78 78 THR HG21 H 1 0.658 0.02 . 1 . . . . . . . . . 4969 1 791 . 1 1 78 78 THR HG22 H 1 0.658 0.02 . 1 . . . . . . . . . 4969 1 792 . 1 1 78 78 THR HG23 H 1 0.658 0.02 . 1 . . . . . . . . . 4969 1 793 . 1 1 78 78 THR HG1 H 1 6.680 0.02 . 1 . . . . . . . . . 4969 1 794 . 1 1 79 79 LEU N N 15 127.445 0.02 . 1 . . . . . . . . . 4969 1 795 . 1 1 79 79 LEU H H 1 8.482 0.02 . 1 . . . . . . . . . 4969 1 796 . 1 1 79 79 LEU CA C 13 51.147 0.02 . 1 . . . . . . . . . 4969 1 797 . 1 1 79 79 LEU HA H 1 4.959 0.02 . 1 . . . . . . . . . 4969 1 798 . 1 1 79 79 LEU CB C 13 45.225 0.02 . 1 . . . . . . . . . 4969 1 799 . 1 1 79 79 LEU HB3 H 1 1.094 0.02 . 2 . . . . . . . . . 4969 1 800 . 1 1 79 79 LEU HB2 H 1 1.800 0.02 . 2 . . . . . . . . . 4969 1 801 . 1 1 79 79 LEU CG C 13 26.150 0.02 . 1 . . . . . . . . . 4969 1 802 . 1 1 79 79 LEU HG H 1 1.750 0.02 . 1 . . . . . . . . . 4969 1 803 . 1 1 79 79 LEU CD1 C 13 23.173 0.02 . 2 . . . . . . . . . 4969 1 804 . 1 1 79 79 LEU HD11 H 1 0.920 0.02 . 2 . . . . . . . . . 4969 1 805 . 1 1 79 79 LEU HD12 H 1 0.920 0.02 . 2 . . . . . . . . . 4969 1 806 . 1 1 79 79 LEU HD13 H 1 0.920 0.02 . 2 . . . . . . . . . 4969 1 807 . 1 1 79 79 LEU CD2 C 13 24.673 0.02 . 2 . . . . . . . . . 4969 1 808 . 1 1 79 79 LEU HD21 H 1 0.403 0.02 . 2 . . . . . . . . . 4969 1 809 . 1 1 79 79 LEU HD22 H 1 0.403 0.02 . 2 . . . . . . . . . 4969 1 810 . 1 1 79 79 LEU HD23 H 1 0.403 0.02 . 2 . . . . . . . . . 4969 1 811 . 1 1 80 80 TYR N N 15 121.380 0.02 . 1 . . . . . . . . . 4969 1 812 . 1 1 80 80 TYR H H 1 9.224 0.02 . 1 . . . . . . . . . 4969 1 813 . 1 1 80 80 TYR CA C 13 55.516 0.02 . 1 . . . . . . . . . 4969 1 814 . 1 1 80 80 TYR HA H 1 5.671 0.02 . 1 . . . . . . . . . 4969 1 815 . 1 1 80 80 TYR CB C 13 40.858 0.02 . 1 . . . . . . . . . 4969 1 816 . 1 1 80 80 TYR HB3 H 1 2.761 0.02 . 2 . . . . . . . . . 4969 1 817 . 1 1 80 80 TYR HB2 H 1 2.990 0.02 . 2 . . . . . . . . . 4969 1 818 . 1 1 80 80 TYR HD1 H 1 6.930 0.02 . 1 . . . . . . . . . 4969 1 819 . 1 1 80 80 TYR HE1 H 1 6.780 0.02 . 1 . . . . . . . . . 4969 1 820 . 1 1 80 80 TYR HE2 H 1 6.780 0.02 . 1 . . . . . . . . . 4969 1 821 . 1 1 80 80 TYR HD2 H 1 6.930 0.02 . 1 . . . . . . . . . 4969 1 822 . 1 1 81 81 LEU N N 15 122.854 0.02 . 1 . . . . . . . . . 4969 1 823 . 1 1 81 81 LEU H H 1 8.516 0.02 . 1 . . . . . . . . . 4969 1 824 . 1 1 81 81 LEU CA C 13 52.588 0.02 . 1 . . . . . . . . . 4969 1 825 . 1 1 81 81 LEU HA H 1 4.603 0.02 . 1 . . . . . . . . . 4969 1 826 . 1 1 81 81 LEU CB C 13 39.900 0.02 . 1 . . . . . . . . . 4969 1 827 . 1 1 81 81 LEU HB3 H 1 -0.870 0.02 . 2 . . . . . . . . . 4969 1 828 . 1 1 81 81 LEU HB2 H 1 0.679 0.02 . 2 . . . . . . . . . 4969 1 829 . 1 1 81 81 LEU CG C 13 24.431 0.02 . 1 . . . . . . . . . 4969 1 830 . 1 1 81 81 LEU HG H 1 0.472 0.02 . 1 . . . . . . . . . 4969 1 831 . 1 1 81 81 LEU CD1 C 13 20.500 0.02 . 1 . . . . . . . . . 4969 1 832 . 1 1 81 81 LEU HD11 H 1 0.667 0.02 . 2 . . . . . . . . . 4969 1 833 . 1 1 81 81 LEU HD12 H 1 0.667 0.02 . 2 . . . . . . . . . 4969 1 834 . 1 1 81 81 LEU HD13 H 1 0.667 0.02 . 2 . . . . . . . . . 4969 1 835 . 1 1 81 81 LEU CD2 C 13 23.704 0.02 . 2 . . . . . . . . . 4969 1 836 . 1 1 81 81 LEU HD21 H 1 0.136 0.02 . 2 . . . . . . . . . 4969 1 837 . 1 1 81 81 LEU HD22 H 1 0.136 0.02 . 2 . . . . . . . . . 4969 1 838 . 1 1 81 81 LEU HD23 H 1 0.136 0.02 . 2 . . . . . . . . . 4969 1 839 . 1 1 82 82 GLN N N 15 127.742 0.02 . 1 . . . . . . . . . 4969 1 840 . 1 1 82 82 GLN H H 1 8.872 0.02 . 1 . . . . . . . . . 4969 1 841 . 1 1 82 82 GLN CA C 13 52.913 0.02 . 1 . . . . . . . . . 4969 1 842 . 1 1 82 82 GLN HA H 1 4.193 0.02 . 1 . . . . . . . . . 4969 1 843 . 1 1 82 82 GLN CB C 13 27.700 0.02 . 1 . . . . . . . . . 4969 1 844 . 1 1 82 82 GLN HB3 H 1 1.910 0.02 . 2 . . . . . . . . . 4969 1 845 . 1 1 82 82 GLN HB2 H 1 1.978 0.02 . 2 . . . . . . . . . 4969 1 846 . 1 1 82 82 GLN CG C 13 31.939 0.02 . 1 . . . . . . . . . 4969 1 847 . 1 1 82 82 GLN HG3 H 1 1.870 0.02 . 2 . . . . . . . . . 4969 1 848 . 1 1 82 82 GLN HG2 H 1 2.338 0.02 . 2 . . . . . . . . . 4969 1 849 . 1 1 82 82 GLN NE2 N 15 112.970 0.02 . 1 . . . . . . . . . 4969 1 850 . 1 1 82 82 GLN HE21 H 1 6.870 0.02 . 1 . . . . . . . . . 4969 1 851 . 1 1 82 82 GLN HE22 H 1 6.940 0.02 . 1 . . . . . . . . . 4969 1 852 . 1 1 83 83 MET N N 15 127.511 0.02 . 1 . . . . . . . . . 4969 1 853 . 1 1 83 83 MET H H 1 8.842 0.02 . 1 . . . . . . . . . 4969 1 854 . 1 1 83 83 MET CA C 13 53.197 0.02 . 1 . . . . . . . . . 4969 1 855 . 1 1 83 83 MET HA H 1 3.978 0.02 . 1 . . . . . . . . . 4969 1 856 . 1 1 83 83 MET CB C 13 32.864 0.02 . 1 . . . . . . . . . 4969 1 857 . 1 1 83 83 MET HB3 H 1 0.994 0.02 . 2 . . . . . . . . . 4969 1 858 . 1 1 83 83 MET HB2 H 1 1.780 0.02 . 2 . . . . . . . . . 4969 1 859 . 1 1 83 83 MET CG C 13 29.032 0.02 . 1 . . . . . . . . . 4969 1 860 . 1 1 83 83 MET HG3 H 1 -0.030 0.02 . 2 . . . . . . . . . 4969 1 861 . 1 1 83 83 MET HG2 H 1 1.343 0.02 . 2 . . . . . . . . . 4969 1 862 . 1 1 83 83 MET CE C 13 16.500 0.02 . 1 . . . . . . . . . 4969 1 863 . 