data_18134 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18134 _Entry.Title ; SOLUTION STRUCTURE OF THE FIRST SAM DOMAIN OF ODIN ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-12-12 _Entry.Accession_date 2011-12-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Marilisa Leone . . . 18134 2 Flavia Mercurio . . . 18134 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18134 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'SIGNALING PROTEIN' . 18134 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18134 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 244 18134 '15N chemical shifts' 81 18134 '1H chemical shifts' 554 18134 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-05-10 2011-12-15 update BMRB 'update entry citation' 18134 1 . . 2012-01-25 2011-12-15 original author 'original release' 18134 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LMR 'BMRB Entry Tracking System' 18134 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18134 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22332920 _Citation.Full_citation . _Citation.Title 'Solution structure of the first Sam domain of Odin and binding studies with the EphA2 receptor.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 51 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2136 _Citation.Page_last 2145 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Flavia Anna' Mercurio . . . 18134 1 2 Daniela Marasco . . . 18134 1 3 Luciano Pirone . . . 18134 1 4 'Emilia Maria' Pedone . . . 18134 1 5 Maurizio Pellecchia . . . 18134 1 6 Marilisa Leone . . . 18134 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18134 _Assembly.ID 1 _Assembly.Name 'FIRST SAM DOMAIN OF ODIN' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'FIRST SAM DOMAIN OF ODIN' 1 $entity A . yes native no no . . . 18134 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18134 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MISGLRTLEQSVGEWLESIG LQQYESKLLLNGFDDVHFLG SNVMEEQDLRDIGISDPQHR RKLLQAARSLPKVKALGYDG N ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11308.773 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LMR . "Solution Structure Of The First Sam Domain Of Odin" . . . . . 100.00 101 100.00 100.00 4.08e-65 . . . . 18134 1 2 no DBJ BAA13218 . "KIAA0229 [Homo sapiens]" . . . . . 79.21 1134 98.75 98.75 5.23e-44 . . . . 18134 1 3 no DBJ BAG11153 . "ankyrin repeat and SAM domain-containing protein 1A [synthetic construct]" . . . . . 79.21 1134 98.75 98.75 5.23e-44 . . . . 18134 1 4 no GB AAH31934 . "ANKS1A protein [Homo sapiens]" . . . . . 79.21 570 98.75 98.75 3.33e-45 . . . . 18134 1 5 no GB AAI32833 . "Ankyrin repeat and sterile alpha motif domain containing 1A [Homo sapiens]" . . . . . 79.21 1134 98.75 98.75 5.23e-44 . . . . 18134 1 6 no GB EAX03800 . "ankyrin repeat and sterile alpha motif domain containing 1A, isoform CRA_a [Homo sapiens]" . . . . . 79.21 1231 98.75 98.75 6.83e-44 . . . . 18134 1 7 no GB EAX03803 . "ankyrin repeat and sterile alpha motif domain containing 1A, isoform CRA_d [Homo sapiens]" . . . . . 79.21 1131 98.75 98.75 5.20e-44 . . . . 18134 1 8 no GB EAX03804 . "ankyrin repeat and sterile alpha motif domain containing 1A, isoform CRA_e [Homo sapiens]" . . . . . 79.21 1134 98.75 98.75 5.23e-44 . . . . 18134 1 9 no REF NP_056060 . "ankyrin repeat and SAM domain-containing protein 1A [Homo sapiens]" . . . . . 79.21 1134 100.00 100.00 6.53e-45 . . . . 18134 1 10 no REF XP_001111692 . "PREDICTED: ankyrin repeat and SAM domain-containing protein 1A [Macaca mulatta]" . . . . . 79.21 1131 97.50 97.50 4.01e-43 . . . . 18134 1 11 no REF XP_003897533 . "PREDICTED: ankyrin repeat and SAM domain-containing protein 1A isoform X6 [Papio anubis]" . . . . . 79.21 1130 97.50 97.50 4.24e-43 . . . . 18134 1 12 no REF XP_004043913 . "PREDICTED: ankyrin repeat and SAM domain-containing protein 1A [Gorilla gorilla gorilla]" . . . . . 79.21 1128 97.50 97.50 2.42e-43 . . . . 18134 1 13 no REF XP_005249021 . "PREDICTED: ankyrin repeat and SAM domain-containing protein 1A isoform X5 [Homo sapiens]" . . . . . 79.21 1155 100.00 100.00 7.55e-45 . . . . 18134 1 14 no SP Q92625 . "RecName: Full=Ankyrin repeat and SAM domain-containing protein 1A; AltName: Full=Odin" . . . . . 79.21 1134 100.00 100.00 6.53e-45 . . . . 18134 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18134 1 2 . GLY . 18134 1 3 . SER . 18134 1 4 . SER . 18134 1 5 . HIS . 18134 1 6 . HIS . 18134 1 7 . HIS . 18134 1 8 . HIS . 18134 1 9 . HIS . 18134 1 10 . HIS . 18134 1 11 . SER . 18134 1 12 . SER . 18134 1 13 . GLY . 18134 1 14 . LEU . 18134 1 15 . VAL . 18134 1 16 . PRO . 18134 1 17 . ARG . 18134 1 18 . GLY . 18134 1 19 . SER . 18134 1 20 . HIS . 18134 1 21 . MET . 18134 1 22 . ILE . 18134 1 23 . SER . 18134 1 24 . GLY . 18134 1 25 . LEU . 18134 1 26 . ARG . 18134 1 27 . THR . 18134 1 28 . LEU . 18134 1 29 . GLU . 18134 1 30 . GLN . 18134 1 31 . SER . 18134 1 32 . VAL . 18134 1 33 . GLY . 18134 1 34 . GLU . 18134 1 35 . TRP . 18134 1 36 . LEU . 18134 1 37 . GLU . 18134 1 38 . SER . 18134 1 39 . ILE . 18134 1 40 . GLY . 18134 1 41 . LEU . 18134 1 42 . GLN . 18134 1 43 . GLN . 18134 1 44 . TYR . 18134 1 45 . GLU . 18134 1 46 . SER . 18134 1 47 . LYS . 18134 1 48 . LEU . 18134 1 49 . LEU . 18134 1 50 . LEU . 18134 1 51 . ASN . 18134 1 52 . GLY . 18134 1 53 . PHE . 18134 1 54 . ASP . 18134 1 55 . ASP . 18134 1 56 . VAL . 18134 1 57 . HIS . 18134 1 58 . PHE . 18134 1 59 . LEU . 18134 1 60 . GLY . 18134 1 61 . SER . 18134 1 62 . ASN . 18134 1 63 . VAL . 18134 1 64 . MET . 18134 1 65 . GLU . 18134 1 66 . GLU . 18134 1 67 . GLN . 18134 1 68 . ASP . 18134 1 69 . LEU . 18134 1 70 . ARG . 18134 1 71 . ASP . 18134 1 72 . ILE . 18134 1 73 . GLY . 18134 1 74 . ILE . 18134 1 75 . SER . 18134 1 76 . ASP . 18134 1 77 . PRO . 18134 1 78 . GLN . 18134 1 79 . HIS . 18134 1 80 . ARG . 18134 1 81 . ARG . 18134 1 82 . LYS . 18134 1 83 . LEU . 18134 1 84 . LEU . 18134 1 85 . GLN . 18134 1 86 . ALA . 18134 1 87 . ALA . 18134 1 88 . ARG . 18134 1 89 . SER . 18134 1 90 . LEU . 18134 1 91 . PRO . 18134 1 92 . LYS . 18134 1 93 . VAL . 18134 1 94 . LYS . 18134 1 95 . ALA . 18134 1 96 . LEU . 18134 1 97 . GLY . 18134 1 98 . TYR . 18134 1 99 . ASP . 18134 1 100 . GLY . 18134 1 101 . ASN . 18134 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18134 1 . GLY 2 2 18134 1 . SER 3 3 18134 1 . SER 4 4 18134 1 . HIS 5 5 18134 1 . HIS 6 6 18134 1 . HIS 7 7 18134 1 . HIS 8 8 18134 1 . HIS 9 9 18134 1 . HIS 10 10 18134 1 . SER 11 11 18134 1 . SER 12 12 18134 1 . GLY 13 13 18134 1 . LEU 14 14 18134 1 . VAL 15 15 18134 1 . PRO 16 16 18134 1 . ARG 17 17 18134 1 . GLY 18 18 18134 1 . SER 19 19 18134 1 . HIS 20 20 18134 1 . MET 21 21 18134 1 . ILE 22 22 18134 1 . SER 23 23 18134 1 . GLY 24 24 18134 1 . LEU 25 25 18134 1 . ARG 26 26 18134 1 . THR 27 27 18134 1 . LEU 28 28 18134 1 . GLU 29 29 18134 1 . GLN 30 30 18134 1 . SER 31 31 18134 1 . VAL 32 32 18134 1 . GLY 33 33 18134 1 . GLU 34 34 18134 1 . TRP 35 35 18134 1 . LEU 36 36 18134 1 . GLU 37 37 18134 1 . SER 38 38 18134 1 . ILE 39 39 18134 1 . GLY 40 40 18134 1 . LEU 41 41 18134 1 . GLN 42 42 18134 1 . GLN 43 43 18134 1 . TYR 44 44 18134 1 . GLU 45 45 18134 1 . SER 46 46 18134 1 . LYS 47 47 18134 1 . LEU 48 48 18134 1 . LEU 49 49 18134 1 . LEU 50 50 18134 1 . ASN 51 51 18134 1 . GLY 52 52 18134 1 . PHE 53 53 18134 1 . ASP 54 54 18134 1 . ASP 55 55 18134 1 . VAL 56 56 18134 1 . HIS 57 57 18134 1 . PHE 58 58 18134 1 . LEU 59 59 18134 1 . GLY 60 60 18134 1 . SER 61 61 18134 1 . ASN 62 62 18134 1 . VAL 63 63 18134 1 . MET 64 64 18134 1 . GLU 65 65 18134 1 . GLU 66 66 18134 1 . GLN 67 67 18134 1 . ASP 68 68 18134 1 . LEU 69 69 18134 1 . ARG 70 70 18134 1 . ASP 71 71 18134 1 . ILE 72 72 18134 1 . GLY 73 73 18134 1 . ILE 74 74 18134 1 . SER 75 75 18134 1 . ASP 76 76 18134 1 . PRO 77 77 18134 1 . GLN 78 78 18134 1 . HIS 79 79 18134 1 . ARG 80 80 18134 1 . ARG 81 81 18134 1 . LYS 82 82 18134 1 . LEU 83 83 18134 1 . LEU 84 84 18134 1 . GLN 85 85 18134 1 . ALA 86 86 18134 1 . ALA 87 87 18134 1 . ARG 88 88 18134 1 . SER 89 89 18134 1 . LEU 90 90 18134 1 . PRO 91 91 18134 1 . LYS 92 92 18134 1 . VAL 93 93 18134 1 . LYS 94 94 18134 1 . ALA 95 95 18134 1 . LEU 96 96 18134 1 . GLY 97 97 18134 1 . TYR 98 98 18134 1 . ASP 99 99 18134 1 . GLY 100 100 18134 1 . ASN 101 101 18134 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 18134 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18134 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 18134 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . PET15B . . . . . . 18134 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18134 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . . 0.9 1 mM . . . . 18134 1 2 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 18134 1 3 'potassium phosphate' 'natural abundance' . . . . . . 1.8 . . mM . . . . 18134 1 4 'sodium chloride' 'natural abundance' . . . . . . 140 . . mM . . . . 18134 1 5 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18134 1 6 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 18134 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18134 1 8 D2O 99% . . . . . . 5 . . % . . . . 18134 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18134 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity 'natural abundance' . . 