data_10040 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10040 _Entry.Title ; Solution Structure of the RA Domain of Human Grb7 Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-09 _Entry.Accession_date 2006-11-10 _Entry.Last_release_date 2008-08-13 _Entry.Original_release_date 2008-08-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 H. Li . . . 10040 2 T. Tomizawa . . . 10040 3 S. Koshiba . . . 10040 4 M. Inoue . . . 10040 5 T. Kigawa . . . 10040 6 S. Yokoyama . . . 10040 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10040 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10040 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 392 10040 '15N chemical shifts' 95 10040 '1H chemical shifts' 609 10040 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-08-13 2006-11-09 original author . 10040 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WGR 'BMRB Entry Tracking System' 10040 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10040 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of the RA Domain of Human Grb7 Protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 H. Li . . . 10040 1 2 T. Tomizawa . . . 10040 1 3 S. Koshiba . . . 10040 1 4 M. Inoue . . . 10040 1 5 T. Kigawa . . . 10040 1 6 S. Yokoyama . . . 10040 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10040 _Assembly.ID 1 _Assembly.Name 'Growth factor receptor-bound protein 7' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10040 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Growth factor receptor-bound protein 7' 1 $entity_1 . . yes native no no . . . 10040 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1WGR . . . . . . 10040 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10040 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RA domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGRPHVVKVYSEDGA CRSVEVAAGATARHVCEMLV QRAHALSDETWGLVECHPHL ALERGLEDHESVVEVQAAWP VGGDSRFVFRKNFASGPSSG ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 1WGR . "Solution Structure Of The Ra Domain Of Human Grb7 Protein" . . . . . 100.00 100 100.00 100.00 2.45e-64 . . . . 10040 1 2 no DBJ BAA07827 . "GRB-7 SH2 domain protein [Homo sapiens]" . . . . . 89.00 532 97.75 98.88 4.82e-52 . . . . 10040 1 3 no DBJ BAA13412 . "Grb7 protein [Homo sapiens]" . . . . . 58.00 214 98.28 98.28 9.64e-32 . . . . 10040 1 4 no DBJ BAA29059 . "grb7 protein [Homo sapiens]" . . . . . 89.00 532 97.75 98.88 4.82e-52 . . . . 10040 1 5 no DBJ BAA29060 . "Grb7V protein [Homo sapiens]" . . . . . 89.00 447 97.75 98.88 7.27e-53 . . . . 10040 1 6 no DBJ BAD96569 . "growth factor receptor-bound protein 7 variant [Homo sapiens]" . . . . . 89.00 532 97.75 98.88 4.43e-52 . . . . 10040 1 7 no GB AAG25938 . "growth factor receptor-bound protein 7 [Homo sapiens]" . . . . . 89.00 532 97.75 98.88 4.82e-52 . . . . 10040 1 8 no GB AAH06535 . "Growth factor receptor-bound protein 7 [Homo sapiens]" . . . . . 89.00 532 97.75 98.88 4.43e-52 . . . . 10040 1 9 no GB AAP35332 . "growth factor receptor-bound protein 7 [Homo sapiens]" . . . . . 89.00 532 97.75 98.88 4.43e-52 . . . . 10040 1 10 no GB AAP36681 . "Homo sapiens growth factor receptor-bound protein 7 [synthetic construct]" . . . . . 89.00 533 97.75 98.88 4.50e-52 . . . . 10040 1 11 no GB AAX29563 . "growth factor receptor-bound protein 7, partial [synthetic construct]" . . . . . 89.00 533 97.75 98.88 4.50e-52 . . . . 10040 1 12 no REF NP_001025173 . "growth factor receptor-bound protein 7 isoform a [Homo sapiens]" . . . . . 89.00 532 97.75 98.88 4.43e-52 . . . . 10040 1 13 no REF NP_001229371 . "growth factor receptor-bound protein 7 isoform b [Homo sapiens]" . . . . . 89.00 555 97.75 98.88 6.69e-52 . . . . 10040 1 14 no REF NP_001229372 . "growth factor receptor-bound protein 7 isoform a [Homo sapiens]" . . . . . 89.00 532 97.75 98.88 4.43e-52 . . . . 10040 1 15 no REF NP_005301 . "growth factor receptor-bound protein 7 isoform a [Homo sapiens]" . . . . . 