1 1 83 83 MET HE1 H 1 0.950 0.02 . 1 . . . . . . . . . 4969 1 864 . 1 1 83 83 MET HE2 H 1 0.950 0.02 . 1 . . . . . . . . . 4969 1 865 . 1 1 83 83 MET HE3 H 1 0.950 0.02 . 1 . . . . . . . . . 4969 1 866 . 1 1 84 84 ASN N N 15 119.764 0.02 . 1 . . . . . . . . . 4969 1 867 . 1 1 84 84 ASN H H 1 7.745 0.02 . 1 . . . . . . . . . 4969 1 868 . 1 1 84 84 ASN CA C 13 49.360 0.02 . 1 . . . . . . . . . 4969 1 869 . 1 1 84 84 ASN HA H 1 5.120 0.02 . 1 . . . . . . . . . 4969 1 870 . 1 1 84 84 ASN CB C 13 39.221 0.02 . 1 . . . . . . . . . 4969 1 871 . 1 1 84 84 ASN HB3 H 1 2.767 0.02 . 2 . . . . . . . . . 4969 1 872 . 1 1 84 84 ASN HB2 H 1 3.089 0.02 . 2 . . . . . . . . . 4969 1 873 . 1 1 84 84 ASN ND2 N 15 113.060 0.02 . 1 . . . . . . . . . 4969 1 874 . 1 1 84 84 ASN HD21 H 1 6.750 0.02 . 1 . . . . . . . . . 4969 1 875 . 1 1 84 84 ASN HD22 H 1 7.340 0.02 . 1 . . . . . . . . . 4969 1 876 . 1 1 85 85 SER N N 15 111.034 0.02 . 1 . . . . . . . . . 4969 1 877 . 1 1 85 85 SER H H 1 8.500 0.02 . 1 . . . . . . . . . 4969 1 878 . 1 1 85 85 SER CA C 13 56.000 0.02 . 1 . . . . . . . . . 4969 1 879 . 1 1 85 85 SER HA H 1 3.640 0.02 . 1 . . . . . . . . . 4969 1 880 . 1 1 85 85 SER CB C 13 60.200 0.02 . 1 . . . . . . . . . 4969 1 881 . 1 1 85 85 SER HB3 H 1 4.040 0.02 . 2 . . . . . . . . . 4969 1 882 . 1 1 85 85 SER HB2 H 1 3.700 0.02 . 2 . . . . . . . . . 4969 1 883 . 1 1 86 86 LEU N N 15 119.141 0.02 . 1 . . . . . . . . . 4969 1 884 . 1 1 86 86 LEU H H 1 8.158 0.02 . 1 . . . . . . . . . 4969 1 885 . 1 1 86 86 LEU CA C 13 55.154 0.02 . 1 . . . . . . . . . 4969 1 886 . 1 1 86 86 LEU HA H 1 3.910 0.02 . 1 . . . . . . . . . 4969 1 887 . 1 1 86 86 LEU CB C 13 41.172 0.02 . 1 . . . . . . . . . 4969 1 888 . 1 1 86 86 LEU HB3 H 1 1.256 0.02 . 2 . . . . . . . . . 4969 1 889 . 1 1 86 86 LEU HB2 H 1 1.424 0.02 . 2 . . . . . . . . . 4969 1 890 . 1 1 86 86 LEU CG C 13 26.584 0.02 . 1 . . . . . . . . . 4969 1 891 . 1 1 86 86 LEU HG H 1 1.276 0.02 . 1 . . . . . . . . . 4969 1 892 . 1 1 86 86 LEU CD1 C 13 22.977 0.02 . 2 . . . . . . . . . 4969 1 893 . 1 1 86 86 LEU HD11 H 1 0.908 0.02 . 2 . . . . . . . . . 4969 1 894 . 1 1 86 86 LEU HD12 H 1 0.908 0.02 . 2 . . . . . . . . . 4969 1 895 . 1 1 86 86 LEU HD13 H 1 0.908 0.02 . 2 . . . . . . . . . 4969 1 896 . 1 1 86 86 LEU CD2 C 13 25.056 0.02 . 2 . . . . . . . . . 4969 1 897 . 1 1 86 86 LEU HD21 H 1 0.509 0.02 . 2 . . . . . . . . . 4969 1 898 . 1 1 86 86 LEU HD22 H 1 0.509 0.02 . 2 . . . . . . . . . 4969 1 899 . 1 1 86 86 LEU HD23 H 1 0.509 0.02 . 2 . . . . . . . . . 4969 1 900 . 1 1 87 87 LYS N N 15 120.853 0.02 . 1 . . . . . . . . . 4969 1 901 . 1 1 87 87 LYS H H 1 9.514 0.02 . 1 . . . . . . . . . 4969 1 902 . 1 1 87 87 LYS CA C 13 52.230 0.02 . 1 . . . . . . . . . 4969 1 903 . 1 1 87 87 LYS HA H 1 4.789 0.02 . 1 . . . . . . . . . 4969 1 904 . 1 1 87 87 LYS CB C 13 34.793 0.02 . 1 . . . . . . . . . 4969 1 905 . 1 1 87 87 LYS HB3 H 1 1.639 0.02 . 2 . . . . . . . . . 4969 1 906 . 1 1 87 87 LYS HB2 H 1 2.149 0.02 . 2 . . . . . . . . . 4969 1 907 . 1 1 87 87 LYS CG C 13 22.974 0.02 . 1 . . . . . . . . . 4969 1 908 . 1 1 87 87 LYS HG3 H 1 1.504 0.02 . 1 . . . . . . . . . 4969 1 909 . 1 1 87 87 LYS HG2 H 1 1.504 0.02 . 1 . . . . . . . . . 4969 1 910 . 1 1 87 87 LYS CD C 13 27.821 0.02 . 1 . . . . . . . . . 4969 1 911 . 1 1 87 87 LYS HD3 H 1 1.620 0.02 . 1 . . . . . . . . . 4969 1 912 . 1 1 87 87 LYS HD2 H 1 1.620 0.02 . 1 . . . . . . . . . 4969 1 913 . 1 1 87 87 LYS CE C 13 40.416 0.02 . 1 . . . . . . . . . 4969 1 914 . 1 1 87 87 LYS HE3 H 1 2.880 0.02 . 1 . . . . . . . . . 4969 1 915 . 1 1 87 87 LYS HE2 H 1 2.880 0.02 . 1 . . . . . . . . . 4969 1 916 . 1 1 88 88 SER N N 15 118.453 0.02 . 1 . . . . . . . . . 4969 1 917 . 1 1 88 88 SER H H 1 9.127 0.02 . 1 . . . . . . . . . 4969 1 918 . 1 1 88 88 SER CA C 13 60.944 0.02 . 1 . . . . . . . . . 4969 1 919 . 1 1 88 88 SER HA H 1 4.133 0.02 . 1 . . . . . . . . . 4969 1 920 . 1 1 88 88 SER CB C 13 61.155 0.02 . 1 . . . . . . . . . 4969 1 921 . 1 1 88 88 SER HB3 H 1 3.940 0.02 . 1 . . . . . . . . . 4969 1 922 . 1 1 88 88 SER HB2 H 1 3.940 0.02 . 1 . . . . . . . . . 4969 1 923 . 1 1 89 89 GLU N N 15 118.101 0.02 . 1 . . . . . . . . . 4969 1 924 . 1 1 89 89 GLU H H 1 9.184 0.02 . 1 . . . . . . . . . 4969 1 925 . 1 1 89 89 GLU CA C 13 56.973 0.02 . 1 . . . . . . . . . 4969 1 926 . 1 1 89 89 GLU HA H 1 4.295 0.02 . 1 . . . . . . . . . 4969 1 927 . 1 1 89 89 GLU CB C 13 26.885 0.02 . 1 . . . . . . . . . 4969 1 928 . 1 1 89 89 GLU HB3 H 1 2.007 0.02 . 2 . . . . . . . . . 4969 1 929 . 1 1 89 89 GLU HB2 H 1 2.109 0.02 . 2 . . . . . . . . . 4969 1 930 . 1 1 89 89 GLU CG C 13 34.900 0.02 . 1 . . . . . . . . . 4969 1 931 . 1 1 89 89 GLU HG3 H 1 2.240 0.02 . 2 . . . . . . . . . 4969 1 932 . 1 1 89 89 GLU HG2 H 1 2.290 0.02 . 2 . . . . . . . . . 4969 1 933 . 1 1 90 90 ASP N N 15 117.533 0.02 . 1 . . . . . . . . . 4969 1 934 . 1 1 90 90 ASP H H 1 8.431 0.02 . 1 . . . . . . . . . 4969 1 935 . 1 1 90 90 ASP CA C 13 53.280 0.02 . 1 . . . . . . . . . 4969 1 936 . 1 1 90 90 ASP HA H 1 4.758 0.02 . 