1 $entity . . . 0.9 1 mM . . . . 18134 2 2 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 18134 2 3 'potassium phosphate' 'natural abundance' . . . . . . 1.8 . . mM . . . . 18134 2 4 'sodium chloride' 'natural abundance' . . . . . . 140 . . mM . . . . 18134 2 5 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18134 2 6 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 18134 2 7 D2O 99% . . . . . . 100 . . % . . . . 18134 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18134 _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' 0.2 . M 18134 1 pH 7.7 . pH 18134 1 pressure 1 . atm 18134 1 temperature 298 . K 18134 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18134 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18134 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18134 1 processing 18134 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 18134 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 18134 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18134 2 'data analysis' 18134 2 'peak picking' 18134 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18134 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18134 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18134 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18134 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18134 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Unity . 600 . . . 18134 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 18134 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18134 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18134 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18134 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18134 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18134 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18134 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18134 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18134 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18134 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18134 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18134 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18134 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18134 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18134 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18134 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18134 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18134 1 9 '3D HCCH-TOCSY' . . . 18134 1 10 '3D 1H-15N NOESY' . . . 18134 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 22 22 ILE HA H 1 4.51 0.01 . 1 . . . A 22 ILE HA . 18134 1 2 . 1 1 22 22 ILE HB H 1 1.89 0.01 . 1 . . . A 22 ILE HB . 18134 1 3 . 1 1 22 22 ILE HG12 H 1 1.46 0.01 . 2 . . . A 22 ILE HG12 . 18134 1 4 . 1 1 22 22 ILE HG13 H 1 1.19 0.01 . 2 . . . A 22 ILE HG13 . 18134 1 5 . 1 1 22 22 ILE HG21 H 1 0.93 0.01 . 1 . . . A 22 ILE HG21 . 18134 1 6 . 1 1 22 22 ILE HG22 H 1 0.93 0.01 . 1 . . . A 22 ILE HG22 . 18134 1 7 . 1 1 22 22 ILE HG23 H 1 0.93 0.01 . 1 . . . A 22 ILE HG23 . 18134 1 8 . 1 1 22 22 ILE HD11 H 1 0.86 0.01 . 1 . . . A 22 ILE HD11 . 18134 1 9 . 1 1 22 22 ILE HD12 H 1 0.86 0.01 . 1 . . . A 22 ILE HD12 . 18134 1 10 . 1 1 22 22 ILE HD13 H 1 0.86 0.01 . 1 . . . A 22 ILE HD13 . 18134 1 11 . 1 1 22 22 ILE CA C 13 63.40 0.20 . 1 . . . A 22 ILE CA . 18134 1 12 . 1 1 22 22 ILE CB C 13 39.15 0.20 . 1 . . . A 22 ILE CB . 18134 1 13 . 1 1 22 22 ILE CG1 C 13 27.44 0.20 . 1 . . . A 22 ILE CG1 . 18134 1 14 . 1 1 22 22 ILE CG2 C 13 17.78 0.20 . 1 . . . A 22 ILE CG2 . 18134 1 15 . 1 1 22 22 ILE CD1 C 13 13.32 0.20 . 1 . . . A 22 ILE CD1 . 18134 1 16 . 1 1 23 23 SER H H 1 8.37 0.01 . 1 . . . A 23 SER H . 18134 1 17 . 1 1 23 23 SER HA H 1 4.17 0.01 . 1 . . . A 23 SER HA . 18134 1 18 . 1 1 23 23 SER N N 15 120.77 0.50 . 1 . . . A 23 SER N . 18134 1 19 . 1 1 26 26 ARG H H 1 8.16 0.01 . 1 . . . A 26 ARG H . 18134 1 20 . 1 1 26 26 ARG HA H 1 4.42 0.01 . 1 . . . A 26 ARG HA . 18134 1 21 . 1 1 26 26 ARG HB2 H 1 2.04 0.01 . 1 . . . A 26 ARG HB2 . 18134 1 22 . 1 1 26 26 ARG HB3 H 1 2.04 0.01 . 1 . . . A 26 ARG HB3 . 18134 1 23 . 1 1 26 26 ARG HG2 H 1 1.61 0.01 . 1 . . . A 26 ARG HG2 . 18134 1 24 . 1 1 26 26 ARG HG3 H 1 1.61 0.01 . 1 . . . A 26 ARG HG3 . 18134 1 25 . 1 1 26 26 ARG HD2 H 1 3.15 0.01 . 1 . . . A 26 ARG HD2 . 18134 1 26 . 1 1 26 26 ARG HD3 H 1 3.15 0.01 . 1 . . . A 26 ARG HD3 . 18134 1 27 . 1 1 26 26 ARG CA C 13 56.40 0.20 . 1 . . . A 26 ARG CA . 18134 1 28 . 1 1 26 26 ARG CB C 13 30.22 0.20 . 1 . . . A 26 ARG CB . 18134 1 29 . 1 1 26 26 ARG CG C 13 27.32 0.20 . 1 . . . A 26 ARG CG . 18134 1 30 . 1 1 26 26 ARG CD C 13 44.09 0.20 . 1 . . . A 26 ARG CD . 18134 1 31 . 1 1 26 26 ARG N N 15 123.96 0.50 . 1 . . . A 26 ARG N . 18134 1 32 . 1 1 27 27 THR H H 1 8.15 0.01 . 1 . . . A 27 THR H . 18134 1 33 . 1 1 27 27 THR HA H 1 4.24 0.01 . 1 . . . A 27 THR HA . 18134 1 34 . 1 1 27 27 THR HB H 1 4.18 0.01 . 1 . . . A 27 THR HB . 18134 1 35 . 1 1 27 27 THR HG21 H 1 1.19 0.01 . 1 . . . A 27 THR HG21 . 18134 1 36 . 1 1 27 27 THR HG22 H 1 1.19 0.01 . 1 . . . A 27 THR HG22 . 18134 1 37 . 1 1 27 27 THR HG23 H 1 1.19 0.01 . 1 . . . A 27 THR HG23 . 18134 1 38 . 1 1 27 27 THR CA C 13 61.71 0.20 . 1 . . . A 27 THR CA . 18134 1 39 . 1 1 27 27 THR CB C 13 70.28 0.20 . 1 . . . A 27 THR CB . 18134 1 40 . 1 1 27 27 THR CG2 C 13 22.01 0.20 . 1 . . . A 27 THR CG2 . 18134 1 41 . 1 1 27 27 THR N N 15 117.40 0.50 . 1 . . . A 27 THR N . 18134 1 42 . 1 1 28 28 LEU H H 1 8.23 0.01 . 1 . . . A 28 LEU H . 18134 1 43 . 1 1 28 28 LEU HA H 1 4.30 0.01 . 1 . . . A 28 LEU HA . 18134 1 44 . 1 1 28 28 LEU HB2 H 1 1.59 0.01 . 1 . . . A 28 LEU HB2 . 18134 1 45 . 1 1 28 28 LEU HB3 H 1 1.59 0.01 . 1 . . . A 28 LEU HB3 . 18134 1 46 . 1 1 28 28 LEU HG H 1 1.60 0.01 . 1 . . . A 28 LEU HG . 18134 1 47 . 1 1 28 28 LEU HD11 H 1 0.81 0.01 . 2 . . . A 28 LEU HD11 . 18134 1 48 . 1 1 28 28 LEU HD12 H 1 0.81 0.01 . 2 . . . A 28 LEU HD12 . 18134 1 49 . 1 1 28 28 LEU HD13 H 1 0.81 0.01 . 2 . . . A 28 LEU HD13 . 18134 1 50 . 1 1 28 28 LEU HD21 H 1 0.85 0.01 . 2 . . . A 28 LEU HD21 . 18134 1 51 . 1 1 28 28 LEU HD22 H 1 0.85 0.01 . 2 . . . A 28 LEU HD22 . 18134 1 52 . 1 1 28 28 LEU HD23 H 1 0.85 0.01 . 2 . . . A 28 LEU HD23 . 18134 1 53 . 1 1 28 28 LEU CA C 13 55.80 0.20 . 1 . . . A 28 LEU CA . 18134 1 54 . 1 1 28 28 LEU CB C 13 42.65 0.20 . 1 . . . A 28 LEU CB . 18134 1 55 . 1 1 28 28 LEU CG C 13 27.32 0.20 . 1 . . . A 28 LEU CG . 18134 1 56 . 1 1 28 28 LEU CD1 C 13 25.03 0.20 . 2 . . . A 28 LEU CD1 . 18134 1 57 . 1 1 28 28 LEU CD2 C 13 23.82 0.20 . 2 . . . A 28 LEU CD2 . 18134 1 58 . 1 1 28 28 LEU N N 15 125.24 0.50 . 1 . . . A 28 LEU N . 18134 1 59 . 1 1 29 29 GLU H H 1 8.36 0.01 . 1 . . . A 29 GLU H . 18134 1 60 . 1 1 29 29 GLU HA H 1 4.30 0.01 . 1 . . . A 29 GLU HA . 18134 1 61 . 1 1 29 29 GLU HB2 H 1 2.08 0.01 . 2 . . . A 29 GLU HB2 . 18134 1 62 . 1 1 29 29 GLU HB3 H 1 1.97 0.01 . 2 . . . A 29 GLU HB3 . 18134 1 63 . 1 1 29 29 GLU HG2 H 1 2.29 0.01 . 1 . . . A 29 GLU HG2 . 18134 1 64 . 1 1 29 29 GLU HG3 H 1 2.29 0.01 . 1 . . . A 29 GLU HG3 . 18134 1 65 . 1 1 29 29 GLU CA C 13 57.13 0.20 . 1 . . . A 29 GLU CA . 18134 1 66 . 1 1 29 29 GLU CB C 13 30.34 0.20 . 1 . . . A 29 GLU CB . 18134 1 67 . 1 1 29 29 GLU CG C 13 36.49 0.20 . 1 . . . A 29 GLU CG . 18134 1 68 . 1 1 29 29 GLU N N 15 123.42 0.50 . 1 . . . A 29 GLU N . 18134 1 69 . 1 1 30 30 GLN H H 1 8.09 0.01 . 1 . . . A 30 GLN H . 18134 1 70 . 1 1 30 30 GLN HA H 1 4.54 0.01 . 1 . . . A 30 GLN HA . 18134 1 71 . 1 1 30 30 GLN HB2 H 1 2.14 0.01 . 1 . . . A 30 GLN HB2 . 18134 1 72 . 1 1 30 30 GLN HB3 H 1 2.14 0.01 . 1 . . . A 30 GLN HB3 . 18134 1 73 . 1 1 30 30 GLN HG2 H 1 2.40 0.01 . 1 . . . A 30 GLN HG2 . 18134 1 74 . 1 1 30 30 GLN HG3 H 1 2.40 0.01 . 1 . . . A 30 GLN HG3 . 18134 1 75 . 1 1 30 30 GLN HE21 H 1 6.76 0.01 . 2 . . . A 30 GLN HE21 . 18134 1 76 . 1 1 30 30 GLN HE22 H 1 7.58 0.01 . 2 . . . A 30 GLN HE22 . 18134 1 77 . 1 1 30 30 GLN CA C 13 55.92 0.20 . 1 . . . A 30 GLN CA . 18134 1 78 . 1 1 30 30 GLN CB C 13 31.30 0.20 . 1 . . . A 30 GLN CB . 18134 1 79 . 1 1 30 30 GLN CG C 13 33.84 0.20 . 1 . . . A 30 GLN CG . 18134 1 80 . 1 1 30 30 GLN N N 15 122.83 0.50 . 1 . . . A 30 GLN N . 18134 1 81 . 1 1 30 30 GLN NE2 N 15 112.12 0.50 . 1 . . . A 30 GLN NE2 . 18134 1 82 . 1 1 31 31 SER H H 1 8.76 0.01 . 1 . . . A 31 SER H . 18134 1 83 . 1 1 31 31 SER HA H 1 4.70 0.01 . 1 . . . A 31 SER HA . 18134 1 84 . 1 1 31 31 SER HB2 H 1 4.36 0.01 . 2 . . . A 31 SER HB2 . 18134 1 85 . 1 1 31 31 SER HB3 H 1 4.09 0.01 . 2 . . . A 31 SER HB3 . 18134 1 86 . 1 1 31 31 SER CA C 13 57.61 0.20 . 1 . . . A 31 SER CA . 18134 1 87 . 1 1 31 31 SER CB C 13 65.90 0.20 . 1 . . . A 31 SER CB . 18134 1 88 . 1 1 31 31 SER N N 15 120.59 0.50 . 1 . . . A 31 SER N . 18134 1 89 . 1 1 32 32 VAL H H 1 9.03 0.01 . 1 . . . A 32 VAL H . 18134 1 90 . 1 1 32 32 VAL HA H 1 3.77 0.01 . 1 . . . A 32 VAL HA . 18134 1 91 . 1 1 32 32 VAL HB H 1 2.12 0.01 . 1 . . . A 32 VAL HB . 18134 1 92 . 1 1 32 32 VAL HG11 H 1 1.08 0.01 . 1 . . . A 32 VAL HG11 . 18134 1 93 . 1 1 32 32 VAL HG12 H 1 1.08 0.01 . 1 . . . A 32 VAL HG12 . 18134 1 94 . 1 1 32 32 VAL HG13 H 1 1.08 0.01 . 1 . . . A 32 VAL HG13 . 18134 1 95 . 1 1 32 32 VAL HG21 H 1 1.03 0.01 . 1 . . . A 32 VAL HG21 . 18134 1 96 . 