1 . . . . . . . . . 4969 1 937 . 1 1 90 90 ASP CB C 13 40.623 0.02 . 1 . . . . . . . . . 4969 1 938 . 1 1 90 90 ASP HB3 H 1 2.828 0.02 . 2 . . . . . . . . . 4969 1 939 . 1 1 90 90 ASP HB2 H 1 3.060 0.02 . 2 . . . . . . . . . 4969 1 940 . 1 1 91 91 THR N N 15 120.094 0.02 . 1 . . . . . . . . . 4969 1 941 . 1 1 91 91 THR H H 1 7.794 0.02 . 1 . . . . . . . . . 4969 1 942 . 1 1 91 91 THR CA C 13 62.811 0.02 . 1 . . . . . . . . . 4969 1 943 . 1 1 91 91 THR HA H 1 4.463 0.02 . 1 . . . . . . . . . 4969 1 944 . 1 1 91 91 THR CB C 13 68.098 0.02 . 1 . . . . . . . . . 4969 1 945 . 1 1 91 91 THR HB H 1 4.388 0.02 . 1 . . . . . . . . . 4969 1 946 . 1 1 91 91 THR CG2 C 13 20.367 0.02 . 1 . . . . . . . . . 4969 1 947 . 1 1 91 91 THR HG21 H 1 1.506 0.02 . 1 . . . . . . . . . 4969 1 948 . 1 1 91 91 THR HG22 H 1 1.506 0.02 . 1 . . . . . . . . . 4969 1 949 . 1 1 91 91 THR HG23 H 1 1.506 0.02 . 1 . . . . . . . . . 4969 1 950 . 1 1 91 91 THR HG1 H 1 5.828 0.02 . 1 . . . . . . . . . 4969 1 951 . 1 1 92 92 ALA N N 15 127.832 0.02 . 1 . . . . . . . . . 4969 1 952 . 1 1 92 92 ALA H H 1 9.084 0.02 . 1 . . . . . . . . . 4969 1 953 . 1 1 92 92 ALA CA C 13 50.890 0.02 . 1 . . . . . . . . . 4969 1 954 . 1 1 92 92 ALA HA H 1 4.519 0.02 . 1 . . . . . . . . . 4969 1 955 . 1 1 92 92 ALA CB C 13 19.800 0.02 . 1 . . . . . . . . . 4969 1 956 . 1 1 92 92 ALA HB1 H 1 1.122 0.02 . 1 . . . . . . . . . 4969 1 957 . 1 1 92 92 ALA HB2 H 1 1.122 0.02 . 1 . . . . . . . . . 4969 1 958 . 1 1 92 92 ALA HB3 H 1 1.122 0.02 . 1 . . . . . . . . . 4969 1 959 . 1 1 93 93 VAL N N 15 118.437 0.02 . 1 . . . . . . . . . 4969 1 960 . 1 1 93 93 VAL H H 1 7.764 0.02 . 1 . . . . . . . . . 4969 1 961 . 1 1 93 93 VAL CA C 13 60.832 0.02 . 1 . . . . . . . . . 4969 1 962 . 1 1 93 93 VAL HA H 1 4.403 0.02 . 1 . . . . . . . . . 4969 1 963 . 1 1 93 93 VAL CB C 13 30.137 0.02 . 1 . . . . . . . . . 4969 1 964 . 1 1 93 93 VAL HB H 1 1.979 0.02 . 1 . . . . . . . . . 4969 1 965 . 1 1 93 93 VAL CG2 C 13 19.829 0.02 . 2 . . . . . . . . . 4969 1 966 . 1 1 93 93 VAL HG21 H 1 0.377 0.02 . 2 . . . . . . . . . 4969 1 967 . 1 1 93 93 VAL HG22 H 1 0.377 0.02 . 2 . . . . . . . . . 4969 1 968 . 1 1 93 93 VAL HG23 H 1 0.377 0.02 . 2 . . . . . . . . . 4969 1 969 . 1 1 93 93 VAL CG1 C 13 20.303 0.02 . 2 . . . . . . . . . 4969 1 970 . 1 1 93 93 VAL HG11 H 1 0.939 0.02 . 2 . . . . . . . . . 4969 1 971 . 1 1 93 93 VAL HG12 H 1 0.939 0.02 . 2 . . . . . . . . . 4969 1 972 . 1 1 93 93 VAL HG13 H 1 0.939 0.02 . 2 . . . . . . . . . 4969 1 973 . 1 1 94 94 TYR N N 15 127.120 0.02 . 1 . . . . . . . . . 4969 1 974 . 1 1 94 94 TYR H H 1 9.136 0.02 . 1 . . . . . . . . . 4969 1 975 . 1 1 94 94 TYR CA C 13 56.744 0.02 . 1 . . . . . . . . . 4969 1 976 . 1 1 94 94 TYR HA H 1 4.912 0.02 . 1 . . . . . . . . . 4969 1 977 . 1 1 94 94 TYR CB C 13 38.446 0.02 . 1 . . . . . . . . . 4969 1 978 . 1 1 94 94 TYR HB3 H 1 2.880 0.02 . 2 . . . . . . . . . 4969 1 979 . 1 1 94 94 TYR HB2 H 1 2.920 0.02 . 2 . . . . . . . . . 4969 1 980 . 1 1 94 94 TYR HD1 H 1 6.940 0.02 . 1 . . . . . . . . . 4969 1 981 . 1 1 94 94 TYR HE1 H 1 6.740 0.02 . 1 . . . . . . . . . 4969 1 982 . 1 1 94 94 TYR HH H 1 10.250 0.02 . 1 . . . . . . . . . 4969 1 983 . 1 1 94 94 TYR HE2 H 1 6.740 0.02 . 1 . . . . . . . . . 4969 1 984 . 1 1 94 94 TYR HD2 H 1 6.940 0.02 . 1 . . . . . . . . . 4969 1 985 . 1 1 95 95 TYR N N 15 118.055 0.02 . 1 . . . . . . . . . 4969 1 986 . 1 1 95 95 TYR H H 1 9.396 0.02 . 1 . . . . . . . . . 4969 1 987 . 1 1 95 95 TYR CA C 13 54.487 0.02 . 1 . . . . . . . . . 4969 1 988 . 1 1 95 95 TYR HA H 1 4.922 0.02 . 1 . . . . . . . . . 4969 1 989 . 1 1 95 95 TYR CB C 13 39.756 0.02 . 1 . . . . . . . . . 4969 1 990 . 1 1 95 95 TYR HB3 H 1 2.490 0.02 . 2 . . . . . . . . . 4969 1 991 . 1 1 95 95 TYR HB2 H 1 3.144 0.02 . 2 . . . . . . . . . 4969 1 992 . 1 1 95 95 TYR HD1 H 1 6.890 0.02 . 1 . . . . . . . . . 4969 1 993 . 1 1 95 95 TYR HE1 H 1 6.780 0.02 . 1 . . . . . . . . . 4969 1 994 . 1 1 95 95 TYR HE2 H 1 6.780 0.02 . 1 . . . . . . . . . 4969 1 995 . 1 1 95 95 TYR HD2 H 1 6.890 0.02 . 1 . . . . . . . . . 4969 1 996 . 1 1 96 96 CYS N N 15 118.573 0.02 . 1 . . . . . . . . . 4969 1 997 . 1 1 96 96 CYS H H 1 8.881 0.02 . 1 . . . . . . . . . 4969 1 998 . 1 1 96 96 CYS CA C 13 51.706 0.02 . 1 . . . . . . . . . 4969 1 999 . 1 1 96 96 CYS HA H 1 4.951 0.02 . 1 . . . . . . . . . 4969 1 1000 . 1 1 96 96 CYS CB C 13 43.064 0.02 . 1 . . . . . . . . . 4969 1 1001 . 1 1 96 96 CYS HB3 H 1 1.817 0.02 . 2 . . . . . . . . . 4969 1 1002 . 1 1 96 96 CYS HB2 H 1 2.381 0.02 . 2 . . . . . . . . . 4969 1 1003 . 1 1 97 97 ALA N N 15 119.606 0.02 . 1 . . . . . . . . . 4969 1 1004 . 1 1 97 97 ALA H H 1 8.581 0.02 . 1 . . . . . . . . . 4969 1 1005 . 1 1 97 97 ALA CA C 13 49.471 0.02 . 1 . . . . . . . . . 4969 1 1006 . 1 1 97 97 ALA HA H 1 4.833 0.02 . 1 . . . . . . . . . 4969 1 1007 . 1 1 97 97 ALA CB C 13 22.150 0.02 . 1 . . . . . . . . . 4969 1 1008 . 1 1 97 97 ALA HB1 H 1 1.131 0.02 . 1 . . . . . . . . . 4969 1 1009 . 1 1 97 97 ALA HB2 H 1 1.131 0.02 . 1 . . . . . . . . . 4969 1 1010 . 