1 1 32 32 VAL HG22 H 1 1.03 0.01 . 1 . . . A 32 VAL HG22 . 18134 1 97 . 1 1 32 32 VAL HG23 H 1 1.03 0.01 . 1 . . . A 32 VAL HG23 . 18134 1 98 . 1 1 32 32 VAL CA C 13 67.63 0.20 . 1 . . . A 32 VAL CA . 18134 1 99 . 1 1 32 32 VAL CB C 13 32.27 0.20 . 1 . . . A 32 VAL CB . 18134 1 100 . 1 1 32 32 VAL CG1 C 13 21.53 0.20 . 1 . . . A 32 VAL CG1 . 18134 1 101 . 1 1 32 32 VAL CG2 C 13 23.34 0.20 . 1 . . . A 32 VAL CG2 . 18134 1 102 . 1 1 32 32 VAL N N 15 124.16 0.50 . 1 . . . A 32 VAL N . 18134 1 103 . 1 1 33 33 GLY H H 1 9.02 0.01 . 1 . . . A 33 GLY H . 18134 1 104 . 1 1 33 33 GLY HA2 H 1 3.60 0.01 . 2 . . . A 33 GLY HA2 . 18134 1 105 . 1 1 33 33 GLY HA3 H 1 4.00 0.01 . 2 . . . A 33 GLY HA3 . 18134 1 106 . 1 1 33 33 GLY CA C 13 48.20 0.20 . 1 . . . A 33 GLY CA . 18134 1 107 . 1 1 33 33 GLY N N 15 110.07 0.50 . 1 . . . A 33 GLY N . 18134 1 108 . 1 1 34 34 GLU H H 1 7.96 0.01 . 1 . . . A 34 GLU H . 18134 1 109 . 1 1 34 34 GLU HA H 1 4.08 0.01 . 1 . . . A 34 GLU HA . 18134 1 110 . 1 1 34 34 GLU HB2 H 1 2.18 0.01 . 2 . . . A 34 GLU HB2 . 18134 1 111 . 1 1 34 34 GLU HB3 H 1 2.11 0.01 . 2 . . . A 34 GLU HB3 . 18134 1 112 . 1 1 34 34 GLU HG2 H 1 2.36 0.01 . 2 . . . A 34 GLU HG2 . 18134 1 113 . 1 1 34 34 GLU HG3 H 1 2.27 0.01 . 2 . . . A 34 GLU HG3 . 18134 1 114 . 1 1 34 34 GLU CA C 13 59.42 0.20 . 1 . . . A 34 GLU CA . 18134 1 115 . 1 1 34 34 GLU CB C 13 30.34 0.20 . 1 . . . A 34 GLU CB . 18134 1 116 . 1 1 34 34 GLU CG C 13 37.58 0.20 . 1 . . . A 34 GLU CG . 18134 1 117 . 1 1 34 34 GLU N N 15 124.85 0.50 . 1 . . . A 34 GLU N . 18134 1 118 . 1 1 35 35 TRP H H 1 8.58 0.01 . 1 . . . A 35 TRP H . 18134 1 119 . 1 1 35 35 TRP HA H 1 4.24 0.01 . 1 . . . A 35 TRP HA . 18134 1 120 . 1 1 35 35 TRP HB2 H 1 3.47 0.01 . 2 . . . A 35 TRP HB2 . 18134 1 121 . 1 1 35 35 TRP HB3 H 1 3.10 0.01 . 2 . . . A 35 TRP HB3 . 18134 1 122 . 1 1 35 35 TRP HD1 H 1 7.24 0.01 . 1 . . . A 35 TRP HD1 . 18134 1 123 . 1 1 35 35 TRP HE1 H 1 9.98 0.01 . 1 . . . A 35 TRP HE1 . 18134 1 124 . 1 1 35 35 TRP HE3 H 1 7.44 0.01 . 1 . . . A 35 TRP HE3 . 18134 1 125 . 1 1 35 35 TRP HZ2 H 1 7.02 0.01 . 1 . . . A 35 TRP HZ2 . 18134 1 126 . 1 1 35 35 TRP HZ3 H 1 6.64 0.01 . 1 . . . A 35 TRP HZ3 . 18134 1 127 . 1 1 35 35 TRP HH2 H 1 6.90 0.01 . 1 . . . A 35 TRP HH2 . 18134 1 128 . 1 1 35 35 TRP CA C 13 61.71 0.20 . 1 . . . A 35 TRP CA . 18134 1 129 . 1 1 35 35 TRP CB C 13 28.28 0.20 . 1 . . . A 35 TRP CB . 18134 1 130 . 1 1 35 35 TRP CD1 C 13 127.08 0.20 . 1 . . . A 35 TRP CD1 . 18134 1 131 . 1 1 35 35 TRP CE3 C 13 120.25 0.20 . 1 . . . A 35 TRP CE3 . 18134 1 132 . 1 1 35 35 TRP CZ2 C 13 114.07 0.20 . 1 . . . A 35 TRP CZ2 . 18134 1 133 . 1 1 35 35 TRP CZ3 C 13 121.48 0.20 . 1 . . . A 35 TRP CZ3 . 18134 1 134 . 1 1 35 35 TRP CH2 C 13 122.36 0.20 . 1 . . . A 35 TRP CH2 . 18134 1 135 . 1 1 35 35 TRP N N 15 125.67 0.50 . 1 . . . A 35 TRP N . 18134 1 136 . 1 1 35 35 TRP NE1 N 15 131.62 0.50 . 1 . . . A 35 TRP NE1 . 18134 1 137 . 1 1 36 36 LEU H H 1 9.13 0.01 . 1 . . . A 36 LEU H . 18134 1 138 . 1 1 36 36 LEU HA H 1 3.35 0.01 . 1 . . . A 36 LEU HA . 18134 1 139 . 1 1 36 36 LEU HB2 H 1 1.89 0.01 . 2 . . . A 36 LEU HB2 . 18134 1 140 . 1 1 36 36 LEU HB3 H 1 0.79 0.01 . 2 . . . A 36 LEU HB3 . 18134 1 141 . 1 1 36 36 LEU HG H 1 2.08 0.01 . 1 . . . A 36 LEU HG . 18134 1 142 . 1 1 36 36 LEU HD11 H 1 0.83 0.01 . 1 . . . A 36 LEU HD11 . 18134 1 143 . 1 1 36 36 LEU HD12 H 1 0.83 0.01 . 1 . . . A 36 LEU HD12 . 18134 1 144 . 1 1 36 36 LEU HD13 H 1 0.83 0.01 . 1 . . . A 36 LEU HD13 . 18134 1 145 . 1 1 36 36 LEU HD21 H 1 0.56 0.01 . 1 . . . A 36 LEU HD21 . 18134 1 146 . 1 1 36 36 LEU HD22 H 1 0.56 0.01 . 1 . . . A 36 LEU HD22 . 18134 1 147 . 1 1 36 36 LEU HD23 H 1 0.56 0.01 . 1 . . . A 36 LEU HD23 . 18134 1 148 . 1 1 36 36 LEU CA C 13 57.37 0.20 . 1 . . . A 36 LEU CA . 18134 1 149 . 1 1 36 36 LEU CB C 13 41.92 0.20 . 1 . . . A 36 LEU CB . 18134 1 150 . 1 1 36 36 LEU CG C 13 26.59 0.20 . 1 . . . A 36 LEU CG . 18134 1 151 . 1 1 36 36 LEU CD1 C 13 26.47 0.20 . 1 . . . A 36 LEU CD1 . 18134 1 152 . 1 1 36 36 LEU CD2 C 13 22.85 0.20 . 1 . . . A 36 LEU CD2 . 18134 1 153 . 1 1 36 36 LEU N N 15 121.44 0.50 . 1 . . . A 36 LEU N . 18134 1 154 . 1 1 37 37 GLU H H 1 8.25 0.01 . 1 . . . A 37 GLU H . 18134 1 155 . 1 1 37 37 GLU HA H 1 4.01 0.01 . 1 . . . A 37 GLU HA . 18134 1 156 . 1 1 37 37 GLU HB2 H 1 2.18 0.01 . 2 . . . A 37 GLU HB2 . 18134 1 157 . 1 1 37 37 GLU HB3 H 1 2.11 0.01 . 2 . . . A 37 GLU HB3 . 18134 1 158 . 1 1 37 37 GLU HG2 H 1 2.26 0.01 . 2 . . . A 37 GLU HG2 . 18134 1 159 . 1 1 37 37 GLU HG3 H 1 2.16 0.01 . 2 . . . A 37 GLU HG3 . 18134 1 160 . 1 1 37 37 GLU CA C 13 59.06 0.20 . 1 . . . A 37 GLU CA . 18134 1 161 . 1 1 37 37 GLU CB C 13 29.06 0.20 . 1 . . . A 37 GLU CB . 18134 1 162 . 1 1 37 37 GLU CG C 13 36.49 0.20 . 1 . . . A 37 GLU CG . 18134 1 163 . 1 1 37 37 GLU N N 15 122.29 0.50 . 1 . . . A 37 GLU N . 18134 1 164 . 1 1 38 38 SER H H 1 7.85 0.01 . 1 . . . A 38 SER H . 18134 1 165 . 1 1 38 38 SER HA H 1 4.28 0.01 . 1 . . . A 38 SER HA . 18134 1 166 . 1 1 38 38 SER HB2 H 1 4.02 0.01 . 2 . . . A 38 SER HB2 . 18134 1 167 . 1 1 38 38 SER HB3 H 1 3.98 0.01 . 2 . . . A 38 SER HB3 . 18134 1 168 . 1 1 38 38 SER CA C 13 61.82 0.20 . 1 . . . A 38 SER CA . 18134 1 169 . 1 1 38 38 SER CB C 13 63.65 0.20 . 1 . . . A 38 SER CB . 18134 1 170 . 1 1 38 38 SER N N 15 118.85 0.50 . 1 . . . A 38 SER N . 18134 1 171 . 1 1 39 39 ILE H H 1 6.94 0.01 . 1 . . . A 39 ILE H . 18134 1 172 . 1 1 39 39 ILE HA H 1 4.51 0.01 . 1 . . . A 39 ILE HA . 18134 1 173 . 1 1 39 39 ILE HB H 1 1.87 0.01 . 1 . . . A 39 ILE HB . 18134 1 174 . 1 1 39 39 ILE HG12 H 1 0.79 0.01 . 2 . . . A 39 ILE HG12 . 18134 1 175 . 1 1 39 39 ILE HG13 H 1 0.73 0.01 . 2 . . . A 39 ILE HG13 . 18134 1 176 . 1 1 39 39 ILE HG21 H 1 0.52 0.01 . 1 . . . A 39 ILE HG21 . 18134 1 177 . 1 1 39 39 ILE HG22 H 1 0.52 0.01 . 1 . . . A 39 ILE HG22 . 18134 1 178 . 1 1 39 39 ILE HG23 H 1 0.52 0.01 . 1 . . . A 39 ILE HG23 . 18134 1 179 . 1 1 39 39 ILE HD11 H 1 -0.04 0.01 . 1 . . . A 39 ILE HD11 . 18134 1 180 . 1 1 39 39 ILE HD12 H 1 -0.04 0.01 . 1 . . . A 39 ILE HD12 . 18134 1 181 . 1 1 39 39 ILE HD13 H 1 -0.04 0.01 . 1 . . . A 39 ILE HD13 . 18134 1 182 . 1 1 39 39 ILE CA C 13 60.99 0.20 . 1 . . . A 39 ILE CA . 18134 1 183 . 1 1 39 39 ILE CB C 13 38.66 0.20 . 1 . . . A 39 ILE CB . 18134 1 184 . 1 1 39 39 ILE CG1 C 13 25.63 0.20 . 1 . . . A 39 ILE CG1 . 18134 1 185 . 1 1 39 39 ILE CG2 C 13 17.06 0.20 . 1 . . . A 39 ILE CG2 . 18134 1 186 . 1 1 39 39 ILE CD1 C 13 14.42 0.20 . 1 . . . A 39 ILE CD1 . 18134 1 187 . 1 1 39 39 ILE N N 15 115.19 0.50 . 1 . . . A 39 ILE N . 18134 1 188 . 1 1 40 40 GLY H H 1 7.63 0.01 . 1 . . . A 40 GLY H . 18134 1 189 . 1 1 40 40 GLY HA2 H 1 3.99 0.01 . 1 . . . A 40 GLY HA2 . 18134 1 190 . 1 1 40 40 GLY HA3 H 1 3.99 0.01 . 1 . . . A 40 GLY HA3 . 18134 1 191 . 1 1 40 40 GLY CA C 13 47.18 0.20 . 1 . . . A 40 GLY CA . 18134 1 192 . 1 1 40 40 GLY N N 15 112.25 0.50 . 1 . . . A 40 GLY N . 18134 1 193 . 1 1 41 41 LEU H H 1 7.81 0.01 . 1 . . . A 41 LEU H . 18134 1 194 . 1 1 41 41 LEU HA H 1 4.77 0.01 . 1 . . . A 41 LEU HA . 18134 1 195 . 1 1 41 41 LEU HB2 H 1 1.09 0.01 . 2 . . . A 41 LEU HB2 . 18134 1 196 . 1 1 41 41 LEU HB3 H 1 1.83 0.01 . 2 . . . A 41 LEU HB3 . 18134 1 197 . 1 1 41 41 LEU HG H 1 1.33 0.01 . 1 . . . A 41 LEU HG . 18134 1 198 . 1 1 41 41 LEU HD11 H 1 0.65 0.01 . 2 . . . A 41 LEU HD11 . 18134 1 199 . 1 1 41 41 LEU HD12 H 1 0.65 0.01 . 2 . . . A 41 LEU HD12 . 18134 1 200 . 1 1 41 41 LEU HD13 H 1 0.65 0.01 . 2 . . . A 41 LEU HD13 . 18134 1 201 . 1 1 41 41 LEU HD21 H 1 0.42 0.01 . 2 . . . A 41 LEU HD21 . 18134 1 202 . 1 1 41 41 LEU HD22 H 1 0.42 0.01 . 2 . . . A 41 LEU HD22 . 18134 1 203 . 1 1 41 41 LEU HD23 H 1 0.42 0.01 . 2 . . . A 41 LEU HD23 . 18134 1 204 . 1 1 41 41 LEU CA C 13 53.63 0.20 . 1 . . . A 41 LEU CA . 18134 1 205 . 1 1 41 41 LEU CB C 13 43.13 0.20 . 1 . . . A 41 LEU CB . 18134 1 206 . 1 1 41 41 LEU CG C 13 25.87 0.20 . 1 . . . A 41 LEU CG . 18134 1 207 . 1 1 41 41 LEU CD1 C 13 26.84 0.20 . 2 . . . A 41 LEU CD1 . 18134 1 208 . 1 1 41 41 LEU CD2 C 13 22.68 0.20 . 2 . . . A 41 LEU CD2 . 18134 1 209 . 1 1 41 41 LEU N N 15 121.47 0.50 . 1 . . . A 41 LEU N . 18134 1 210 . 1 1 42 42 GLN H H 1 9.07 0.01 . 1 . . . A 42 GLN H . 18134 1 211 . 1 1 42 42 GLN HA H 1 3.89 0.01 . 1 . . . A 42 GLN HA . 18134 1 212 . 1 1 42 42 GLN HB2 H 1 2.04 0.01 . 2 . . . A 42 GLN HB2 . 18134 1 213 . 1 1 42 42 GLN HB3 H 1 1.93 0.01 . 2 . . . A 42 GLN HB3 . 18134 1 214 . 1 1 42 42 GLN HG2 H 1 2.46 0.01 . 2 . . . A 42 GLN HG2 . 18134 1 215 . 1 1 42 42 GLN HG3 H 1 2.41 0.01 . 2 . . . A 42 GLN HG3 . 18134 1 216 . 1 1 42 42 GLN HE21 H 1 6.93 0.01 . 2 . . . A 42 GLN HE21 . 18134 1 217 . 1 1 42 42 GLN HE22 H 1 7.68 0.01 . 2 . . . A 42 GLN HE22 . 18134 1 218 . 1 1 42 42 GLN CA C 13 59.41 0.20 . 1 . . . A 42 GLN CA . 18134 1 219 . 1 1 42 42 GLN CB C 13 27.56 0.20 . 1 . . . A 42 GLN CB . 18134 1 220 . 1 1 42 42 GLN CG C 13 33.59 0.20 . 1 . . . A 42 GLN CG . 18134 1 221 . 1 1 42 42 GLN N N 15 122.31 0.50 . 1 . . . A 42 GLN N . 18134 1 222 . 1 1 42 42 GLN NE2 N 15 114.40 0.50 . 1 . . . A 42 GLN NE2 . 18134 1 223 . 1 1 43 43 GLN HA H 1 4.24 0.01 . 1 . . . A 43 GLN HA . 18134 1 224 . 1 1 43 43 GLN HB2 H 1 1.93 0.01 . 2 . . . A 43 GLN HB2 . 18134 1 225 . 1 1 43 43 GLN HB3 H 1 1.78 0.01 . 2 . . . A 43 GLN HB3 . 18134 1 226 . 1 1 43 43 GLN HG2 H 1 1.40 0.01 . 2 . . . A 43 GLN HG2 . 18134 1 227 . 1 1 43 43 GLN HG3 H 1 0.92 0.01 . 2 . . . A 43 GLN HG3 . 18134 1 228 . 1 1 43 43 GLN HE21 H 1 6.93 0.01 . 2 . . . A 43 GLN HE21 . 18134 1 229 . 1 1 43 43 GLN HE22 H 1 7.22 0.01 . 2 . . . A 43 GLN HE22 . 18134 1 230 . 1 1 43 43 GLN CA C 13 58.00 0.20 . 1 . . . A 43 GLN CA . 18134 1 231 . 1 1 43 43 GLN CB C 13 27.32 0.20 . 1 . . . A 43 GLN CB . 18134 1 232 . 1 1 43 43 GLN CG C 13 32.03 0.20 . 1 . . . A 43 GLN CG . 18134 1 233 . 1 1 43 43 GLN NE2 N 15 113.52 0.50 . 1 . . . A 43 GLN NE2 . 18134 1 234 . 1 1 44 44 TYR H H 1 7.64 0.01 . 1 . . . A 44 TYR H . 18134 1 235 . 1 1 44 44 TYR HA H 1 4.79 0.01 . 1 . . . A 44 TYR HA . 18134 1 236 . 1 1 44 44 TYR HB2 H 1 3.38 0.01 . 2 . . . A 44 TYR HB2 . 18134 1 237 . 1 1 44 44 TYR HB3 H 1 2.57 0.01 . 2 . . . A 44 TYR HB3 . 18134 1 238 . 1 1 44 44 TYR HD1 H 1 7.02 0.01 . 3 . . . A 44 TYR HD1 . 18134 1 239 . 1 1 44 44 TYR HD2 H 1 7.02 0.01 . 3 . . . A 44 TYR HD2 . 18134 1 240 . 1 1 44 44 TYR HE1 H 1 6.86 0.01 . 3 . . . A 44 TYR HE1 . 18134 1 241 . 1 1 44 44 TYR HE2 H 1 6.86 0.01 . 3 . . . A 44 TYR HE2 . 18134 1 242 . 1 1 44 44 TYR CA C 13 58.58 0.20 . 1 . . . A 44 TYR CA . 18134 1 243 . 1 1 44 44 TYR CB C 13 38.30 0.20 . 1 . . . A 44 TYR CB . 18134 1 244 . 1 1 44 44 TYR N N 15 121.18 0.50 . 1 . . . A 44 TYR N . 18134 1 245 . 1 1 45 45 GLU H H 1 7.85 0.01 . 1 . . . A 45 GLU H . 18134 1 246 . 1 1 45 45 GLU HA H 1 3.61 0.01 . 1 . . . A 45 GLU HA . 18134 1 247 . 1 1 45 45 GLU HB2 H 1 2.20 0.01 . 1 . . . A 45 GLU HB2 . 18134 1 248 . 1 1 45 45 GLU HB3 H 1 2.20 0.01 . 1 . . . A 45 GLU HB3 . 18134 1 249 . 1 1 45 45 GLU HG2 H 1 2.22 0.01 . 2 . . . A 45 GLU HG2 . 18134 1 250 . 1 1 45 45 GLU HG3 H 1 2.02 0.01 . 2 . . . A 45 GLU HG3 . 18134 1 251 . 1 1 45 45 GLU CA C 13 61.59 0.20 . 1 . . . A 45 GLU CA . 18134 1 252 . 1 1 45 45 GLU CB C 13 30.09 0.20 . 1 . . . A 45 GLU CB . 18134 1 253 . 1 1 45 45 GLU CG C 13 36.25 0.20 . 1 . . . A 45 GLU CG . 18134 1 254 . 1 1 45 45 GLU N N 15 124.81 0.50 . 1 . . . A 45 GLU N . 18134 1 255 . 1 1 46 46 SER H H 1 8.79 0.01 . 1 . . . A 46 SER H . 18134 1 256 . 1 1 46 46 SER HA H 1 4.00 0.01 . 1 . . . A 46 SER HA . 18134 1 257 . 1 1 46 46 SER HB2 H 1 4.24 0.01 . 1 . . . A 46 SER HB2 . 18134 1 258 . 1 1 46 46 SER HB3 H 1 4.24 0.01 . 1 . . . A 46 SER HB3 . 18134 1 259 . 1 1 46 46 SER CA C 13 62.92 0.20 . 1 . . . A 46 SER CA . 18134 1 260 . 1 1 46 46 SER N N 15 114.66 0.50 . 1 . . . A 46 SER N . 18134 1 261 . 1 1 47 47 LYS H H 1 7.81 0.01 . 1 . . . A 47 LYS H . 18134 1 262 . 1 1 47 47 LYS HA H 1 4.12 0.01 . 1 . . . A 47 LYS HA . 18134 1 263 . 1 1 47 47 LYS HB2 H 1 1.89 0.01 . 1 . . . A 47 LYS HB2 . 18134 1 264 . 1 1 47 47 LYS HB3 H 1 1.89 0.01 . 1 . . . A 47 LYS HB3 . 18134 1 265 . 1 1 47 47 LYS CA C 13 59.56 0.20 . 1 . . . A 47 LYS CA . 18134 1 266 . 1 1 47 47 LYS CB C 13 32.95 0.20 . 1 . . . A 47 LYS CB . 18134 1 267 . 1 1 47 47 LYS CG C 13 27.44 0.20 . 1 . . . A 47 LYS CG . 18134 1 268 . 1 1 47 47 LYS N N 15 122.81 0.50 . 1 . . . A 47 LYS N . 18134 1 269 . 1 1 48 48 LEU H H 1 8.01 0.01 . 1 . . . A 48 LEU H . 18134 1 270 . 1 1 48 48 LEU HA H 1 4.21 0.01 . 1 . . . A 48 LEU HA . 18134 1 271 . 1 1 48 48 LEU HB2 H 1 1.89 0.01 . 2 . . . A 48 LEU HB2 . 18134 1 272 . 1 1 48 48 LEU HB3 H 1 2.10 0.01 . 2 . . . A 48 LEU HB3 . 18134 1 273 . 1 1 48 48 LEU HG H 1 1.76 0.01 . 1 . . . A 48 LEU HG . 18134 1 274 . 1 1 48 48 LEU HD11 H 1 0.91 0.01 . 1 . . . A 48 LEU HD11 . 18134 1 275 . 1 1 48 48 LEU HD12 H 1 0.91 0.01 . 1 . . . A 48 LEU HD12 . 18134 1 276 . 1 1 48 48 LEU HD13 H 1 0.91 0.01 . 1 . . . A 48 LEU HD13 . 18134 1 277 . 1 1 48 48 LEU HD21 H 1 0.80 0.01 . 1 . . . A 48 LEU HD21 . 18134 1 278 . 1 1 48 48 LEU HD22 H 1 0.80 0.01 . 1 . . . A 48 LEU HD22 . 18134 1 279 . 1 1 48 48 LEU HD23 H 1 0.80 0.01 . 1 . . . A 48 LEU HD23 . 18134 1 280 . 1 1 48 48 LEU CA C 13 59.42 0.20 . 1 . . . A 48 LEU CA . 18134 1 281 . 1 1 48 48 LEU CB C 13 40.35 0.20 . 1 . . . A 48 LEU CB . 18134 1 282 . 1 1 48 48 LEU CG C 13 29.61 0.20 . 1 . . . A 48 LEU CG . 18134 1 283 . 1 1 48 48 LEU CD1 C 13 26.59 0.20 . 1 . . . A 48 LEU CD1 . 18134 1 284 . 1 1 48 48 LEU CD2 C 13 24.30 0.20 . 1 . . . A 48 LEU CD2 . 18134 1 285 . 1 1 48 48 LEU N N 15 121.42 0.50 . 1 . . . A 48 LEU N . 18134 1 286 . 1 1 49 49 LEU H H 1 8.52 0.01 . 1 . . . A 49 LEU H . 18134 1 287 . 1 1 49 49 LEU HA H 1 3.89 0.01 . 1 . . . A 49 LEU HA . 18134 1 288 . 1 1 49 49 LEU HB2 H 1 1.88 0.01 . 2 . . . A 49 LEU HB2 . 18134 1 289 . 1 1 49 49 LEU HB3 H 1 1.59 0.01 . 2 . . . A 49 LEU HB3 . 18134 1 290 . 1 1 49 49 LEU HG H 1 1.96 0.01 . 1 . . . A 49 LEU HG . 18134 1 291 . 1 1 49 49 LEU HD11 H 1 1.01 0.01 . 2 . . . A 49 LEU HD11 . 18134 1 292 . 1 1 49 49 LEU HD12 H 1 1.01 0.01 . 2 . . . A 49 LEU HD12 . 18134 1 293 . 1 1 49 49 LEU HD13 H 1 1.01 0.01 . 2 . . . A 49 LEU HD13 . 18134 1 294 . 1 1 49 49 LEU HD21 H 1 1.01 0.01 . 2 . . . A 49 LEU HD21 . 18134 1 295 . 1 1 49 49 LEU HD22 H 1 1.01 0.01 . 2 . . . A 49 LEU HD22 . 18134 1 296 . 1 1 49 49 LEU HD23 H 1 1.01 0.01 . 2 . . . A 49 LEU HD23 . 18134 1 297 . 1 1 49 49 LEU CA C 13 59.06 0.20 . 1 . . . A 49 LEU CA . 18134 1 298 . 1 1 49 49 LEU CB C 13 41.92 0.20 . 1 . . . A 49 LEU CB . 18134 1 299 . 1 1 49 49 LEU CG C 13 27.56 0.20 . 1 . . . A 49 LEU CG . 18134 1 300 . 1 1 49 49 LEU CD1 C 13 25.63 0.20 . 2 . . . A 49 LEU CD1 . 18134 1 301 . 1 1 49 49 LEU CD2 C 13 22.87 0.20 . 2 . . . A 49 LEU CD2 . 18134 1 302 . 1 1 49 49 LEU N N 15 121.26 0.50 . 1 . . . A 49 LEU N . 18134 1 303 . 1 1 50 50 LEU H H 1 8.53 0.01 . 1 . . . A 50 LEU H . 18134 1 304 . 1 1 50 50 LEU HA H 1 4.22 0.01 . 1 . . . A 50 LEU HA . 18134 1 305 . 1 1 50 50 LEU HB2 H 1 1.88 0.01 . 2 . . . A 50 LEU HB2 . 18134 1 306 . 1 1 50 50 LEU HB3 H 1 1.64 0.01 . 2 . . . A 50 LEU HB3 . 18134 1 307 . 1 1 50 50 LEU HG H 1 1.82 0.01 . 1 . . . A 50 LEU HG . 18134 1 308 . 1 1 50 50 LEU HD11 H 1 0.91 0.01 . 2 . . . A 50 LEU HD11 . 18134 1 309 . 1 1 50 50 LEU HD12 H 1 0.91 0.01 . 2 . . . A 50 LEU HD12 . 18134 1 310 . 1 1 50 50 LEU HD13 H 1 0.91 0.01 . 2 . . . A 50 LEU HD13 . 18134 1 311 . 1 1 50 50 LEU HD21 H 1 0.91 0.01 . 2 . . . A 50 LEU HD21 . 18134 1 312 . 1 1 50 50 LEU HD22 H 1 0.91 0.01 . 2 . . . A 50 LEU HD22 . 18134 1 313 . 1 1 50 50 LEU HD23 H 1 0.91 0.01 . 2 . . . A 50 LEU HD23 . 18134 1 314 . 1 1 50 50 LEU CA C 13 57.01 0.20 . 1 . . . A 50 LEU CA . 18134 1 315 . 1 1 50 50 LEU CB C 13 42.16 0.20 . 1 . . . A 50 LEU CB . 18134 1 316 . 1 1 50 50 LEU CG C 13 27.44 0.20 . 1 . . . A 50 LEU CG . 18134 1 317 . 1 1 50 50 LEU CD1 C 13 24.78 0.20 . 2 . . . A 50 LEU CD1 . 18134 1 318 . 1 1 50 50 LEU CD2 C 13 23.70 0.20 . 2 . . . A 50 LEU CD2 . 18134 1 319 . 1 1 50 50 LEU N N 15 121.26 0.50 . 1 . . . A 50 LEU N . 18134 1 320 . 1 1 51 51 ASN H H 1 7.28 0.01 . 1 . . . A 51 ASN H . 18134 1 321 . 1 1 51 51 ASN HA H 1 4.84 0.01 . 1 . . . A 51 ASN HA . 18134 1 322 . 1 1 51 51 ASN HB2 H 1 2.71 0.01 . 2 . . . A 51 ASN HB2 . 18134 1 323 . 1 1 51 51 ASN HB3 H 1 3.05 0.01 . 2 . . . A 51 ASN HB3 . 18134 1 324 . 1 1 51 51 ASN HD21 H 1 7.41 0.01 . 2 . . . A 51 ASN HD21 . 18134 1 325 . 1 1 51 51 ASN HD22 H 1 8.66 0.01 . 2 . . . A 51 ASN HD22 . 18134 1 326 . 1 1 51 51 ASN CA C 13 54.11 0.20 . 1 . . . A 51 ASN CA . 18134 1 327 . 1 1 51 51 ASN CB C 13 40.96 0.20 . 1 . . . A 51 ASN CB . 18134 1 328 . 1 1 51 51 ASN N N 15 116.66 0.50 . 1 . . . A 51 ASN N . 18134 1 329 . 1 1 51 51 ASN ND2 N 15 119.6 0.50 . 1 . . . A 51 ASN ND2 . 18134 1 330 . 1 1 52 52 GLY H H 1 7.72 0.01 . 1 . . . A 52 GLY H . 18134 1 331 . 1 1 52 52 GLY HA2 H 1 3.93 0.01 . 2 . . . A 52 GLY HA2 . 18134 1 332 . 1 1 52 52 GLY HA3 H 1 3.70 0.01 . 2 . . . A 52 GLY HA3 . 18134 1 333 . 1 1 52 52 GLY CA C 13 46.13 0.20 . 1 . . . A 52 GLY CA . 18134 1 334 . 1 1 52 52 GLY N N 15 107.53 0.50 . 1 . . . A 52 GLY N . 18134 1 335 . 1 1 53 53 PHE H H 1 8.21 0.01 . 1 . . . A 53 PHE H . 18134 1 336 . 1 1 53 53 PHE HA H 1 4.80 0.01 . 1 . . . A 53 PHE HA . 18134 1 337 . 1 1 53 53 PHE HB2 H 1 3.05 0.01 . 2 . . . A 53 PHE HB2 . 18134 1 338 . 1 1 53 53 PHE HB3 H 1 3.00 0.01 . 2 . . . A 53 PHE HB3 . 18134 1 339 . 1 1 53 53 PHE HD1 H 1 7.09 0.01 . 3 . . . A 53 PHE HD1 . 18134 1 340 . 1 1 53 53 PHE HD2 H 1 7.09 0.01 . 3 . . . A 53 PHE HD2 . 18134 1 341 . 1 1 53 53 PHE HE1 H 1 7.17 0.01 . 3 . . . A 53 PHE HE1 . 18134 1 342 . 1 1 53 53 PHE HE2 H 1 7.24 0.01 . 3 . . . A 53 PHE HE2 . 18134 1 343 . 1 1 53 53 PHE HZ H 1 7.26 0.01 . 1 . . . A 53 PHE HZ . 18134 1 344 . 1 1 53 53 PHE CA C 13 56.65 0.20 . 1 . . . A 53 PHE CA . 18134 1 345 . 1 1 53 53 PHE CB C 13 38.10 0.20 . 1 . . . A 53 PHE CB . 18134 1 346 . 1 1 53 53 PHE N N 15 123.43 0.50 . 1 . . . A 53 PHE N . 18134 1 347 . 1 1 54 54 ASP H H 1 7.72 0.01 . 1 . . . A 54 ASP H . 18134 1 348 . 1 1 54 54 ASP HA H 1 4.57 0.01 . 1 . . . A 54 ASP HA . 18134 1 349 . 1 1 54 54 ASP HB2 H 1 2.93 0.01 . 2 . . . A 54 ASP HB2 . 18134 1 350 . 1 1 54 54 ASP HB3 H 1 2.49 0.01 . 2 . . . A 54 ASP HB3 . 18134 1 351 . 1 1 54 54 ASP CA C 13 53.99 0.20 . 1 . . . A 54 ASP CA . 18134 1 352 . 1 1 54 54 ASP CB C 13 41.80 0.20 . 1 . . . A 54 ASP CB . 18134 1 353 . 1 1 54 54 ASP N N 15 117.17 0.50 . 1 . . . A 54 ASP N . 18134 1 354 . 1 1 55 55 ASP H H 1 7.83 0.01 . 1 . . . A 55 ASP H . 18134 1 355 . 1 1 55 55 ASP HA H 1 4.66 0.01 . 1 . . . A 55 ASP HA . 18134 1 356 . 1 1 55 55 ASP HB2 H 1 2.72 0.01 . 2 . . . A 55 ASP HB2 . 18134 1 357 . 1 1 55 55 ASP HB3 H 1 2.58 0.01 . 