1 1 97 97 ALA HB3 H 1 1.131 0.02 . 1 . . . . . . . . . 4969 1 1011 . 1 1 98 98 LYS N N 15 120.570 0.02 . 1 . . . . . . . . . 4969 1 1012 . 1 1 98 98 LYS H H 1 8.123 0.02 . 1 . . . . . . . . . 4969 1 1013 . 1 1 98 98 LYS CA C 13 53.453 0.02 . 1 . . . . . . . . . 4969 1 1014 . 1 1 98 98 LYS HA H 1 5.098 0.02 . 1 . . . . . . . . . 4969 1 1015 . 1 1 98 98 LYS CB C 13 33.595 0.02 . 1 . . . . . . . . . 4969 1 1016 . 1 1 98 98 LYS HB3 H 1 1.383 0.02 . 2 . . . . . . . . . 4969 1 1017 . 1 1 98 98 LYS HB2 H 1 1.477 0.02 . 2 . . . . . . . . . 4969 1 1018 . 1 1 98 98 LYS CG C 13 22.493 0.02 . 1 . . . . . . . . . 4969 1 1019 . 1 1 98 98 LYS HG3 H 1 1.016 0.02 . 1 . . . . . . . . . 4969 1 1020 . 1 1 98 98 LYS HG2 H 1 1.016 0.02 . 1 . . . . . . . . . 4969 1 1021 . 1 1 98 98 LYS CD C 13 27.821 0.02 . 1 . . . . . . . . . 4969 1 1022 . 1 1 98 98 LYS HD3 H 1 0.480 0.02 . 2 . . . . . . . . . 4969 1 1023 . 1 1 98 98 LYS HD2 H 1 0.680 0.02 . 2 . . . . . . . . . 4969 1 1024 . 1 1 98 98 LYS CE C 13 39.196 0.02 . 1 . . . . . . . . . 4969 1 1025 . 1 1 98 98 LYS HE3 H 1 1.700 0.02 . 2 . . . . . . . . . 4969 1 1026 . 1 1 98 98 LYS HE2 H 1 1.920 0.02 . 2 . . . . . . . . . 4969 1 1027 . 1 1 99 99 TYR N N 15 125.351 0.02 . 1 . . . . . . . . . 4969 1 1028 . 1 1 99 99 TYR H H 1 8.491 0.02 . 1 . . . . . . . . . 4969 1 1029 . 1 1 99 99 TYR CA C 13 55.499 0.02 . 1 . . . . . . . . . 4969 1 1030 . 1 1 99 99 TYR HA H 1 4.967 0.02 . 1 . . . . . . . . . 4969 1 1031 . 1 1 99 99 TYR CB C 13 39.043 0.02 . 1 . . . . . . . . . 4969 1 1032 . 1 1 99 99 TYR HB3 H 1 2.690 0.02 . 2 . . . . . . . . . 4969 1 1033 . 1 1 99 99 TYR HB2 H 1 2.720 0.02 . 2 . . . . . . . . . 4969 1 1034 . 1 1 99 99 TYR HD1 H 1 6.680 0.02 . 1 . . . . . . . . . 4969 1 1035 . 1 1 99 99 TYR HE1 H 1 6.600 0.02 . 1 . . . . . . . . . 4969 1 1036 . 1 1 99 99 TYR HE2 H 1 6.600 0.02 . 1 . . . . . . . . . 4969 1 1037 . 1 1 99 99 TYR HD2 H 1 6.680 0.02 . 1 . . . . . . . . . 4969 1 1038 . 1 1 100 100 SER N N 15 117.755 0.02 . 1 . . . . . . . . . 4969 1 1039 . 1 1 100 100 SER H H 1 8.521 0.02 . 1 . . . . . . . . . 4969 1 1040 . 1 1 100 100 SER CA C 13 55.644 0.02 . 1 . . . . . . . . . 4969 1 1041 . 1 1 100 100 SER HA H 1 4.519 0.02 . 1 . . . . . . . . . 4969 1 1042 . 1 1 100 100 SER CB C 13 62.054 0.02 . 1 . . . . . . . . . 4969 1 1043 . 1 1 100 100 SER HB3 H 1 3.703 0.02 . 1 . . . . . . . . . 4969 1 1044 . 1 1 100 100 SER HB2 H 1 3.703 0.02 . 1 . . . . . . . . . 4969 1 1045 . 1 1 101 101 GLY CA C 13 44.590 0.02 . 1 . . . . . . . . . 4969 1 1046 . 1 1 101 101 GLY HA3 H 1 3.590 0.02 . 2 . . . . . . . . . 4969 1 1047 . 1 1 101 101 GLY HA2 H 1 3.830 0.02 . 2 . . . . . . . . . 4969 1 1048 . 1 1 102 102 GLY N N 15 107.310 0.02 . 1 . . . . . . . . . 4969 1 1049 . 1 1 102 102 GLY H H 1 8.010 0.02 . 1 . . . . . . . . . 4969 1 1050 . 1 1 102 102 GLY CA C 13 43.116 0.02 . 1 . . . . . . . . . 4969 1 1051 . 1 1 102 102 GLY HA3 H 1 3.546 0.02 . 2 . . . . . . . . . 4969 1 1052 . 1 1 102 102 GLY HA2 H 1 3.871 0.02 . 2 . . . . . . . . . 4969 1 1053 . 1 1 103 103 ALA N N 15 123.552 0.02 . 1 . . . . . . . . . 4969 1 1054 . 1 1 103 103 ALA H H 1 7.646 0.02 . 1 . . . . . . . . . 4969 1 1055 . 1 1 103 103 ALA CA C 13 49.158 0.02 . 1 . . . . . . . . . 4969 1 1056 . 1 1 103 103 ALA HA H 1 4.434 0.02 . 1 . . . . . . . . . 4969 1 1057 . 1 1 103 103 ALA CB C 13 18.953 0.02 . 1 . . . . . . . . . 4969 1 1058 . 1 1 103 103 ALA HB1 H 1 1.292 0.02 . 1 . . . . . . . . . 4969 1 1059 . 1 1 103 103 ALA HB2 H 1 1.292 0.02 . 1 . . . . . . . . . 4969 1 1060 . 1 1 103 103 ALA HB3 H 1 1.292 0.02 . 1 . . . . . . . . . 4969 1 1061 . 1 1 104 104 LEU N N 15 122.459 0.02 . 1 . . . . . . . . . 4969 1 1062 . 1 1 104 104 LEU H H 1 8.136 0.02 . 1 . . . . . . . . . 4969 1 1063 . 1 1 104 104 LEU CA C 13 53.165 0.02 . 1 . . . . . . . . . 4969 1 1064 . 1 1 104 104 LEU HA H 1 3.940 0.02 . 1 . . . . . . . . . 4969 1 1065 . 1 1 104 104 LEU CB C 13 40.712 0.02 . 1 . . . . . . . . . 4969 1 1066 . 1 1 104 104 LEU HB3 H 1 1.217 0.02 . 2 . . . . . . . . . 4969 1 1067 . 1 1 104 104 LEU HB2 H 1 1.331 0.02 . 2 . . . . . . . . . 4969 1 1068 . 1 1 104 104 LEU CG C 13 25.129 0.02 . 1 . . . . . . . . . 4969 1 1069 . 1 1 104 104 LEU HG H 1 1.312 0.02 . 1 . . . . . . . . . 4969 1 1070 . 1 1 104 104 LEU CD1 C 13 23.315 0.02 . 2 . . . . . . . . . 4969 1 1071 . 1 1 104 104 LEU HD11 H 1 0.525 0.02 . 2 . . . . . . . . . 4969 1 1072 . 1 1 104 104 LEU HD12 H 1 0.525 0.02 . 2 . . . . . . . . . 4969 1 1073 . 1 1 104 104 LEU HD13 H 1 0.525 0.02 . 2 . . . . . . . . . 4969 1 1074 . 1 1 104 104 LEU CD2 C 13 22.788 0.02 . 2 . . . . . . . . . 4969 1 1075 . 1 1 104 104 LEU HD21 H 1 0.403 0.02 . 2 . . . . . . . . . 4969 1 1076 . 1 1 104 104 LEU HD22 H 1 0.403 0.02 . 2 . . . . . . . . . 4969 1 1077 . 1 1 104 104 LEU HD23 H 1 0.403 0.02 . 2 . . . . . . . . . 4969 1 1078 . 1 1 105 105 ASP N N 15 124.289 0.02 . 1 . . . . . . . . . 4969 1 1079 . 1 1 105 105 ASP H H 1 8.482 0.02 . 1 . . . . . . . . . 4969 1 1080 . 1 1 105 105 ASP CA C 13 52.214 0.02 . 1 . . . . . . . . . 4969 1 1081 . 