2 . . . A 55 ASP HB3 . 18134 1 358 . 1 1 55 55 ASP CB C 13 39.27 0.20 . 1 . . . A 55 ASP CB . 18134 1 359 . 1 1 55 55 ASP N N 15 121.39 0.50 . 1 . . . A 55 ASP N . 18134 1 360 . 1 1 56 56 VAL H H 1 8.80 0.01 . 1 . . . A 56 VAL H . 18134 1 361 . 1 1 56 56 VAL HA H 1 3.41 0.01 . 1 . . . A 56 VAL HA . 18134 1 362 . 1 1 56 56 VAL HB H 1 1.72 0.01 . 1 . . . A 56 VAL HB . 18134 1 363 . 1 1 56 56 VAL HG11 H 1 0.34 0.01 . 1 . . . A 56 VAL HG11 . 18134 1 364 . 1 1 56 56 VAL HG12 H 1 0.34 0.01 . 1 . . . A 56 VAL HG12 . 18134 1 365 . 1 1 56 56 VAL HG13 H 1 0.34 0.01 . 1 . . . A 56 VAL HG13 . 18134 1 366 . 1 1 56 56 VAL HG21 H 1 0.60 0.01 . 1 . . . A 56 VAL HG21 . 18134 1 367 . 1 1 56 56 VAL HG22 H 1 0.60 0.01 . 1 . . . A 56 VAL HG22 . 18134 1 368 . 1 1 56 56 VAL HG23 H 1 0.60 0.01 . 1 . . . A 56 VAL HG23 . 18134 1 369 . 1 1 56 56 VAL CA C 13 66.06 0.20 . 1 . . . A 56 VAL CA . 18134 1 370 . 1 1 56 56 VAL CB C 13 31.78 0.20 . 1 . . . A 56 VAL CB . 18134 1 371 . 1 1 56 56 VAL CG1 C 13 21.28 0.20 . 1 . . . A 56 VAL CG1 . 18134 1 372 . 1 1 56 56 VAL CG2 C 13 21.41 0.20 . 1 . . . A 56 VAL CG2 . 18134 1 373 . 1 1 57 57 HIS H H 1 8.39 0.01 . 1 . . . A 57 HIS H . 18134 1 374 . 1 1 57 57 HIS HA H 1 4.20 0.01 . 1 . . . A 57 HIS HA . 18134 1 375 . 1 1 57 57 HIS HB2 H 1 3.05 0.01 . 1 . . . A 57 HIS HB2 . 18134 1 376 . 1 1 57 57 HIS HB3 H 1 3.05 0.01 . 1 . . . A 57 HIS HB3 . 18134 1 377 . 1 1 57 57 HIS HD2 H 1 6.97 0.01 . 1 . . . A 57 HIS HD2 . 18134 1 378 . 1 1 57 57 HIS HE1 H 1 7.81 0.01 . 1 . . . A 57 HIS HE1 . 18134 1 379 . 1 1 57 57 HIS CB C 13 29.13 0.20 . 1 . . . A 57 HIS CB . 18134 1 380 . 1 1 57 57 HIS N N 15 121.39 0.50 . 1 . . . A 57 HIS N . 18134 1 381 . 1 1 58 58 PHE H H 1 7.93 0.01 . 1 . . . A 58 PHE H . 18134 1 382 . 1 1 58 58 PHE HA H 1 4.36 0.01 . 1 . . . A 58 PHE HA . 18134 1 383 . 1 1 58 58 PHE HB2 H 1 3.23 0.01 . 2 . . . A 58 PHE HB2 . 18134 1 384 . 1 1 58 58 PHE HB3 H 1 3.16 0.01 . 2 . . . A 58 PHE HB3 . 18134 1 385 . 1 1 58 58 PHE HD1 H 1 7.17 0.01 . 3 . . . A 58 PHE HD1 . 18134 1 386 . 1 1 58 58 PHE HD2 H 1 7.17 0.01 . 3 . . . A 58 PHE HD2 . 18134 1 387 . 1 1 58 58 PHE HE1 H 1 7.23 0.01 . 3 . . . A 58 PHE HE1 . 18134 1 388 . 1 1 58 58 PHE HE2 H 1 7.23 0.01 . 3 . . . A 58 PHE HE2 . 18134 1 389 . 1 1 58 58 PHE HZ H 1 7.33 0.01 . 1 . . . A 58 PHE HZ . 18134 1 390 . 1 1 58 58 PHE CA C 13 60.15 0.20 . 1 . . . A 58 PHE CA . 18134 1 391 . 1 1 58 58 PHE CB C 13 39.87 0.20 . 1 . . . A 58 PHE CB . 18134 1 392 . 1 1 58 58 PHE N N 15 121.98 0.50 . 1 . . . A 58 PHE N . 18134 1 393 . 1 1 59 59 LEU H H 1 7.73 0.01 . 1 . . . A 59 LEU H . 18134 1 394 . 1 1 59 59 LEU HA H 1 4.04 0.01 . 1 . . . A 59 LEU HA . 18134 1 395 . 1 1 59 59 LEU HB2 H 1 1.60 0.01 . 2 . . . A 59 LEU HB2 . 18134 1 396 . 1 1 59 59 LEU HB3 H 1 1.29 0.01 . 2 . . . A 59 LEU HB3 . 18134 1 397 . 1 1 59 59 LEU HG H 1 1.57 0.01 . 1 . . . A 59 LEU HG . 18134 1 398 . 1 1 59 59 LEU HD11 H 1 0.66 0.01 . 2 . . . A 59 LEU HD11 . 18134 1 399 . 1 1 59 59 LEU HD12 H 1 0.66 0.01 . 2 . . . A 59 LEU HD12 . 18134 1 400 . 1 1 59 59 LEU HD13 H 1 0.66 0.01 . 2 . . . A 59 LEU HD13 . 18134 1 401 . 1 1 59 59 LEU HD21 H 1 0.72 0.01 . 2 . . . A 59 LEU HD21 . 18134 1 402 . 1 1 59 59 LEU HD22 H 1 0.72 0.01 . 2 . . . A 59 LEU HD22 . 18134 1 403 . 1 1 59 59 LEU HD23 H 1 0.72 0.01 . 2 . . . A 59 LEU HD23 . 18134 1 404 . 1 1 59 59 LEU CA C 13 57.73 0.20 . 1 . . . A 59 LEU CA . 18134 1 405 . 1 1 59 59 LEU CB C 13 41.92 0.20 . 1 . . . A 59 LEU CB . 18134 1 406 . 1 1 59 59 LEU CG C 13 27.44 0.20 . 1 . . . A 59 LEU CG . 18134 1 407 . 1 1 59 59 LEU CD1 C 13 26.11 0.20 . 2 . . . A 59 LEU CD1 . 18134 1 408 . 1 1 59 59 LEU CD2 C 13 24.18 0.20 . 2 . . . A 59 LEU CD2 . 18134 1 409 . 1 1 59 59 LEU N N 15 121.80 0.50 . 1 . . . A 59 LEU N . 18134 1 410 . 1 1 60 60 GLY H H 1 7.80 0.01 . 1 . . . A 60 GLY H . 18134 1 411 . 1 1 60 60 GLY HA2 H 1 3.96 0.01 . 2 . . . A 60 GLY HA2 . 18134 1 412 . 1 1 60 60 GLY HA3 H 1 3.66 0.01 . 2 . . . A 60 GLY HA3 . 18134 1 413 . 1 1 60 60 GLY CA C 13 46.10 0.20 . 1 . . . A 60 GLY CA . 18134 1 414 . 1 1 60 60 GLY N N 15 106.18 0.50 . 1 . . . A 60 GLY N . 18134 1 415 . 1 1 61 61 SER H H 1 7.61 0.01 . 1 . . . A 61 SER H . 18134 1 416 . 1 1 61 61 SER HA H 1 4.77 0.01 . 1 . . . A 61 SER HA . 18134 1 417 . 1 1 61 61 SER HB2 H 1 4.40 0.01 . 2 . . . A 61 SER HB2 . 18134 1 418 . 1 1 61 61 SER HB3 H 1 3.87 0.01 . 2 . . . A 61 SER HB3 . 18134 1 419 . 1 1 61 61 SER CA C 13 59.37 0.20 . 1 . . . A 61 SER CA . 18134 1 420 . 1 1 61 61 SER CB C 13 64.45 0.20 . 1 . . . A 61 SER CB . 18134 1 421 . 1 1 61 61 SER N N 15 116.15 0.50 . 1 . . . A 61 SER N . 18134 1 422 . 1 1 62 62 ASN HA H 1 4.67 0.01 . 1 . . . A 62 ASN HA . 18134 1 423 . 1 1 62 62 ASN HB2 H 1 2.70 0.01 . 2 . . . A 62 ASN HB2 . 18134 1 424 . 1 1 62 62 ASN HB3 H 1 2.61 0.01 . 2 . . . A 62 ASN HB3 . 18134 1 425 . 1 1 62 62 ASN HD21 H 1 7.35 0.01 . 2 . . . A 62 ASN HD21 . 18134 1 426 . 1 1 62 62 ASN HD22 H 1 6.80 0.01 . 2 . . . A 62 ASN HD22 . 18134 1 427 . 1 1 62 62 ASN CA C 13 53.87 0.20 . 1 . . . A 62 ASN CA . 18134 1 428 . 1 1 62 62 ASN CB C 13 39.15 0.20 . 1 . . . A 62 ASN CB . 18134 1 429 . 1 1 62 62 ASN ND2 N 15 115.44 0.50 . 1 . . . A 62 ASN ND2 . 18134 1 430 . 1 1 63 63 VAL H H 1 7.77 0.01 . 1 . . . A 63 VAL H . 18134 1 431 . 1 1 63 63 VAL HA H 1 4.09 0.01 . 1 . . . A 63 VAL HA . 18134 1 432 . 1 1 63 63 VAL HB H 1 2.05 0.01 . 1 . . . A 63 VAL HB . 18134 1 433 . 1 1 63 63 VAL HG11 H 1 0.88 0.01 . 1 . . . A 63 VAL HG11 . 18134 1 434 . 1 1 63 63 VAL HG12 H 1 0.88 0.01 . 1 . . . A 63 VAL HG12 . 18134 1 435 . 1 1 63 63 VAL HG13 H 1 0.88 0.01 . 1 . . . A 63 VAL HG13 . 18134 1 436 . 1 1 63 63 VAL HG21 H 1 0.84 0.01 . 1 . . . A 63 VAL HG21 . 18134 1 437 . 1 1 63 63 VAL HG22 H 1 0.84 0.01 . 1 . . . A 63 VAL HG22 . 18134 1 438 . 1 1 63 63 VAL HG23 H 1 0.84 0.01 . 1 . . . A 63 VAL HG23 . 18134 1 439 . 1 1 63 63 VAL CA C 13 62.68 0.20 . 1 . . . A 63 VAL CA . 18134 1 440 . 1 1 63 63 VAL CB C 13 32.87 0.20 . 1 . . . A 63 VAL CB . 18134 1 441 . 1 1 63 63 VAL CG1 C 13 21.28 0.20 . 1 . . . A 63 VAL CG1 . 18134 1 442 . 1 1 63 63 VAL CG2 C 13 21.16 0.20 . 1 . . . A 63 VAL CG2 . 18134 1 443 . 1 1 63 63 VAL N N 15 120.03 0.50 . 1 . . . A 63 VAL N . 18134 1 444 . 1 1 64 64 MET H H 1 7.90 0.01 . 1 . . . A 64 MET H . 18134 1 445 . 1 1 64 64 MET HA H 1 4.46 0.01 . 1 . . . A 64 MET HA . 18134 1 446 . 1 1 64 64 MET HB2 H 1 1.94 0.01 . 1 . . . A 64 MET HB2 . 18134 1 447 . 1 1 64 64 MET HB3 H 1 1.94 0.01 . 1 . . . A 64 MET HB3 . 18134 1 448 . 1 1 64 64 MET HG2 H 1 2.27 0.01 . 1 . . . A 64 MET HG2 . 18134 1 449 . 1 1 64 64 MET HG3 H 1 2.27 0.01 . 1 . . . A 64 MET HG3 . 18134 1 450 . 1 1 64 64 MET HE1 H 1 1.69 0.01 . 1 . . . A 64 MET HE1 . 18134 1 451 . 1 1 64 64 MET HE2 H 1 1.69 0.01 . 1 . . . A 64 MET HE2 . 18134 1 452 . 1 1 64 64 MET HE3 H 1 1.69 0.01 . 1 . . . A 64 MET HE3 . 18134 1 453 . 1 1 64 64 MET CA C 13 55.61 0.20 . 1 . . . A 64 MET CA . 18134 1 454 . 1 1 64 64 MET CB C 13 34.40 0.20 . 1 . . . A 64 MET CB . 18134 1 455 . 1 1 64 64 MET CG C 13 32.37 0.20 . 1 . . . A 64 MET CG . 18134 1 456 . 1 1 64 64 MET CE C 13 16.90 0.20 . 1 . . . A 64 MET CE . 18134 1 457 . 1 1 64 64 MET N N 15 125.40 0.50 . 1 . . . A 64 MET N . 18134 1 458 . 1 1 65 65 GLU H H 1 8.81 0.01 . 1 . . . A 65 GLU H . 18134 1 459 . 1 1 65 65 GLU HA H 1 4.68 0.01 . 1 . . . A 65 GLU HA . 18134 1 460 . 1 1 65 65 GLU HB2 H 1 2.31 0.01 . 2 . . . A 65 GLU HB2 . 18134 1 461 . 1 1 65 65 GLU HB3 H 1 1.89 0.01 . 2 . . . A 65 GLU HB3 . 18134 1 462 . 1 1 65 65 GLU HG2 H 1 2.28 0.01 . 1 . . . A 65 GLU HG2 . 18134 1 463 . 1 1 65 65 GLU HG3 H 1 2.28 0.01 . 1 . . . A 65 GLU HG3 . 18134 1 464 . 1 1 65 65 GLU CA C 13 54.72 0.20 . 1 . . . A 65 GLU CA . 18134 1 465 . 1 1 65 65 GLU CB C 13 33.00 0.20 . 1 . . . A 65 GLU CB . 18134 1 466 . 1 1 65 65 GLU CG C 13 36.61 0.20 . 1 . . . A 65 GLU CG . 18134 1 467 . 1 1 65 65 GLU N N 15 124.21 0.50 . 1 . . . A 65 GLU N . 18134 1 468 . 1 1 66 66 GLU H H 1 9.29 0.01 . 1 . . . A 66 GLU H . 18134 1 469 . 1 1 66 66 GLU HA H 1 3.66 0.01 . 1 . . . A 66 GLU HA . 18134 1 470 . 1 1 66 66 GLU HB2 H 1 2.01 0.01 . 2 . . . A 66 GLU HB2 . 18134 1 471 . 1 1 66 66 GLU HB3 H 1 2.09 0.01 . 2 . . . A 66 GLU HB3 . 18134 1 472 . 1 1 66 66 GLU HG2 H 1 2.19 0.01 . 1 . . . A 66 GLU HG2 . 18134 1 473 . 1 1 66 66 GLU HG3 H 1 2.19 0.01 . 1 . . . A 66 GLU HG3 . 18134 1 474 . 1 1 66 66 GLU CA C 13 61.62 0.20 . 1 . . . A 66 GLU CA . 18134 1 475 . 1 1 66 66 GLU CB C 13 29.25 0.20 . 1 . . . A 66 GLU CB . 18134 1 476 . 1 1 66 66 GLU CG C 13 37.69 0.20 . 1 . . . A 66 GLU CG . 18134 1 477 . 1 1 66 66 GLU N N 15 125.50 0.50 . 1 . . . A 66 GLU N . 18134 1 478 . 1 1 67 67 GLN H H 1 9.09 0.01 . 1 . . . A 67 GLN H . 18134 1 479 . 1 1 67 67 GLN HA H 1 3.74 0.01 . 1 . . . A 67 GLN HA . 18134 1 480 . 1 1 67 67 GLN HB2 H 1 2.20 0.01 . 2 . . . A 67 GLN HB2 . 18134 1 481 . 1 1 67 67 GLN HB3 H 1 1.95 0.01 . 2 . . . A 67 GLN HB3 . 18134 1 482 . 1 1 67 67 GLN HG2 H 1 2.42 0.01 . 1 . . . A 67 GLN HG2 . 18134 1 483 . 1 1 67 67 GLN HG3 H 1 2.42 0.01 . 1 . . . A 67 GLN HG3 . 18134 1 484 . 1 1 67 67 GLN HE21 H 1 8.02 0.01 . 2 . . . A 67 GLN HE21 . 18134 1 485 . 1 1 67 67 GLN HE22 H 1 6.90 0.01 . 2 . . . A 67 GLN HE22 . 18134 1 486 . 1 1 67 67 GLN CA C 13 59.06 0.20 . 1 . . . A 67 GLN CA . 18134 1 487 . 1 1 67 67 GLN CB C 13 29.08 0.20 . 1 . . . A 67 GLN CB . 18134 1 488 . 