1 1 105 105 ASP HA H 1 4.658 0.02 . 1 . . . . . . . . . 4969 1 1082 . 1 1 105 105 ASP CB C 13 41.241 0.02 . 1 . . . . . . . . . 4969 1 1083 . 1 1 105 105 ASP HB3 H 1 2.404 0.02 . 1 . . . . . . . . . 4969 1 1084 . 1 1 105 105 ASP HB2 H 1 2.404 0.02 . 1 . . . . . . . . . 4969 1 1085 . 1 1 106 106 ALA N N 15 120.642 0.02 . 1 . . . . . . . . . 4969 1 1086 . 1 1 106 106 ALA H H 1 7.753 0.02 . 1 . . . . . . . . . 4969 1 1087 . 1 1 106 106 ALA CA C 13 50.340 0.02 . 1 . . . . . . . . . 4969 1 1088 . 1 1 106 106 ALA HA H 1 4.142 0.02 . 1 . . . . . . . . . 4969 1 1089 . 1 1 106 106 ALA CB C 13 18.071 0.02 . 1 . . . . . . . . . 4969 1 1090 . 1 1 106 106 ALA HB1 H 1 0.968 0.02 . 1 . . . . . . . . . 4969 1 1091 . 1 1 106 106 ALA HB2 H 1 0.968 0.02 . 1 . . . . . . . . . 4969 1 1092 . 1 1 106 106 ALA HB3 H 1 0.968 0.02 . 1 . . . . . . . . . 4969 1 1093 . 1 1 107 107 TRP N N 15 120.143 0.02 . 1 . . . . . . . . . 4969 1 1094 . 1 1 107 107 TRP H H 1 7.940 0.02 . 1 . . . . . . . . . 4969 1 1095 . 1 1 107 107 TRP CA C 13 54.779 0.02 . 1 . . . . . . . . . 4969 1 1096 . 1 1 107 107 TRP HA H 1 5.036 0.02 . 1 . . . . . . . . . 4969 1 1097 . 1 1 107 107 TRP CB C 13 28.646 0.02 . 1 . . . . . . . . . 4969 1 1098 . 1 1 107 107 TRP HB3 H 1 3.041 0.02 . 2 . . . . . . . . . 4969 1 1099 . 1 1 107 107 TRP HB2 H 1 3.116 0.02 . 2 . . . . . . . . . 4969 1 1100 . 1 1 107 107 TRP HD1 H 1 6.910 0.02 . 1 . . . . . . . . . 4969 1 1101 . 1 1 107 107 TRP NE1 N 15 128.200 0.02 . 1 . . . . . . . . . 4969 1 1102 . 1 1 107 107 TRP HE1 H 1 9.680 0.02 . 1 . . . . . . . . . 4969 1 1103 . 1 1 107 107 TRP HZ2 H 1 7.160 0.02 . 1 . . . . . . . . . 4969 1 1104 . 1 1 107 107 TRP HH2 H 1 7.240 0.02 . 1 . . . . . . . . . 4969 1 1105 . 1 1 107 107 TRP HZ3 H 1 7.170 0.02 . 1 . . . . . . . . . 4969 1 1106 . 1 1 107 107 TRP HE3 H 1 7.040 0.02 . 1 . . . . . . . . . 4969 1 1107 . 1 1 108 108 GLY N N 15 108.544 0.02 . 1 . . . . . . . . . 4969 1 1108 . 1 1 108 108 GLY H H 1 7.929 0.02 . 1 . . . . . . . . . 4969 1 1109 . 1 1 108 108 GLY CA C 13 43.800 0.02 . 1 . . . . . . . . . 4969 1 1110 . 1 1 108 108 GLY HA3 H 1 4.170 0.02 . 2 . . . . . . . . . 4969 1 1111 . 1 1 108 108 GLY HA2 H 1 4.250 0.02 . 2 . . . . . . . . . 4969 1 1112 . 1 1 109 109 GLN N N 15 120.094 0.02 . 1 . . . . . . . . . 4969 1 1113 . 1 1 109 109 GLN H H 1 8.139 0.02 . 1 . . . . . . . . . 4969 1 1114 . 1 1 109 109 GLN CA C 13 54.289 0.02 . 1 . . . . . . . . . 4969 1 1115 . 1 1 109 109 GLN HA H 1 4.689 0.02 . 1 . . . . . . . . . 4969 1 1116 . 1 1 109 109 GLN CB C 13 28.849 0.02 . 1 . . . . . . . . . 4969 1 1117 . 1 1 109 109 GLN HB3 H 1 2.228 0.02 . 2 . . . . . . . . . 4969 1 1118 . 1 1 109 109 GLN HB2 H 1 2.307 0.02 . 2 . . . . . . . . . 4969 1 1119 . 1 1 109 109 GLN CG C 13 32.622 0.02 . 1 . . . . . . . . . 4969 1 1120 . 1 1 109 109 GLN HG3 H 1 2.602 0.02 . 1 . . . . . . . . . 4969 1 1121 . 1 1 109 109 GLN HG2 H 1 2.602 0.02 . 1 . . . . . . . . . 4969 1 1122 . 1 1 109 109 GLN NE2 N 15 112.100 0.02 . 1 . . . . . . . . . 4969 1 1123 . 1 1 109 109 GLN HE21 H 1 6.930 0.02 . 1 . . . . . . . . . 4969 1 1124 . 1 1 109 109 GLN HE22 H 1 7.680 0.02 . 1 . . . . . . . . . 4969 1 1125 . 1 1 110 110 GLY N N 15 114.556 0.02 . 1 . . . . . . . . . 4969 1 1126 . 1 1 110 110 GLY H H 1 8.917 0.02 . 1 . . . . . . . . . 4969 1 1127 . 1 1 110 110 GLY CA C 13 43.581 0.02 . 1 . . . . . . . . . 4969 1 1128 . 1 1 110 110 GLY HA3 H 1 2.651 0.02 . 2 . . . . . . . . . 4969 1 1129 . 1 1 110 110 GLY HA2 H 1 4.496 0.02 . 2 . . . . . . . . . 4969 1 1130 . 1 1 111 111 THR N N 15 114.344 0.02 . 1 . . . . . . . . . 4969 1 1131 . 1 1 111 111 THR H H 1 8.790 0.02 . 1 . . . . . . . . . 4969 1 1132 . 1 1 111 111 THR CA C 13 57.774 0.02 . 1 . . . . . . . . . 4969 1 1133 . 1 1 111 111 THR HA H 1 4.866 0.02 . 1 . . . . . . . . . 4969 1 1134 . 1 1 111 111 THR CB C 13 69.253 0.02 . 1 . . . . . . . . . 4969 1 1135 . 1 1 111 111 THR HB H 1 3.732 0.02 . 1 . . . . . . . . . 4969 1 1136 . 1 1 111 111 THR CG2 C 13 17.000 0.02 . 1 . . . . . . . . . 4969 1 1137 . 1 1 111 111 THR HG21 H 1 1.065 0.02 . 1 . . . . . . . . . 4969 1 1138 . 1 1 111 111 THR HG22 H 1 1.065 0.02 . 1 . . . . . . . . . 4969 1 1139 . 1 1 111 111 THR HG23 H 1 1.065 0.02 . 1 . . . . . . . . . 4969 1 1140 . 1 1 112 112 GLN N N 15 131.022 0.02 . 1 . . . . . . . . . 4969 1 1141 . 1 1 112 112 GLN H H 1 8.713 0.02 . 1 . . . . . . . . . 4969 1 1142 . 1 1 112 112 GLN CA C 13 54.829 0.02 . 1 . . . . . . . . . 4969 1 1143 . 1 1 112 112 GLN HA H 1 4.457 0.02 . 1 . . . . . . . . . 4969 1 1144 . 1 1 112 112 GLN CB C 13 27.557 0.02 . 1 . . . . . . . . . 4969 1 1145 . 1 1 112 112 GLN HB3 H 1 2.055 0.02 . 1 . . . . . . . . . 4969 1 1146 . 1 1 112 112 GLN HB2 H 1 2.055 0.02 . 1 . . . . . . . . . 4969 1 1147 . 1 1 112 112 GLN CG C 13 31.820 0.02 . 1 . . . . . . . . . 4969 1 1148 . 1 1 112 112 GLN HG3 H 1 2.012 0.02 . 2 . . . . . . . . . 4969 1 1149 . 1 1 112 112 GLN HG2 H 1 2.259 0.02 . 2 . . . . . . . . . 4969 1 1150 . 1 1 112 112 GLN NE2 N 15 111.700 0.02 . 1 . . . . . . . . . 4969 1 1151 . 1 1 112 112 GLN HE21 H 1 6.630 0.02 . 