1 1 67 67 GLN CG C 13 34.44 0.20 . 1 . . . A 67 GLN CG . 18134 1 489 . 1 1 67 67 GLN N N 15 119.78 0.50 . 1 . . . A 67 GLN N . 18134 1 490 . 1 1 67 67 GLN NE2 N 15 117.53 0.50 . 1 . . . A 67 GLN NE2 . 18134 1 491 . 1 1 68 68 ASP H H 1 7.40 0.01 . 1 . . . A 68 ASP H . 18134 1 492 . 1 1 68 68 ASP HA H 1 4.46 0.01 . 1 . . . A 68 ASP HA . 18134 1 493 . 1 1 68 68 ASP HB2 H 1 2.94 0.01 . 2 . . . A 68 ASP HB2 . 18134 1 494 . 1 1 68 68 ASP HB3 H 1 2.77 0.01 . 2 . . . A 68 ASP HB3 . 18134 1 495 . 1 1 68 68 ASP CA C 13 57.80 0.20 . 1 . . . A 68 ASP CA . 18134 1 496 . 1 1 68 68 ASP CB C 13 41.39 0.20 . 1 . . . A 68 ASP CB . 18134 1 497 . 1 1 68 68 ASP N N 15 119.45 0.50 . 1 . . . A 68 ASP N . 18134 1 498 . 1 1 69 69 LEU H H 1 7.18 0.01 . 1 . . . A 69 LEU H . 18134 1 499 . 1 1 69 69 LEU HA H 1 4.14 0.01 . 1 . . . A 69 LEU HA . 18134 1 500 . 1 1 69 69 LEU HB2 H 1 1.93 0.01 . 2 . . . A 69 LEU HB2 . 18134 1 501 . 1 1 69 69 LEU HB3 H 1 1.22 0.01 . 2 . . . A 69 LEU HB3 . 18134 1 502 . 1 1 69 69 LEU HG H 1 1.68 0.01 . 1 . . . A 69 LEU HG . 18134 1 503 . 1 1 69 69 LEU HD11 H 1 0.87 0.01 . 2 . . . A 69 LEU HD11 . 18134 1 504 . 1 1 69 69 LEU HD12 H 1 0.87 0.01 . 2 . . . A 69 LEU HD12 . 18134 1 505 . 1 1 69 69 LEU HD13 H 1 0.87 0.01 . 2 . . . A 69 LEU HD13 . 18134 1 506 . 1 1 69 69 LEU HD21 H 1 0.64 0.01 . 2 . . . A 69 LEU HD21 . 18134 1 507 . 1 1 69 69 LEU HD22 H 1 0.64 0.01 . 2 . . . A 69 LEU HD22 . 18134 1 508 . 1 1 69 69 LEU HD23 H 1 0.64 0.01 . 2 . . . A 69 LEU HD23 . 18134 1 509 . 1 1 69 69 LEU CA C 13 56.53 0.20 . 1 . . . A 69 LEU CA . 18134 1 510 . 1 1 69 69 LEU CB C 13 41.56 0.20 . 1 . . . A 69 LEU CB . 18134 1 511 . 1 1 69 69 LEU CG C 13 26.35 0.20 . 1 . . . A 69 LEU CG . 18134 1 512 . 1 1 69 69 LEU CD1 C 13 27.68 0.20 . 2 . . . A 69 LEU CD1 . 18134 1 513 . 1 1 69 69 LEU CD2 C 13 22.01 0.20 . 2 . . . A 69 LEU CD2 . 18134 1 514 . 1 1 69 69 LEU N N 15 116.95 0.50 . 1 . . . A 69 LEU N . 18134 1 515 . 1 1 70 70 ARG H H 1 7.99 0.01 . 1 . . . A 70 ARG H . 18134 1 516 . 1 1 70 70 ARG HA H 1 3.92 0.01 . 1 . . . A 70 ARG HA . 18134 1 517 . 1 1 70 70 ARG HB2 H 1 1.94 0.01 . 2 . . . A 70 ARG HB2 . 18134 1 518 . 1 1 70 70 ARG HB3 H 1 1.75 0.01 . 2 . . . A 70 ARG HB3 . 18134 1 519 . 1 1 70 70 ARG HG2 H 1 1.50 0.01 . 2 . . . A 70 ARG HG2 . 18134 1 520 . 1 1 70 70 ARG HG3 H 1 1.64 0.01 . 2 . . . A 70 ARG HG3 . 18134 1 521 . 1 1 70 70 ARG HD2 H 1 3.21 0.01 . 2 . . . A 70 ARG HD2 . 18134 1 522 . 1 1 70 70 ARG HD3 H 1 3.15 0.01 . 2 . . . A 70 ARG HD3 . 18134 1 523 . 1 1 70 70 ARG CA C 13 59.78 0.20 . 1 . . . A 70 ARG CA . 18134 1 524 . 1 1 70 70 ARG CB C 13 30.22 0.20 . 1 . . . A 70 ARG CB . 18134 1 525 . 1 1 70 70 ARG CG C 13 27.92 0.20 . 1 . . . A 70 ARG CG . 18134 1 526 . 1 1 70 70 ARG CD C 13 43.85 0.20 . 1 . . . A 70 ARG CD . 18134 1 527 . 1 1 70 70 ARG N N 15 123.14 0.50 . 1 . . . A 70 ARG N . 18134 1 528 . 1 1 71 71 ASP H H 1 8.46 0.01 . 1 . . . A 71 ASP H . 18134 1 529 . 1 1 71 71 ASP HA H 1 4.45 0.01 . 1 . . . A 71 ASP HA . 18134 1 530 . 1 1 71 71 ASP HB2 H 1 2.88 0.01 . 2 . . . A 71 ASP HB2 . 18134 1 531 . 1 1 71 71 ASP HB3 H 1 2.77 0.01 . 2 . . . A 71 ASP HB3 . 18134 1 532 . 1 1 71 71 ASP CA C 13 57.36 0.20 . 1 . . . A 71 ASP CA . 18134 1 533 . 1 1 71 71 ASP CB C 13 40.55 0.20 . 1 . . . A 71 ASP CB . 18134 1 534 . 1 1 71 71 ASP N N 15 121.96 0.50 . 1 . . . A 71 ASP N . 18134 1 535 . 1 1 72 72 ILE H H 1 7.18 0.01 . 1 . . . A 72 ILE H . 18134 1 536 . 1 1 72 72 ILE HA H 1 4.49 0.01 . 1 . . . A 72 ILE HA . 18134 1 537 . 1 1 72 72 ILE HB H 1 2.24 0.01 . 1 . . . A 72 ILE HB . 18134 1 538 . 1 1 72 72 ILE HG12 H 1 1.55 0.01 . 2 . . . A 72 ILE HG12 . 18134 1 539 . 1 1 72 72 ILE HG13 H 1 1.35 0.01 . 2 . . . A 72 ILE HG13 . 18134 1 540 . 1 1 72 72 ILE HG21 H 1 0.99 0.01 . 1 . . . A 72 ILE HG21 . 18134 1 541 . 1 1 72 72 ILE HG22 H 1 0.99 0.01 . 1 . . . A 72 ILE HG22 . 18134 1 542 . 1 1 72 72 ILE HG23 H 1 0.99 0.01 . 1 . . . A 72 ILE HG23 . 18134 1 543 . 1 1 72 72 ILE HD11 H 1 0.75 0.01 . 1 . . . A 72 ILE HD11 . 18134 1 544 . 1 1 72 72 ILE HD12 H 1 0.75 0.01 . 1 . . . A 72 ILE HD12 . 18134 1 545 . 1 1 72 72 ILE HD13 H 1 0.75 0.01 . 1 . . . A 72 ILE HD13 . 18134 1 546 . 1 1 72 72 ILE CA C 13 61.96 0.20 . 1 . . . A 72 ILE CA . 18134 1 547 . 1 1 72 72 ILE CB C 13 38.30 0.20 . 1 . . . A 72 ILE CB . 18134 1 548 . 1 1 72 72 ILE CG1 C 13 26.72 0.20 . 1 . . . A 72 ILE CG1 . 18134 1 549 . 1 1 72 72 ILE CG2 C 13 17.78 0.20 . 1 . . . A 72 ILE CG2 . 18134 1 550 . 1 1 72 72 ILE CD1 C 13 14.77 0.20 . 1 . . . A 72 ILE CD1 . 18134 1 551 . 1 1 72 72 ILE N N 15 112.90 0.50 . 1 . . . A 72 ILE N . 18134 1 552 . 1 1 73 73 GLY H H 1 7.65 0.01 . 1 . . . A 73 GLY H . 18134 1 553 . 1 1 73 73 GLY HA2 H 1 4.35 0.01 . 2 . . . A 73 GLY HA2 . 18134 1 554 . 1 1 73 73 GLY HA3 H 1 3.76 0.01 . 2 . . . A 73 GLY HA3 . 18134 1 555 . 1 1 73 73 GLY CA C 13 46.15 0.20 . 1 . . . A 73 GLY CA . 18134 1 556 . 1 1 73 73 GLY N N 15 108.40 0.50 . 1 . . . A 73 GLY N . 18134 1 557 . 1 1 74 74 ILE H H 1 7.86 0.01 . 1 . . . A 74 ILE H . 18134 1 558 . 1 1 74 74 ILE HA H 1 4.13 0.01 . 1 . . . A 74 ILE HA . 18134 1 559 . 1 1 74 74 ILE HB H 1 1.57 0.01 . 1 . . . A 74 ILE HB . 18134 1 560 . 1 1 74 74 ILE HG12 H 1 0.59 0.01 . 2 . . . A 74 ILE HG12 . 18134 1 561 . 1 1 74 74 ILE HG13 H 1 1.23 0.01 . 2 . . . A 74 ILE HG13 . 18134 1 562 . 1 1 74 74 ILE HG21 H 1 0.41 0.01 . 1 . . . A 74 ILE HG21 . 18134 1 563 . 1 1 74 74 ILE HG22 H 1 0.41 0.01 . 1 . . . A 74 ILE HG22 . 18134 1 564 . 1 1 74 74 ILE HG23 H 1 0.41 0.01 . 1 . . . A 74 ILE HG23 . 18134 1 565 . 1 1 74 74 ILE HD11 H 1 0.33 0.01 . 1 . . . A 74 ILE HD11 . 18134 1 566 . 1 1 74 74 ILE HD12 H 1 0.33 0.01 . 1 . . . A 74 ILE HD12 . 18134 1 567 . 1 1 74 74 ILE HD13 H 1 0.33 0.01 . 1 . . . A 74 ILE HD13 . 18134 1 568 . 1 1 74 74 ILE CA C 13 61.23 0.20 . 1 . . . A 74 ILE CA . 18134 1 569 . 1 1 74 74 ILE CB C 13 34.44 0.20 . 1 . . . A 74 ILE CB . 18134 1 570 . 1 1 74 74 ILE CG1 C 13 26.84 0.20 . 1 . . . A 74 ILE CG1 . 18134 1 571 . 1 1 74 74 ILE CG2 C 13 16.82 0.20 . 1 . . . A 74 ILE CG2 . 18134 1 572 . 1 1 74 74 ILE CD1 C 13 13.20 0.20 . 1 . . . A 74 ILE CD1 . 18134 1 573 . 1 1 74 74 ILE N N 15 123.11 0.50 . 1 . . . A 74 ILE N . 18134 1 574 . 1 1 75 75 SER HA H 1 3.82 0.01 . 1 . . . A 75 SER HA . 18134 1 575 . 1 1 75 75 SER HB2 H 1 3.97 0.01 . 1 . . . A 75 SER HB2 . 18134 1 576 . 1 1 75 75 SER HB3 H 1 3.97 0.01 . 1 . . . A 75 SER HB3 . 18134 1 577 . 1 1 75 75 SER CA C 13 59.54 0.20 . 1 . . . A 75 SER CA . 18134 1 578 . 1 1 75 75 SER CB C 13 63.63 0.20 . 1 . . . A 75 SER CB . 18134 1 579 . 1 1 76 76 ASP H H 1 8.00 0.01 . 1 . . . A 76 ASP H . 18134 1 580 . 1 1 76 76 ASP HA H 1 4.80 0.01 . 1 . . . A 76 ASP HA . 18134 1 581 . 1 1 76 76 ASP HB2 H 1 2.55 0.01 . 2 . . . A 76 ASP HB2 . 18134 1 582 . 1 1 76 76 ASP HB3 H 1 2.37 0.01 . 2 . . . A 76 ASP HB3 . 18134 1 583 . 1 1 76 76 ASP CA C 13 52.30 0.20 . 1 . . . A 76 ASP CA . 18134 1 584 . 1 1 76 76 ASP CB C 13 42.04 0.20 . 1 . . . A 76 ASP CB . 18134 1 585 . 1 1 76 76 ASP N N 15 127.64 0.50 . 1 . . . A 76 ASP N . 18134 1 586 . 1 1 77 77 PRO HA H 1 3.99 0.01 . 1 . . . A 77 PRO HA . 18134 1 587 . 1 1 77 77 PRO HB2 H 1 2.39 0.01 . 1 . . . A 77 PRO HB2 . 18134 1 588 . 1 1 77 77 PRO HB3 H 1 2.39 0.01 . 1 . . . A 77 PRO HB3 . 18134 1 589 . 1 1 77 77 PRO HG2 H 1 2.11 0.01 . 2 . . . A 77 PRO HG2 . 18134 1 590 . 1 1 77 77 PRO HG3 H 1 2.01 0.01 . 2 . . . A 77 PRO HG3 . 18134 1 591 . 1 1 77 77 PRO HD2 H 1 3.77 0.01 . 2 . . . A 77 PRO HD2 . 18134 1 592 . 1 1 77 77 PRO HD3 H 1 4.25 0.01 . 2 . . . A 77 PRO HD3 . 18134 1 593 . 1 1 77 77 PRO CA C 13 65.58 0.20 . 1 . . . A 77 PRO CA . 18134 1 594 . 1 1 77 77 PRO CB C 13 34.44 0.20 . 1 . . . A 77 PRO CB . 18134 1 595 . 1 1 77 77 PRO CG C 13 27.80 0.20 . 1 . . . A 77 PRO CG . 18134 1 596 . 1 1 77 77 PRO CD C 13 51.58 0.20 . 1 . . . A 77 PRO CD . 18134 1 597 . 1 1 78 78 GLN H H 1 8.20 0.01 . 1 . . . A 78 GLN H . 18134 1 598 . 1 1 78 78 GLN HA H 1 4.15 0.01 . 1 . . . A 78 GLN HA . 18134 1 599 . 1 1 78 78 GLN HB2 H 1 2.19 0.01 . 2 . . . A 78 GLN HB2 . 18134 1 600 . 1 1 78 78 GLN HB3 H 1 2.13 0.01 . 2 . . . A 78 GLN HB3 . 18134 1 601 . 1 1 78 78 GLN HG2 H 1 2.48 0.01 . 2 . . . A 78 GLN HG2 . 18134 1 602 . 1 1 78 78 GLN HG3 H 1 2.41 0.01 . 2 . . . A 78 GLN HG3 . 18134 1 603 . 1 1 78 78 GLN HE21 H 1 6.76 0.01 . 2 . . . A 78 GLN HE21 . 18134 1 604 . 1 1 78 78 GLN HE22 H 1 7.64 0.01 . 2 . . . A 78 GLN HE22 . 18134 1 605 . 1 1 78 78 GLN CA C 13 59.18 0.20 . 1 . . . A 78 GLN CA . 18134 1 606 . 1 1 78 78 GLN CB C 13 27.80 0.20 . 1 . . . A 78 GLN CB . 18134 1 607 . 1 1 78 78 GLN CG C 13 34.80 0.20 . 1 . . . A 78 GLN CG . 18134 1 608 . 1 1 78 78 GLN N N 15 120.39 0.50 . 1 . . . A 78 GLN N . 18134 1 609 . 1 1 78 78 GLN NE2 N 15 113.43 0.50 . 1 . . . A 78 GLN NE2 . 18134 1 610 . 1 1 79 79 HIS H H 1 8.06 0.01 . 1 . . . A 79 HIS H . 18134 1 611 . 1 1 79 79 HIS HA H 1 4.40 0.01 . 1 . . . A 79 HIS HA . 18134 1 612 . 1 1 79 79 HIS HB2 H 1 3.21 0.01 . 2 . . . A 79 HIS HB2 . 18134 1 613 . 1 1 79 79 HIS HB3 H 1 2.96 0.01 . 2 . . . A 79 HIS HB3 . 18134 1 614 . 1 1 79 79 HIS HD2 H 1 6.84 0.01 . 1 . . . A 79 HIS HD2 . 18134 1 615 . 1 1 79 79 HIS HE1 H 1 7.79 0.01 . 1 . . . A 79 HIS HE1 . 18134 1 616 . 1 1 79 79 HIS CA C 13 57.49 0.20 . 1 . . . A 79 HIS CA . 18134 1 617 . 1 1 79 79 HIS CB C 13 31.18 0.20 . 1 . . . A 79 HIS CB . 18134 1 618 . 1 1 79 79 HIS CD2 C 13 119.80 0.20 . 1 . . . A 79 HIS CD2 . 