1 . . . . . . . . . 4969 1 1152 . 1 1 112 112 GLN HE22 H 1 6.970 0.02 . 1 . . . . . . . . . 4969 1 1153 . 1 1 113 113 VAL N N 15 129.452 0.02 . 1 . . . . . . . . . 4969 1 1154 . 1 1 113 113 VAL H H 1 8.968 0.02 . 1 . . . . . . . . . 4969 1 1155 . 1 1 113 113 VAL CA C 13 60.435 0.02 . 1 . . . . . . . . . 4969 1 1156 . 1 1 113 113 VAL HA H 1 4.372 0.02 . 1 . . . . . . . . . 4969 1 1157 . 1 1 113 113 VAL CB C 13 31.899 0.02 . 1 . . . . . . . . . 4969 1 1158 . 1 1 113 113 VAL HB H 1 2.365 0.02 . 1 . . . . . . . . . 4969 1 1159 . 1 1 113 113 VAL CG2 C 13 20.350 0.02 . 1 . . . . . . . . . 4969 1 1160 . 1 1 113 113 VAL HG21 H 1 0.511 0.02 . 2 . . . . . . . . . 4969 1 1161 . 1 1 113 113 VAL HG22 H 1 0.511 0.02 . 2 . . . . . . . . . 4969 1 1162 . 1 1 113 113 VAL HG23 H 1 0.511 0.02 . 2 . . . . . . . . . 4969 1 1163 . 1 1 113 113 VAL CG1 C 13 17.960 0.02 . 2 . . . . . . . . . 4969 1 1164 . 1 1 113 113 VAL HG11 H 1 0.608 0.02 . 2 . . . . . . . . . 4969 1 1165 . 1 1 113 113 VAL HG12 H 1 0.608 0.02 . 2 . . . . . . . . . 4969 1 1166 . 1 1 113 113 VAL HG13 H 1 0.608 0.02 . 2 . . . . . . . . . 4969 1 1167 . 1 1 114 114 THR N N 15 124.523 0.02 . 1 . . . . . . . . . 4969 1 1168 . 1 1 114 114 THR H H 1 8.426 0.02 . 1 . . . . . . . . . 4969 1 1169 . 1 1 114 114 THR CA C 13 60.054 0.02 . 1 . . . . . . . . . 4969 1 1170 . 1 1 114 114 THR HA H 1 4.581 0.02 . 1 . . . . . . . . . 4969 1 1171 . 1 1 114 114 THR CB C 13 68.648 0.02 . 1 . . . . . . . . . 4969 1 1172 . 1 1 114 114 THR HB H 1 3.878 0.02 . 1 . . . . . . . . . 4969 1 1173 . 1 1 114 114 THR CG2 C 13 20.555 0.02 . 1 . . . . . . . . . 4969 1 1174 . 1 1 114 114 THR HG21 H 1 1.114 0.02 . 1 . . . . . . . . . 4969 1 1175 . 1 1 114 114 THR HG22 H 1 1.114 0.02 . 1 . . . . . . . . . 4969 1 1176 . 1 1 114 114 THR HG23 H 1 1.114 0.02 . 1 . . . . . . . . . 4969 1 1177 . 1 1 115 115 VAL N N 15 128.428 0.02 . 1 . . . . . . . . . 4969 1 1178 . 1 1 115 115 VAL H H 1 8.401 0.02 . 1 . . . . . . . . . 4969 1 1179 . 1 1 115 115 VAL CA C 13 58.267 0.02 . 1 . . . . . . . . . 4969 1 1180 . 1 1 115 115 VAL HA H 1 4.820 0.02 . 1 . . . . . . . . . 4969 1 1181 . 1 1 115 115 VAL CB C 13 29.495 0.02 . 1 . . . . . . . . . 4969 1 1182 . 1 1 115 115 VAL HB H 1 1.902 0.02 . 1 . . . . . . . . . 4969 1 1183 . 1 1 115 115 VAL CG2 C 13 18.492 0.02 . 2 . . . . . . . . . 4969 1 1184 . 1 1 115 115 VAL HG21 H 1 0.405 0.02 . 2 . . . . . . . . . 4969 1 1185 . 1 1 115 115 VAL HG22 H 1 0.405 0.02 . 2 . . . . . . . . . 4969 1 1186 . 1 1 115 115 VAL HG23 H 1 0.405 0.02 . 2 . . . . . . . . . 4969 1 1187 . 1 1 115 115 VAL CG1 C 13 19.099 0.02 . 2 . . . . . . . . . 4969 1 1188 . 1 1 115 115 VAL HG11 H 1 0.650 0.02 . 2 . . . . . . . . . 4969 1 1189 . 1 1 115 115 VAL HG12 H 1 0.650 0.02 . 2 . . . . . . . . . 4969 1 1190 . 1 1 115 115 VAL HG13 H 1 0.650 0.02 . 2 . . . . . . . . . 4969 1 1191 . 1 1 116 116 SER N N 15 120.321 0.02 . 1 . . . . . . . . . 4969 1 1192 . 1 1 116 116 SER H H 1 8.472 0.02 . 1 . . . . . . . . . 4969 1 1193 . 1 1 116 116 SER CA C 13 55.757 0.02 . 1 . . . . . . . . . 4969 1 1194 . 1 1 116 116 SER HA H 1 4.556 0.02 . 1 . . . . . . . . . 4969 1 1195 . 1 1 116 116 SER CB C 13 63.016 0.02 . 1 . . . . . . . . . 4969 1 1196 . 1 1 116 116 SER HB3 H 1 3.560 0.02 . 2 . . . . . . . . . 4969 1 1197 . 1 1 116 116 SER HB2 H 1 3.770 0.02 . 2 . . . . . . . . . 4969 1 1198 . 1 1 117 117 SER N N 15 119.200 0.02 . 1 . . . . . . . . . 4969 1 1199 . 1 1 117 117 SER H H 1 8.690 0.02 . 1 . . . . . . . . . 4969 1 1200 . 1 1 117 117 SER CA C 13 57.080 0.02 . 1 . . . . . . . . . 4969 1 1201 . 1 1 117 117 SER HA H 1 4.530 0.02 . 1 . . . . . . . . . 4969 1 1202 . 1 1 117 117 SER CB C 13 62.230 0.02 . 1 . . . . . . . . . 4969 1 1203 . 1 1 117 117 SER HB3 H 1 3.870 0.02 . 2 . . . . . . . . . 4969 1 1204 . 1 1 117 117 SER HB2 H 1 3.990 0.02 . 2 . . . . . . . . . 4969 1 1205 . 1 1 118 118 GLN N N 15 110.570 0.02 . 1 . . . . . . . . . 4969 1 1206 . 1 1 118 118 GLN H H 1 8.510 0.02 . 1 . . . . . . . . . 4969 1 1207 . 1 1 118 118 GLN HE21 H 1 6.970 0.02 . 1 . . . . . . . . . 4969 1 1208 . 1 1 118 118 GLN HE22 H 1 7.690 0.02 . 1 . . . . . . . . . 4969 1 1209 . 1 1 119 119 SER CA C 13 56.800 0.02 . 1 . . . . . . . . . 4969 1 1210 . 1 1 119 119 SER HA H 1 4.457 0.02 . 1 . . . . . . . . . 4969 1 1211 . 1 1 119 119 SER CB C 13 62.123 0.02 . 1 . . . . . . . . . 4969 1 1212 . 1 1 119 119 SER HB3 H 1 3.840 0.02 . 1 . . . . . . . . . 4969 1 1213 . 1 1 119 119 SER HB2 H 1 3.840 0.02 . 1 . . . . . . . . . 4969 1 1214 . 1 1 120 120 GLU N N 15 122.429 0.02 . 1 . . . . . . . . . 4969 1 1215 . 1 1 120 120 GLU H H 1 8.547 0.02 . 1 . . . . . . . . . 4969 1 1216 . 1 1 120 120 GLU CA C 13 55.184 0.02 . 1 . . . . . . . . . 4969 1 1217 . 1 1 120 120 GLU HA H 1 4.273 0.02 . 1 . . . . . . . . . 4969 1 1218 . 1 1 120 120 GLU CB C 13 28.327 0.02 . 1 . . . . . . . . . 4969 1 1219 . 1 1 120 120 GLU HB3 H 1 1.935 0.02 . 2 . . . . . . . . . 4969 1 1220 . 1 1 120 120 GLU HB2 H 1 2.029 0.02 . 2 . . . . . . . . . 4969 1 1221 . 1 1 120 120 GLU CG C 13 34.603 0.02 . 