18134 1 619 . 1 1 79 79 HIS CE1 C 13 138.92 0.20 . 1 . . . A 79 HIS CE1 . 18134 1 620 . 1 1 79 79 HIS N N 15 123.16 0.50 . 1 . . . A 79 HIS N . 18134 1 621 . 1 1 80 80 ARG H H 1 8.06 0.01 . 1 . . . A 80 ARG H . 18134 1 622 . 1 1 80 80 ARG HA H 1 3.76 0.01 . 1 . . . A 80 ARG HA . 18134 1 623 . 1 1 80 80 ARG HB2 H 1 2.10 0.01 . 2 . . . A 80 ARG HB2 . 18134 1 624 . 1 1 80 80 ARG HB3 H 1 1.55 0.01 . 2 . . . A 80 ARG HB3 . 18134 1 625 . 1 1 80 80 ARG HG2 H 1 1.05 0.01 . 2 . . . A 80 ARG HG2 . 18134 1 626 . 1 1 80 80 ARG HG3 H 1 1.85 0.01 . 2 . . . A 80 ARG HG3 . 18134 1 627 . 1 1 80 80 ARG HD2 H 1 3.49 0.01 . 2 . . . A 80 ARG HD2 . 18134 1 628 . 1 1 80 80 ARG HD3 H 1 3.10 0.01 . 2 . . . A 80 ARG HD3 . 18134 1 629 . 1 1 80 80 ARG CA C 13 61.84 0.20 . 1 . . . A 80 ARG CA . 18134 1 630 . 1 1 80 80 ARG CB C 13 31.78 0.20 . 1 . . . A 80 ARG CB . 18134 1 631 . 1 1 80 80 ARG CG C 13 30.70 0.20 . 1 . . . A 80 ARG CG . 18134 1 632 . 1 1 80 80 ARG CD C 13 44.58 0.20 . 1 . . . A 80 ARG CD . 18134 1 633 . 1 1 80 80 ARG N N 15 118.25 0.50 . 1 . . . A 80 ARG N . 18134 1 634 . 1 1 81 81 ARG H H 1 7.70 0.01 . 1 . . . A 81 ARG H . 18134 1 635 . 1 1 81 81 ARG HA H 1 3.93 0.01 . 1 . . . A 81 ARG HA . 18134 1 636 . 1 1 81 81 ARG HB2 H 1 1.93 0.01 . 2 . . . A 81 ARG HB2 . 18134 1 637 . 1 1 81 81 ARG HB3 H 1 1.69 0.01 . 2 . . . A 81 ARG HB3 . 18134 1 638 . 1 1 81 81 ARG HG2 H 1 1.71 0.01 . 2 . . . A 81 ARG HG2 . 18134 1 639 . 1 1 81 81 ARG HG3 H 1 1.62 0.01 . 2 . . . A 81 ARG HG3 . 18134 1 640 . 1 1 81 81 ARG HD2 H 1 3.20 0.01 . 2 . . . A 81 ARG HD2 . 18134 1 641 . 1 1 81 81 ARG HD3 H 1 3.16 0.01 . 2 . . . A 81 ARG HD3 . 18134 1 642 . 1 1 81 81 ARG CA C 13 60.27 0.20 . 1 . . . A 81 ARG CA . 18134 1 643 . 1 1 81 81 ARG CB C 13 30.22 0.20 . 1 . . . A 81 ARG CB . 18134 1 644 . 1 1 81 81 ARG CG C 13 27.92 0.20 . 1 . . . A 81 ARG CG . 18134 1 645 . 1 1 81 81 ARG CD C 13 43.73 0.20 . 1 . . . A 81 ARG CD . 18134 1 646 . 1 1 81 81 ARG N N 15 118.85 0.50 . 1 . . . A 81 ARG N . 18134 1 647 . 1 1 82 82 LYS H H 1 8.03 0.01 . 1 . . . A 82 LYS H . 18134 1 648 . 1 1 82 82 LYS HA H 1 4.05 0.01 . 1 . . . A 82 LYS HA . 18134 1 649 . 1 1 82 82 LYS HB2 H 1 1.98 0.01 . 2 . . . A 82 LYS HB2 . 18134 1 650 . 1 1 82 82 LYS HB3 H 1 1.87 0.01 . 2 . . . A 82 LYS HB3 . 18134 1 651 . 1 1 82 82 LYS HG2 H 1 1.55 0.01 . 2 . . . A 82 LYS HG2 . 18134 1 652 . 1 1 82 82 LYS HG3 H 1 1.35 0.01 . 2 . . . A 82 LYS HG3 . 18134 1 653 . 1 1 82 82 LYS HD2 H 1 1.67 0.01 . 1 . . . A 82 LYS HD2 . 18134 1 654 . 1 1 82 82 LYS HD3 H 1 1.67 0.01 . 1 . . . A 82 LYS HD3 . 18134 1 655 . 1 1 82 82 LYS HE2 H 1 2.99 0.01 . 1 . . . A 82 LYS HE2 . 18134 1 656 . 1 1 82 82 LYS HE3 H 1 2.99 0.01 . 1 . . . A 82 LYS HE3 . 18134 1 657 . 1 1 82 82 LYS CA C 13 59.66 0.20 . 1 . . . A 82 LYS CA . 18134 1 658 . 1 1 82 82 LYS CB C 13 33.11 0.20 . 1 . . . A 82 LYS CB . 18134 1 659 . 1 1 82 82 LYS CG C 13 25.62 0.20 . 1 . . . A 82 LYS CG . 18134 1 660 . 1 1 82 82 LYS CD C 13 29.73 0.20 . 1 . . . A 82 LYS CD . 18134 1 661 . 1 1 82 82 LYS CE C 13 42.77 0.20 . 1 . . . A 82 LYS CE . 18134 1 662 . 1 1 82 82 LYS N N 15 121.70 0.50 . 1 . . . A 82 LYS N . 18134 1 663 . 1 1 83 83 LEU H H 1 8.13 0.01 . 1 . . . A 83 LEU H . 18134 1 664 . 1 1 83 83 LEU HA H 1 3.81 0.01 . 1 . . . A 83 LEU HA . 18134 1 665 . 1 1 83 83 LEU HB2 H 1 1.79 0.01 . 2 . . . A 83 LEU HB2 . 18134 1 666 . 1 1 83 83 LEU HB3 H 1 1.48 0.01 . 2 . . . A 83 LEU HB3 . 18134 1 667 . 1 1 83 83 LEU HG H 1 1.63 0.01 . 1 . . . A 83 LEU HG . 18134 1 668 . 1 1 83 83 LEU HD11 H 1 0.75 0.01 . 2 . . . A 83 LEU HD11 . 18134 1 669 . 1 1 83 83 LEU HD12 H 1 0.75 0.01 . 2 . . . A 83 LEU HD12 . 18134 1 670 . 1 1 83 83 LEU HD13 H 1 0.75 0.01 . 2 . . . A 83 LEU HD13 . 18134 1 671 . 1 1 83 83 LEU HD21 H 1 0.71 0.01 . 2 . . . A 83 LEU HD21 . 18134 1 672 . 1 1 83 83 LEU HD22 H 1 0.71 0.01 . 2 . . . A 83 LEU HD22 . 18134 1 673 . 1 1 83 83 LEU HD23 H 1 0.71 0.01 . 2 . . . A 83 LEU HD23 . 18134 1 674 . 1 1 83 83 LEU CA C 13 58.46 0.20 . 1 . . . A 83 LEU CA . 18134 1 675 . 1 1 83 83 LEU CB C 13 42.65 0.20 . 1 . . . A 83 LEU CB . 18134 1 676 . 1 1 83 83 LEU CG C 13 28.28 0.20 . 1 . . . A 83 LEU CG . 18134 1 677 . 1 1 83 83 LEU CD1 C 13 25.58 0.20 . 2 . . . A 83 LEU CD1 . 18134 1 678 . 1 1 83 83 LEU CD2 C 13 26.28 0.20 . 2 . . . A 83 LEU CD2 . 18134 1 679 . 1 1 83 83 LEU N N 15 122.31 0.50 . 1 . . . A 83 LEU N . 18134 1 680 . 1 1 84 84 LEU H H 1 8.03 0.01 . 1 . . . A 84 LEU H . 18134 1 681 . 1 1 84 84 LEU HA H 1 3.97 0.01 . 1 . . . A 84 LEU HA . 18134 1 682 . 1 1 84 84 LEU HB2 H 1 1.75 0.01 . 2 . . . A 84 LEU HB2 . 18134 1 683 . 1 1 84 84 LEU HB3 H 1 1.52 0.01 . 2 . . . A 84 LEU HB3 . 18134 1 684 . 1 1 84 84 LEU HG H 1 1.70 0.01 . 1 . . . A 84 LEU HG . 18134 1 685 . 1 1 84 84 LEU HD11 H 1 0.73 0.01 . 1 . . . A 84 LEU HD11 . 18134 1 686 . 1 1 84 84 LEU HD12 H 1 0.73 0.01 . 1 . . . A 84 LEU HD12 . 18134 1 687 . 1 1 84 84 LEU HD13 H 1 0.73 0.01 . 1 . . . A 84 LEU HD13 . 18134 1 688 . 1 1 84 84 LEU HD21 H 1 0.73 0.01 . 1 . . . A 84 LEU HD21 . 18134 1 689 . 1 1 84 84 LEU HD22 H 1 0.73 0.01 . 1 . . . A 84 LEU HD22 . 18134 1 690 . 1 1 84 84 LEU HD23 H 1 0.73 0.01 . 1 . . . A 84 LEU HD23 . 18134 1 691 . 1 1 84 84 LEU CA C 13 58.34 0.20 . 1 . . . A 84 LEU CA . 18134 1 692 . 1 1 84 84 LEU CB C 13 42.04 0.20 . 1 . . . A 84 LEU CB . 18134 1 693 . 1 1 84 84 LEU CG C 13 26.84 0.20 . 1 . . . A 84 LEU CG . 18134 1 694 . 1 1 84 84 LEU CD1 C 13 25.15 0.20 . 1 . . . A 84 LEU CD1 . 18134 1 695 . 1 1 84 84 LEU CD2 C 13 24.06 0.20 . 1 . . . A 84 LEU CD2 . 18134 1 696 . 1 1 84 84 LEU N N 15 119.76 0.50 . 1 . . . A 84 LEU N . 18134 1 697 . 1 1 85 85 GLN H H 1 8.34 0.01 . 1 . . . A 85 GLN H . 18134 1 698 . 1 1 85 85 GLN HA H 1 4.00 0.01 . 1 . . . A 85 GLN HA . 18134 1 699 . 1 1 85 85 GLN HB2 H 1 2.18 0.01 . 2 . . . A 85 GLN HB2 . 18134 1 700 . 1 1 85 85 GLN HB3 H 1 2.11 0.01 . 2 . . . A 85 GLN HB3 . 18134 1 701 . 1 1 85 85 GLN HG2 H 1 2.52 0.01 . 2 . . . A 85 GLN HG2 . 18134 1 702 . 1 1 85 85 GLN HG3 H 1 2.40 0.01 . 2 . . . A 85 GLN HG3 . 18134 1 703 . 1 1 85 85 GLN HE21 H 1 7.50 0.01 . 2 . . . A 85 GLN HE21 . 18134 1 704 . 1 1 85 85 GLN HE22 H 1 6.88 0.01 . 2 . . . A 85 GLN HE22 . 18134 1 705 . 1 1 85 85 GLN CA C 13 59.00 0.20 . 1 . . . A 85 GLN CA . 18134 1 706 . 1 1 85 85 GLN CB C 13 28.89 0.20 . 1 . . . A 85 GLN CB . 18134 1 707 . 1 1 85 85 GLN CG C 13 34.44 0.20 . 1 . . . A 85 GLN CG . 18134 1 708 . 1 1 85 85 GLN N N 15 119.52 0.50 . 1 . . . A 85 GLN N . 18134 1 709 . 1 1 85 85 GLN NE2 N 15 113.76 0.50 . 1 . . . A 85 GLN NE2 . 18134 1 710 . 1 1 86 86 ALA H H 1 8.32 0.01 . 1 . . . A 86 ALA H . 18134 1 711 . 1 1 86 86 ALA HA H 1 4.29 0.01 . 1 . . . A 86 ALA HA . 18134 1 712 . 1 1 86 86 ALA HB1 H 1 1.64 0.01 . 1 . . . A 86 ALA HB1 . 18134 1 713 . 1 1 86 86 ALA HB2 H 1 1.64 0.01 . 1 . . . A 86 ALA HB2 . 18134 1 714 . 1 1 86 86 ALA HB3 H 1 1.64 0.01 . 1 . . . A 86 ALA HB3 . 18134 1 715 . 1 1 86 86 ALA CA C 13 55.20 0.20 . 1 . . . A 86 ALA CA . 18134 1 716 . 1 1 86 86 ALA CB C 13 19.35 0.20 . 1 . . . A 86 ALA CB . 18134 1 717 . 1 1 86 86 ALA N N 15 124.28 0.50 . 1 . . . A 86 ALA N . 18134 1 718 . 1 1 87 87 ALA H H 1 8.77 0.01 . 1 . . . A 87 ALA H . 18134 1 719 . 1 1 87 87 ALA HA H 1 4.05 0.01 . 1 . . . A 87 ALA HA . 18134 1 720 . 1 1 87 87 ALA HB1 H 1 1.48 0.01 . 1 . . . A 87 ALA HB1 . 18134 1 721 . 1 1 87 87 ALA HB2 H 1 1.48 0.01 . 1 . . . A 87 ALA HB2 . 18134 1 722 . 1 1 87 87 ALA HB3 H 1 1.48 0.01 . 1 . . . A 87 ALA HB3 . 18134 1 723 . 1 1 87 87 ALA CA C 13 55.32 0.20 . 1 . . . A 87 ALA CA . 18134 1 724 . 1 1 87 87 ALA CB C 13 18.15 0.20 . 1 . . . A 87 ALA CB . 18134 1 725 . 1 1 87 87 ALA N N 15 124.84 0.50 . 1 . . . A 87 ALA N . 18134 1 726 . 1 1 88 88 ARG H H 1 8.01 0.01 . 1 . . . A 88 ARG H . 18134 1 727 . 1 1 88 88 ARG HA H 1 4.24 0.01 . 1 . . . A 88 ARG HA . 18134 1 728 . 1 1 88 88 ARG HB2 H 1 1.94 0.01 . 1 . . . A 88 ARG HB2 . 18134 1 729 . 1 1 88 88 ARG HB3 H 1 1.94 0.01 . 1 . . . A 88 ARG HB3 . 18134 1 730 . 1 1 88 88 ARG HG2 H 1 1.46 0.01 . 1 . . . A 88 ARG HG2 . 18134 1 731 . 1 1 88 88 ARG HG3 H 1 1.46 0.01 . 1 . . . A 88 ARG HG3 . 18134 1 732 . 1 1 88 88 ARG HD2 H 1 3.15 0.01 . 1 . . . A 88 ARG HD2 . 18134 1 733 . 1 1 88 88 ARG HD3 H 1 3.15 0.01 . 1 . . . A 88 ARG HD3 . 18134 1 734 . 1 1 88 88 ARG CA C 13 58.09 0.20 . 1 . . . A 88 ARG CA . 18134 1 735 . 1 1 88 88 ARG CB C 13 30.44 0.20 . 1 . . . A 88 ARG CB . 18134 1 736 . 1 1 88 88 ARG CG C 13 27.78 0.20 . 1 . . . A 88 ARG CG . 18134 1 737 . 1 1 88 88 ARG CD C 13 43.95 0.20 . 1 . . . A 88 ARG CD . 18134 1 738 . 1 1 88 88 ARG N N 15 118.02 0.50 . 1 . . . A 88 ARG N . 18134 1 739 . 1 1 89 89 SER H H 1 7.62 0.01 . 1 . . . A 89 SER H . 18134 1 740 . 1 1 89 89 SER HA H 1 4.53 0.01 . 1 . . . A 89 SER HA . 18134 1 741 . 1 1 89 89 SER HB2 H 1 4.03 0.01 . 1 . . . A 89 SER HB2 . 18134 1 742 . 1 1 89 89 SER HB3 H 1 4.03 0.01 . 1 . . . A 89 SER HB3 . 18134 1 743 . 1 1 89 89 SER CA C 13 58.63 0.20 . 1 . . . A 89 SER CA . 18134 1 744 . 1 1 89 89 SER CB C 13 64.37 0.20 . 1 . . . A 89 SER CB . 18134 1 745 . 1 1 89 89 SER N N 15 115.06 0.50 . 1 . . . A 89 SER N . 18134 1 746 . 1 1 90 90 LEU H H 1 7.35 0.01 . 1 . . . A 90 LEU H . 18134 1 747 . 1 1 90 90 LEU HA H 1 4.41 0.01 . 1 . . . A 90 LEU HA . 18134 1 748 . 1 1 90 90 LEU HB2 H 1 1.70 0.01 . 2 . . . A 90 LEU HB2 . 18134 1 749 . 1 1 90 90 LEU HB3 H 1 1.35 0.01 . 2 . . . A 90 LEU HB3 . 18134 1 750 . 