1 . . . . . . . . . 4969 1 1222 . 1 1 120 120 GLU HG3 H 1 2.235 0.02 . 1 . . . . . . . . . 4969 1 1223 . 1 1 120 120 GLU HG2 H 1 2.235 0.02 . 1 . . . . . . . . . 4969 1 1224 . 1 1 121 121 GLN N N 15 121.101 0.02 . 1 . . . . . . . . . 4969 1 1225 . 1 1 121 121 GLN H H 1 8.287 0.02 . 1 . . . . . . . . . 4969 1 1226 . 1 1 121 121 GLN CA C 13 54.145 0.02 . 1 . . . . . . . . . 4969 1 1227 . 1 1 121 121 GLN HA H 1 4.264 0.02 . 1 . . . . . . . . . 4969 1 1228 . 1 1 121 121 GLN CB C 13 27.640 0.02 . 1 . . . . . . . . . 4969 1 1229 . 1 1 121 121 GLN HB3 H 1 1.944 0.02 . 2 . . . . . . . . . 4969 1 1230 . 1 1 121 121 GLN HB2 H 1 2.058 0.02 . 2 . . . . . . . . . 4969 1 1231 . 1 1 121 121 GLN CG C 13 32.071 0.02 . 1 . . . . . . . . . 4969 1 1232 . 1 1 121 121 GLN HG3 H 1 2.323 0.02 . 1 . . . . . . . . . 4969 1 1233 . 1 1 121 121 GLN HG2 H 1 2.323 0.02 . 1 . . . . . . . . . 4969 1 1234 . 1 1 121 121 GLN NE2 N 15 112.080 0.02 . 1 . . . . . . . . . 4969 1 1235 . 1 1 121 121 GLN HE21 H 1 6.810 0.02 . 1 . . . . . . . . . 4969 1 1236 . 1 1 121 121 GLN HE22 H 1 7.510 0.02 . 1 . . . . . . . . . 4969 1 1237 . 1 1 122 122 LYS N N 15 122.871 0.02 . 1 . . . . . . . . . 4969 1 1238 . 1 1 122 122 LYS H H 1 8.250 0.02 . 1 . . . . . . . . . 4969 1 1239 . 1 1 122 122 LYS CA C 13 54.404 0.02 . 1 . . . . . . . . . 4969 1 1240 . 1 1 122 122 LYS HA H 1 4.298 0.02 . 1 . . . . . . . . . 4969 1 1241 . 1 1 122 122 LYS CB C 13 30.937 0.02 . 1 . . . . . . . . . 4969 1 1242 . 1 1 122 122 LYS HB3 H 1 1.725 0.02 . 2 . . . . . . . . . 4969 1 1243 . 1 1 122 122 LYS HB2 H 1 1.804 0.02 . 2 . . . . . . . . . 4969 1 1244 . 1 1 122 122 LYS CG C 13 22.857 0.02 . 1 . . . . . . . . . 4969 1 1245 . 1 1 122 122 LYS HG3 H 1 1.396 0.02 . 1 . . . . . . . . . 4969 1 1246 . 1 1 122 122 LYS HG2 H 1 1.396 0.02 . 1 . . . . . . . . . 4969 1 1247 . 1 1 122 122 LYS CD C 13 27.138 0.02 . 1 . . . . . . . . . 4969 1 1248 . 1 1 122 122 LYS HD3 H 1 1.659 0.02 . 1 . . . . . . . . . 4969 1 1249 . 1 1 122 122 LYS HD2 H 1 1.659 0.02 . 1 . . . . . . . . . 4969 1 1250 . 1 1 122 122 LYS CE C 13 40.434 0.02 . 1 . . . . . . . . . 4969 1 1251 . 1 1 122 122 LYS HE3 H 1 2.980 0.02 . 1 . . . . . . . . . 4969 1 1252 . 1 1 122 122 LYS HE2 H 1 2.980 0.02 . 1 . . . . . . . . . 4969 1 1253 . 1 1 123 123 LEU N N 15 123.662 0.02 . 1 . . . . . . . . . 4969 1 1254 . 1 1 123 123 LEU H H 1 8.241 0.02 . 1 . . . . . . . . . 4969 1 1255 . 1 1 123 123 LEU CA C 13 53.424 0.02 . 1 . . . . . . . . . 4969 1 1256 . 1 1 123 123 LEU HA H 1 4.380 0.02 . 1 . . . . . . . . . 4969 1 1257 . 1 1 123 123 LEU CB C 13 40.417 0.02 . 1 . . . . . . . . . 4969 1 1258 . 1 1 123 123 LEU HB3 H 1 1.570 0.02 . 2 . . . . . . . . . 4969 1 1259 . 1 1 123 123 LEU HB2 H 1 1.630 0.02 . 2 . . . . . . . . . 4969 1 1260 . 1 1 123 123 LEU CG C 13 25.157 0.02 . 1 . . . . . . . . . 4969 1 1261 . 1 1 123 123 LEU HG H 1 1.589 0.02 . 1 . . . . . . . . . 4969 1 1262 . 1 1 123 123 LEU CD1 C 13 23.220 0.02 . 2 . . . . . . . . . 4969 1 1263 . 1 1 123 123 LEU HD11 H 1 0.907 0.02 . 2 . . . . . . . . . 4969 1 1264 . 1 1 123 123 LEU HD12 H 1 0.907 0.02 . 2 . . . . . . . . . 4969 1 1265 . 1 1 123 123 LEU HD13 H 1 0.907 0.02 . 2 . . . . . . . . . 4969 1 1266 . 1 1 123 123 LEU CD2 C 13 21.766 0.02 . 2 . . . . . . . . . 4969 1 1267 . 1 1 123 123 LEU HD21 H 1 0.844 0.02 . 2 . . . . . . . . . 4969 1 1268 . 1 1 123 123 LEU HD22 H 1 0.844 0.02 . 2 . . . . . . . . . 4969 1 1269 . 1 1 123 123 LEU HD23 H 1 0.844 0.02 . 2 . . . . . . . . . 4969 1 1270 . 1 1 124 124 ILE N N 15 121.902 0.02 . 1 . . . . . . . . . 4969 1 1271 . 1 1 124 124 ILE H H 1 8.078 0.02 . 1 . . . . . . . . . 4969 1 1272 . 1 1 124 124 ILE CA C 13 59.189 0.02 . 1 . . . . . . . . . 4969 1 1273 . 1 1 124 124 ILE HA H 1 4.202 0.02 . 1 . . . . . . . . . 4969 1 1274 . 1 1 124 124 ILE CB C 13 37.062 0.02 . 1 . . . . . . . . . 4969 1 1275 . 1 1 124 124 ILE HB H 1 1.856 0.02 . 1 . . . . . . . . . 4969 1 1276 . 1 1 124 124 ILE CG1 C 13 25.365 0.02 . 2 . . . . . . . . . 4969 1 1277 . 1 1 124 124 ILE HG13 H 1 1.172 0.02 . 9 . . . . . . . . . 4969 1 1278 . 1 1 124 124 ILE HG12 H 1 1.452 0.02 . 9 . . . . . . . . . 4969 1 1279 . 1 1 124 124 ILE CD1 C 13 10.800 0.02 . 1 . . . . . . . . . 4969 1 1280 . 1 1 124 124 ILE HD11 H 1 0.835 0.02 . 1 . . . . . . . . . 4969 1 1281 . 1 1 124 124 ILE HD12 H 1 0.835 0.02 . 1 . . . . . . . . . 4969 1 1282 . 1 1 124 124 ILE HD13 H 1 0.835 0.02 . 1 . . . . . . . . . 4969 1 1283 . 1 1 124 124 ILE CG2 C 13 15.860 0.02 . 2 . . . . . . . . . 4969 1 1284 . 1 1 124 124 ILE HG21 H 1 0.888 0.02 . 1 . . . . . . . . . 4969 1 1285 . 1 1 124 124 ILE HG22 H 1 0.888 0.02 . 1 . . . . . . . . . 4969 1 1286 . 1 1 124 124 ILE HG23 H 1 0.888 0.02 . 1 . . . . . . . . . 4969 1 1287 . 1 1 125 125 SER N N 15 119.997 0.02 . 1 . . . . . . . . . 4969 1 1288 . 1 1 125 125 SER H H 1 8.416 0.02 . 1 . . . . . . . . . 4969 1 1289 . 1 1 125 125 SER CA C 13 56.232 0.02 . 1 . . . . . . . . . 4969 1 1290 . 1 1 125 125 SER HA H 1 4.485 0.02 . 1 . . . . . . . . . 4969 1 1291 . 1 1 125 125 SER CB C 13 62.100 0.02 . 1 . . . . . . . . . 