1 1 90 90 LEU HD11 H 1 0.42 0.01 . 2 . . . A 90 LEU HD11 . 18134 1 751 . 1 1 90 90 LEU HD12 H 1 0.42 0.01 . 2 . . . A 90 LEU HD12 . 18134 1 752 . 1 1 90 90 LEU HD13 H 1 0.42 0.01 . 2 . . . A 90 LEU HD13 . 18134 1 753 . 1 1 90 90 LEU HD21 H 1 0.57 0.01 . 2 . . . A 90 LEU HD21 . 18134 1 754 . 1 1 90 90 LEU HD22 H 1 0.57 0.01 . 2 . . . A 90 LEU HD22 . 18134 1 755 . 1 1 90 90 LEU HD23 H 1 0.57 0.01 . 2 . . . A 90 LEU HD23 . 18134 1 756 . 1 1 90 90 LEU CA C 13 54.47 0.20 . 1 . . . A 90 LEU CA . 18134 1 757 . 1 1 90 90 LEU CB C 13 41.44 0.20 . 1 . . . A 90 LEU CB . 18134 1 758 . 1 1 90 90 LEU CD1 C 13 25.75 0.20 . 2 . . . A 90 LEU CD1 . 18134 1 759 . 1 1 90 90 LEU CD2 C 13 23.10 0.20 . 2 . . . A 90 LEU CD2 . 18134 1 760 . 1 1 90 90 LEU N N 15 126.54 0.50 . 1 . . . A 90 LEU N . 18134 1 761 . 1 1 91 91 PRO HA H 1 4.39 0.01 . 1 . . . A 91 PRO HA . 18134 1 762 . 1 1 91 91 PRO HB2 H 1 2.28 0.01 . 2 . . . A 91 PRO HB2 . 18134 1 763 . 1 1 91 91 PRO HB3 H 1 1.92 0.01 . 2 . . . A 91 PRO HB3 . 18134 1 764 . 1 1 91 91 PRO HG2 H 1 2.03 0.01 . 1 . . . A 91 PRO HG2 . 18134 1 765 . 1 1 91 91 PRO HG3 H 1 2.03 0.01 . 1 . . . A 91 PRO HG3 . 18134 1 766 . 1 1 91 91 PRO HD2 H 1 3.53 0.01 . 2 . . . A 91 PRO HD2 . 18134 1 767 . 1 1 91 91 PRO HD3 H 1 3.82 0.01 . 2 . . . A 91 PRO HD3 . 18134 1 768 . 1 1 91 91 PRO CA C 13 63.28 0.20 . 1 . . . A 91 PRO CA . 18134 1 769 . 1 1 91 91 PRO CB C 13 32.51 0.20 . 1 . . . A 91 PRO CB . 18134 1 770 . 1 1 91 91 PRO CG C 13 27.80 0.20 . 1 . . . A 91 PRO CG . 18134 1 771 . 1 1 91 91 PRO CD C 13 51.22 0.20 . 1 . . . A 91 PRO CD . 18134 1 772 . 1 1 92 92 LYS H H 1 8.33 0.01 . 1 . . . A 92 LYS H . 18134 1 773 . 1 1 92 92 LYS HA H 1 4.32 0.01 . 1 . . . A 92 LYS HA . 18134 1 774 . 1 1 92 92 LYS HB2 H 1 1.82 0.01 . 1 . . . A 92 LYS HB2 . 18134 1 775 . 1 1 92 92 LYS HB3 H 1 1.82 0.01 . 1 . . . A 92 LYS HB3 . 18134 1 776 . 1 1 92 92 LYS HG2 H 1 1.46 0.01 . 2 . . . A 92 LYS HG2 . 18134 1 777 . 1 1 92 92 LYS HG3 H 1 1.40 0.01 . 2 . . . A 92 LYS HG3 . 18134 1 778 . 1 1 92 92 LYS HD2 H 1 1.70 0.01 . 2 . . . A 92 LYS HD2 . 18134 1 779 . 1 1 92 92 LYS HD3 H 1 1.66 0.01 . 2 . . . A 92 LYS HD3 . 18134 1 780 . 1 1 92 92 LYS HE2 H 1 3.01 0.01 . 1 . . . A 92 LYS HE2 . 18134 1 781 . 1 1 92 92 LYS HE3 H 1 3.01 0.01 . 1 . . . A 92 LYS HE3 . 18134 1 782 . 1 1 92 92 LYS CA C 13 56.28 0.20 . 1 . . . A 92 LYS CA . 18134 1 783 . 1 1 92 92 LYS CB C 13 33.35 0.20 . 1 . . . A 92 LYS CB . 18134 1 784 . 1 1 92 92 LYS CG C 13 25.15 0.20 . 1 . . . A 92 LYS CG . 18134 1 785 . 1 1 92 92 LYS CD C 13 29.49 0.20 . 1 . . . A 92 LYS CD . 18134 1 786 . 1 1 92 92 LYS N N 15 122.48 0.50 . 1 . . . A 92 LYS N . 18134 1 787 . 1 1 93 93 VAL H H 1 8.06 0.01 . 1 . . . A 93 VAL H . 18134 1 788 . 1 1 93 93 VAL HA H 1 4.07 0.01 . 1 . . . A 93 VAL HA . 18134 1 789 . 1 1 93 93 VAL HB H 1 1.99 0.01 . 1 . . . A 93 VAL HB . 18134 1 790 . 1 1 93 93 VAL HG11 H 1 0.90 0.01 . 2 . . . A 93 VAL HG11 . 18134 1 791 . 1 1 93 93 VAL HG12 H 1 0.90 0.01 . 2 . . . A 93 VAL HG12 . 18134 1 792 . 1 1 93 93 VAL HG13 H 1 0.90 0.01 . 2 . . . A 93 VAL HG13 . 18134 1 793 . 1 1 93 93 VAL HG21 H 1 0.87 0.01 . 2 . . . A 93 VAL HG21 . 18134 1 794 . 1 1 93 93 VAL HG22 H 1 0.87 0.01 . 2 . . . A 93 VAL HG22 . 18134 1 795 . 1 1 93 93 VAL HG23 H 1 0.87 0.01 . 2 . . . A 93 VAL HG23 . 18134 1 796 . 1 1 93 93 VAL CA C 13 63.13 0.20 . 1 . . . A 93 VAL CA . 18134 1 797 . 1 1 93 93 VAL CB C 13 33.23 0.20 . 1 . . . A 93 VAL CB . 18134 1 798 . 1 1 93 93 VAL CG1 C 13 20.98 0.20 . 2 . . . A 93 VAL CG1 . 18134 1 799 . 1 1 93 93 VAL CG2 C 13 20.85 0.20 . 2 . . . A 93 VAL CG2 . 18134 1 800 . 1 1 93 93 VAL N N 15 122.31 0.50 . 1 . . . A 93 VAL N . 18134 1 801 . 1 1 94 94 LYS H H 1 8.34 0.01 . 1 . . . A 94 LYS H . 18134 1 802 . 1 1 94 94 LYS HA H 1 4.29 0.01 . 1 . . . A 94 LYS HA . 18134 1 803 . 1 1 94 94 LYS HB2 H 1 1.78 0.01 . 2 . . . A 94 LYS HB2 . 18134 1 804 . 1 1 94 94 LYS HB3 H 1 1.73 0.01 . 2 . . . A 94 LYS HB3 . 18134 1 805 . 1 1 94 94 LYS HG2 H 1 1.46 0.01 . 2 . . . A 94 LYS HG2 . 18134 1 806 . 1 1 94 94 LYS HG3 H 1 1.41 0.01 . 2 . . . A 94 LYS HG3 . 18134 1 807 . 1 1 94 94 LYS HD2 H 1 1.68 0.01 . 2 . . . A 94 LYS HD2 . 18134 1 808 . 1 1 94 94 LYS HD3 H 1 1.65 0.01 . 2 . . . A 94 LYS HD3 . 18134 1 809 . 1 1 94 94 LYS HE2 H 1 3.01 0.01 . 2 . . . A 94 LYS HE2 . 18134 1 810 . 1 1 94 94 LYS HE3 H 1 2.96 0.01 . 2 . . . A 94 LYS HE3 . 18134 1 811 . 1 1 94 94 LYS CA C 13 56.53 0.20 . 1 . . . A 94 LYS CA . 18134 1 812 . 1 1 94 94 LYS CB C 13 33.47 0.20 . 1 . . . A 94 LYS CB . 18134 1 813 . 1 1 94 94 LYS CG C 13 25.03 0.20 . 1 . . . A 94 LYS CG . 18134 1 814 . 1 1 94 94 LYS CD C 13 29.37 0.20 . 1 . . . A 94 LYS CD . 18134 1 815 . 1 1 94 94 LYS CE C 13 42.65 0.20 . 1 . . . A 94 LYS CE . 18134 1 816 . 1 1 94 94 LYS N N 15 127.33 0.50 . 1 . . . A 94 LYS N . 18134 1 817 . 1 1 95 95 ALA H H 1 8.29 0.01 . 1 . . . A 95 ALA H . 18134 1 818 . 1 1 95 95 ALA HA H 1 4.27 0.01 . 1 . . . A 95 ALA HA . 18134 1 819 . 1 1 95 95 ALA HB1 H 1 1.36 0.01 . 1 . . . A 95 ALA HB1 . 18134 1 820 . 1 1 95 95 ALA HB2 H 1 1.36 0.01 . 1 . . . A 95 ALA HB2 . 18134 1 821 . 1 1 95 95 ALA HB3 H 1 1.36 0.01 . 1 . . . A 95 ALA HB3 . 18134 1 822 . 1 1 95 95 ALA CA C 13 52.98 0.20 . 1 . . . A 95 ALA CA . 18134 1 823 . 1 1 95 95 ALA CB C 13 19.35 0.20 . 1 . . . A 95 ALA CB . 18134 1 824 . 1 1 95 95 ALA N N 15 127.62 0.50 . 1 . . . A 95 ALA N . 18134 1 825 . 1 1 96 96 LEU H H 1 8.24 0.01 . 1 . . . A 96 LEU H . 18134 1 826 . 1 1 96 96 LEU HA H 1 4.30 0.01 . 1 . . . A 96 LEU HA . 18134 1 827 . 1 1 96 96 LEU HB2 H 1 1.60 0.01 . 1 . . . A 96 LEU HB2 . 18134 1 828 . 1 1 96 96 LEU HB3 H 1 1.60 0.01 . 1 . . . A 96 LEU HB3 . 18134 1 829 . 1 1 96 96 LEU HG H 1 1.65 0.01 . 1 . . . A 96 LEU HG . 18134 1 830 . 1 1 96 96 LEU HD11 H 1 0.89 0.01 . 2 . . . A 96 LEU HD11 . 18134 1 831 . 1 1 96 96 LEU HD12 H 1 0.89 0.01 . 2 . . . A 96 LEU HD12 . 18134 1 832 . 1 1 96 96 LEU HD13 H 1 0.89 0.01 . 2 . . . A 96 LEU HD13 . 18134 1 833 . 1 1 96 96 LEU HD21 H 1 0.84 0.01 . 2 . . . A 96 LEU HD21 . 18134 1 834 . 1 1 96 96 LEU HD22 H 1 0.84 0.01 . 2 . . . A 96 LEU HD22 . 18134 1 835 . 1 1 96 96 LEU HD23 H 1 0.84 0.01 . 2 . . . A 96 LEU HD23 . 18134 1 836 . 1 1 96 96 LEU CA C 13 56.53 0.20 . 1 . . . A 96 LEU CA . 18134 1 837 . 1 1 96 96 LEU CB C 13 42.65 0.20 . 1 . . . A 96 LEU CB . 18134 1 838 . 1 1 96 96 LEU CG C 13 27.32 0.20 . 1 . . . A 96 LEU CG . 18134 1 839 . 1 1 96 96 LEU CD1 C 13 25.03 0.20 . 2 . . . A 96 LEU CD1 . 18134 1 840 . 1 1 96 96 LEU CD2 C 13 23.82 0.20 . 2 . . . A 96 LEU CD2 . 18134 1 841 . 1 1 96 96 LEU N N 15 123.67 0.50 . 1 . . . A 96 LEU N . 18134 1 842 . 1 1 97 97 GLY H H 1 8.40 0.01 . 1 . . . A 97 GLY H . 18134 1 843 . 1 1 97 97 GLY HA2 H 1 3.85 0.01 . 1 . . . A 97 GLY HA2 . 18134 1 844 . 1 1 97 97 GLY HA3 H 1 3.85 0.01 . 1 . . . A 97 GLY HA3 . 18134 1 845 . 1 1 97 97 GLY CA C 13 45.78 0.20 . 1 . . . A 97 GLY CA . 18134 1 846 . 1 1 97 97 GLY N N 15 111.54 0.50 . 1 . . . A 97 GLY N . 18134 1 847 . 1 1 98 98 TYR H H 1 8.06 0.01 . 1 . . . A 98 TYR H . 18134 1 848 . 1 1 98 98 TYR HA H 1 4.59 0.01 . 1 . . . A 98 TYR HA . 18134 1 849 . 1 1 98 98 TYR HB2 H 1 3.04 0.01 . 2 . . . A 98 TYR HB2 . 18134 1 850 . 1 1 98 98 TYR HB3 H 1 2.98 0.01 . 2 . . . A 98 TYR HB3 . 18134 1 851 . 1 1 98 98 TYR HD1 H 1 7.11 0.01 . 3 . . . A 98 TYR HD1 . 18134 1 852 . 1 1 98 98 TYR HD2 H 1 7.11 0.01 . 3 . . . A 98 TYR HD2 . 18134 1 853 . 1 1 98 98 TYR HE1 H 1 6.90 0.01 . 3 . . . A 98 TYR HE1 . 18134 1 854 . 1 1 98 98 TYR HE2 H 1 6.90 0.01 . 3 . . . A 98 TYR HE2 . 18134 1 855 . 1 1 98 98 TYR CA C 13 58.34 0.20 . 1 . . . A 98 TYR CA . 18134 1 856 . 1 1 98 98 TYR CB C 13 39.15 0.20 . 1 . . . A 98 TYR CB . 18134 1 857 . 1 1 98 98 TYR N N 15 122.57 0.50 . 1 . . . A 98 TYR N . 18134 1 858 . 1 1 99 99 ASP H H 1 8.35 0.01 . 1 . . . A 99 ASP H . 18134 1 859 . 1 1 99 99 ASP HA H 1 4.56 0.01 . 1 . . . A 99 ASP HA . 18134 1 860 . 1 1 99 99 ASP HB2 H 1 2.63 0.01 . 1 . . . A 99 ASP HB2 . 18134 1 861 . 1 1 99 99 ASP HB3 H 1 2.63 0.01 . 1 . . . A 99 ASP HB3 . 18134 1 862 . 1 1 99 99 ASP CA C 13 55.40 0.20 . 1 . . . A 99 ASP CA . 18134 1 863 . 1 1 99 99 ASP CB C 13 41.65 0.20 . 1 . . . A 99 ASP CB . 18134 1 864 . 1 1 99 99 ASP N N 15 124.88 0.50 . 1 . . . A 99 ASP N . 18134 1 865 . 1 1 100 100 GLY H H 1 7.54 0.01 . 1 . . . A 100 GLY H . 18134 1 866 . 1 1 100 100 GLY HA2 H 1 3.89 0.01 . 2 . . . A 100 GLY HA2 . 18134 1 867 . 1 1 100 100 GLY HA3 H 1 3.78 0.01 . 2 . . . A 100 GLY HA3 . 18134 1 868 . 1 1 100 100 GLY CA C 13 45.61 0.20 . 1 . . . A 100 GLY CA . 18134 1 869 . 1 1 100 100 GLY N N 15 110.34 0.50 . 1 . . . A 100 GLY N . 18134 1 870 . 1 1 101 101 ASN H H 1 7.95 0.01 . 1 . . . A 101 ASN H . 18134 1 871 . 1 1 101 101 ASN HA H 1 4.54 0.01 . 1 . . . A 101 ASN HA . 18134 1 872 . 1 1 101 101 ASN HB2 H 1 2.76 0.01 . 2 . . . A 101 ASN HB2 . 18134 1 873 . 1 1 101 101 ASN HB3 H 1 2.67 0.01 . 2 . . . A 101 ASN HB3 . 18134 1 874 . 1 1 101 101 ASN HD21 H 1 7.47 0.01 . 2 . . . A 101 ASN HD21 . 18134 1 875 . 1 1 101 101 ASN HD22 H 1 6.85 0.01 . 2 . . . A 101 ASN HD22 . 18134 1 876 . 1 1 101 101 ASN CA C 13 55.08 0.20 . 1 . . . A 101 ASN CA . 18134 1 877 . 1 1 101 101 ASN CB C 13 40.80 0.20 . 1 . . . A 101 ASN CB . 18134 1 878 . 1 1 101 101 ASN N N 15 125.98 0.50 . 1 . . . A 101 ASN N . 18134 1 879 . 1 1 101 101 ASN ND2 N 15 115.28 0.50 . 1 . . . A 101 ASN ND2 . 18134 1 stop_ save_