4969 1 1292 . 1 1 125 125 SER HB3 H 1 3.830 0.02 . 2 . . . . . . . . . 4969 1 1293 . 1 1 125 125 SER HB2 H 1 3.930 0.02 . 2 . . . . . . . . . 4969 1 1294 . 1 1 126 126 GLU N N 15 122.985 0.02 . 1 . . . . . . . . . 4969 1 1295 . 1 1 126 126 GLU H H 1 8.537 0.02 . 1 . . . . . . . . . 4969 1 1296 . 1 1 126 126 GLU CA C 13 55.400 0.02 . 1 . . . . . . . . . 4969 1 1297 . 1 1 126 126 GLU HA H 1 4.210 0.02 . 1 . . . . . . . . . 4969 1 1298 . 1 1 126 126 GLU CB C 13 28.396 0.02 . 1 . . . . . . . . . 4969 1 1299 . 1 1 126 126 GLU HB3 H 1 1.960 0.02 . 2 . . . . . . . . . 4969 1 1300 . 1 1 126 126 GLU HB2 H 1 2.058 0.02 . 2 . . . . . . . . . 4969 1 1301 . 1 1 126 126 GLU CG C 13 34.700 0.02 . 1 . . . . . . . . . 4969 1 1302 . 1 1 126 126 GLU HG3 H 1 2.260 0.02 . 1 . . . . . . . . . 4969 1 1303 . 1 1 126 126 GLU HG2 H 1 2.260 0.02 . 1 . . . . . . . . . 4969 1 1304 . 1 1 127 127 GLU N N 15 120.180 0.02 . 1 . . . . . . . . . 4969 1 1305 . 1 1 127 127 GLU H H 1 8.344 0.02 . 1 . . . . . . . . . 4969 1 1306 . 1 1 127 127 GLU CA C 13 55.536 0.02 . 1 . . . . . . . . . 4969 1 1307 . 1 1 127 127 GLU HA H 1 4.180 0.02 . 1 . . . . . . . . . 4969 1 1308 . 1 1 127 127 GLU CB C 13 28.396 0.02 . 1 . . . . . . . . . 4969 1 1309 . 1 1 127 127 GLU HB3 H 1 1.920 0.02 . 2 . . . . . . . . . 4969 1 1310 . 1 1 127 127 GLU HB2 H 1 1.980 0.02 . 2 . . . . . . . . . 4969 1 1311 . 1 1 127 127 GLU CG C 13 34.500 0.02 . 1 . . . . . . . . . 4969 1 1312 . 1 1 127 127 GLU HG3 H 1 2.250 0.02 . 1 . . . . . . . . . 4969 1 1313 . 1 1 127 127 GLU HG2 H 1 2.250 0.02 . 1 . . . . . . . . . 4969 1 1314 . 1 1 128 128 ASP N N 15 120.617 0.02 . 1 . . . . . . . . . 4969 1 1315 . 1 1 128 128 ASP H H 1 8.140 0.02 . 1 . . . . . . . . . 4969 1 1316 . 1 1 128 128 ASP CA C 13 52.905 0.02 . 1 . . . . . . . . . 4969 1 1317 . 1 1 128 128 ASP HA H 1 4.560 0.02 . 1 . . . . . . . . . 4969 1 1318 . 1 1 128 128 ASP CB C 13 39.000 0.02 . 1 . . . . . . . . . 4969 1 1319 . 1 1 128 128 ASP HB3 H 1 2.660 0.02 . 2 . . . . . . . . . 4969 1 1320 . 1 1 128 128 ASP HB2 H 1 2.728 0.02 . 2 . . . . . . . . . 4969 1 1321 . 1 1 129 129 LEU N N 15 121.906 0.02 . 1 . . . . . . . . . 4969 1 1322 . 1 1 129 129 LEU H H 1 8.016 0.02 . 1 . . . . . . . . . 4969 1 1323 . 1 1 129 129 LEU CA C 13 54.200 0.02 . 1 . . . . . . . . . 4969 1 1324 . 1 1 129 129 LEU HA H 1 4.180 0.02 . 1 . . . . . . . . . 4969 1 1325 . 1 1 129 129 LEU CB C 13 40.200 0.02 . 1 . . . . . . . . . 4969 1 1326 . 1 1 129 129 LEU HB3 H 1 1.530 0.02 . 2 . . . . . . . . . 4969 1 1327 . 1 1 129 129 LEU HB2 H 1 1.610 0.02 . 2 . . . . . . . . . 4969 1 1328 . 1 1 129 129 LEU CG C 13 25.250 0.02 . 1 . . . . . . . . . 4969 1 1329 . 1 1 129 129 LEU HG H 1 1.590 0.02 . 1 . . . . . . . . . 4969 1 1330 . 1 1 129 129 LEU CD1 C 13 23.400 0.02 . 1 . . . . . . . . . 4969 1 1331 . 1 1 129 129 LEU HD11 H 1 0.880 0.02 . 2 . . . . . . . . . 4969 1 1332 . 1 1 129 129 LEU HD12 H 1 0.880 0.02 . 2 . . . . . . . . . 4969 1 1333 . 1 1 129 129 LEU HD13 H 1 0.880 0.02 . 2 . . . . . . . . . 4969 1 1334 . 1 1 129 129 LEU CD2 C 13 21.600 0.02 . 1 . . . . . . . . . 4969 1 1335 . 1 1 129 129 LEU HD21 H 1 0.820 0.02 . 2 . . . . . . . . . 4969 1 1336 . 1 1 129 129 LEU HD22 H 1 0.820 0.02 . 2 . . . . . . . . . 4969 1 1337 . 1 1 129 129 LEU HD23 H 1 0.820 0.02 . 2 . . . . . . . . . 4969 1 1338 . 1 1 130 130 ASN N N 15 117.100 0.02 . 1 . . . . . . . . . 4969 1 1339 . 1 1 130 130 ASN H H 1 8.200 0.02 . 1 . . . . . . . . . 4969 1 1340 . 1 1 130 130 ASN CA C 13 51.900 0.02 . 1 . . . . . . . . . 4969 1 1341 . 1 1 130 130 ASN HA H 1 4.600 0.02 . 1 . . . . . . . . . 4969 1 1342 . 1 1 130 130 ASN CB C 13 36.600 0.02 . 1 . . . . . . . . . 4969 1 1343 . 1 1 130 130 ASN HB3 H 1 2.690 0.02 . 1 . . . . . . . . . 4969 1 1344 . 1 1 130 130 ASN HB2 H 1 2.690 0.02 . 1 . . . . . . . . . 4969 1 1345 . 1 1 130 130 ASN ND2 N 15 112.500 0.02 . 1 . . . . . . . . . 4969 1 1346 . 1 1 130 130 ASN HD21 H 1 6.890 0.02 . 1 . . . . . . . . . 4969 1 1347 . 1 1 130 130 ASN HD22 H 1 7.610 0.02 . 1 . . . . . . . . . 4969 1 1348 . 1 1 131 131 HIS N N 15 118.600 0.02 . 1 . . . . . . . . . 4969 1 1349 . 1 1 131 131 HIS H H 1 7.970 0.02 . 1 . . . . . . . . . 4969 1 1350 . 1 1 131 131 HIS CA C 13 54.318 0.02 . 1 . . . . . . . . . 4969 1 1351 . 1 1 131 131 HIS HA H 1 4.592 0.02 . 1 . . . . . . . . . 4969 1 1352 . 1 1 131 131 HIS CB C 13 28.650 0.02 . 1 . . . . . . . . . 4969 1 1353 . 1 1 131 131 HIS HB3 H 1 2.990 0.02 . 2 . . . . . . . . . 4969 1 1354 . 1 1 131 131 HIS HB2 H 1 3.060 0.02 . 2 . . . . . . . . . 4969 1 1355 . 1 1 132 132 HIS N N 15 125.250 0.02 . 1 . . . . . . . . . 4969 1 1356 . 1 1 132 132 HIS H H 1 7.942 0.02 . 1 . . . . . . . . . 4969 1 1357 . 1 1 132 132 HIS CA C 13 55.734 0.02 . 1 . . . . . . . . . 4969 1 1358 . 1 1 132 132 HIS HA H 1 4.592 0.02 . 1 . . . . . . . . . 4969 1 1359 . 1 1 132 132 HIS CB C 13 28.714 0.02 . 1 . . . . . . . . . 4969 1 1360 . 1 1 132 132 HIS HB3 H 1 3.062 0.02 . 1 . . . . . . . . . 4969 1 1361 . 1 1 132 132 HIS HB2 H 1 3.062 0.02 . 1 . . . . . . . . . 4969 1 stop_ save_