89.00 532 97.75 98.88 4.43e-52 . . . . 10040 1 16 no REF XP_001171807 . "PREDICTED: growth factor receptor-bound protein 7 isoform X3 [Pan troglodytes]" . . . . . 89.00 555 97.75 98.88 5.39e-52 . . . . 10040 1 17 no SP Q14451 . "RecName: Full=Growth factor receptor-bound protein 7; AltName: Full=B47; AltName: Full=Epidermal growth factor receptor GRB-7; " . . . . . 89.00 532 97.75 98.88 4.43e-52 . . . . 10040 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RA domain' . 10040 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 10040 1 2 . SER . 10040 1 3 . SER . 10040 1 4 . GLY . 10040 1 5 . SER . 10040 1 6 . SER . 10040 1 7 . GLY . 10040 1 8 . ARG . 10040 1 9 . PRO . 10040 1 10 . HIS . 10040 1 11 . VAL . 10040 1 12 . VAL . 10040 1 13 . LYS . 10040 1 14 . VAL . 10040 1 15 . TYR . 10040 1 16 . SER . 10040 1 17 . GLU . 10040 1 18 . ASP . 10040 1 19 . GLY . 10040 1 20 . ALA . 10040 1 21 . CYS . 10040 1 22 . ARG . 10040 1 23 . SER . 10040 1 24 . VAL . 10040 1 25 . GLU . 10040 1 26 . VAL . 10040 1 27 . ALA . 10040 1 28 . ALA . 10040 1 29 . GLY . 10040 1 30 . ALA . 10040 1 31 . THR . 10040 1 32 . ALA . 10040 1 33 . ARG . 10040 1 34 . HIS . 10040 1 35 . VAL . 10040 1 36 . CYS . 10040 1 37 . GLU . 10040 1 38 . MET . 10040 1 39 . LEU . 10040 1 40 . VAL . 10040 1 41 . GLN . 10040 1 42 . ARG . 10040 1 43 . ALA . 10040 1 44 . HIS . 10040 1 45 . ALA . 10040 1 46 . LEU . 10040 1 47 . SER . 10040 1 48 . ASP . 10040 1 49 . GLU . 10040 1 50 . THR . 10040 1 51 . TRP . 10040 1 52 . GLY . 10040 1 53 . LEU . 10040 1 54 . VAL . 10040 1 55 . GLU . 10040 1 56 . CYS . 10040 1 57 . HIS . 10040 1 58 . PRO . 10040 1 59 . HIS . 10040 1 60 . LEU . 10040 1 61 . ALA . 10040 1 62 . LEU . 10040 1 63 . GLU . 10040 1 64 . ARG . 10040 1 65 . GLY . 10040 1 66 . LEU . 10040 1 67 . GLU . 10040 1 68 . ASP . 10040 1 69 . HIS . 10040 1 70 . GLU . 10040 1 71 . SER . 10040 1 72 . VAL . 10040 1 73 . VAL . 10040 1 74 . GLU . 10040 1 75 . VAL . 10040 1 76 . GLN . 10040 1 77 . ALA . 10040 1 78 . ALA . 10040 1 79 . TRP . 10040 1 80 . PRO . 10040 1 81 . VAL . 10040 1 82 . GLY . 10040 1 83 . GLY . 10040 1 84 . ASP . 10040 1 85 . SER . 10040 1 86 . ARG . 10040 1 87 . PHE . 10040 1 88 . VAL . 10040 1 89 . PHE . 10040 1 90 . ARG . 10040 1 91 . LYS . 10040 1 92 . ASN . 10040 1 93 . PHE . 10040 1 94 . ALA . 10040 1 95 . SER . 10040 1 96 . GLY . 10040 1 97 . PRO . 10040 1 98 . SER . 10040 1 99 . SER . 10040 1 100 . GLY . 10040 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 10040 1 . SER 2 2 10040 1 . SER 3 3 10040 1 . GLY 4 4 10040 1 . SER 5 5 10040 1 . SER 6 6 10040 1 . GLY 7 7 10040 1 . ARG 8 8 10040 1 . PRO 9 9 10040 1 . HIS 10 10 10040 1 . VAL 11 11 10040 1 . VAL 12 12 10040 1 . LYS 13 13 10040 1 . VAL 14 14 10040 1 . TYR 15 15 10040 1 . SER 16 16 10040 1 . GLU 17 17 10040 1 . ASP 18 18 10040 1 . GLY 19 19 10040 1 . ALA 20 20 10040 1 . CYS 21 21 10040 1 . ARG 22 22 10040 1 . SER 23 23 10040 1 . VAL 24 24 10040 1 . GLU 25 25 10040 1 . VAL 26 26 10040 1 . ALA 27 27 10040 1 . ALA 28 28 10040 1 . GLY 29 29 10040 1 . ALA 30 30 10040 1 . THR 31 31 10040 1 . ALA 32 32 10040 1 . ARG 33 33 10040 1 . HIS 34 34 10040 1 . VAL 35 35 10040 1 . CYS 36 36 10040 1 . GLU 37 37 10040 1 . MET 38 38 10040 1 . LEU 39 39 10040 1 . VAL 40 40 10040 1 . GLN 41 41 10040 1 . ARG 42 42 10040 1 . ALA 43 43 10040 1 . HIS 44 44 10040 1 . ALA 45 45 10040 1 . LEU 46 46 10040 1 . SER 47 47 10040 1 . ASP 48 48 10040 1 . GLU 49 49 10040 1 . THR 50 50 10040 1 . TRP 51 51 10040 1 . GLY 52 52 10040 1 . LEU 53 53 10040 1 . VAL 54 54 10040 1 . GLU 55 55 10040 1 . CYS 56 56 10040 1 . HIS 57 57 10040 1 . PRO 58 58 10040 1 . HIS 59 59 10040 1 . LEU 60 60 10040 1 . ALA 61 61 10040 1 . LEU 62 62 10040 1 . GLU 63 63 10040 1 . ARG 64 64 10040 1 . GLY 65 65 10040 1 . LEU 66 66 10040 1 . GLU 67 67 10040 1 . ASP 68 68 10040 1 . HIS 69 69 10040 1 . GLU 70 70 10040 1 . SER 71 71 10040 1 . VAL 72 72 10040 1 . VAL 73 73 10040 1 . GLU 74 74 10040 1 . VAL 75 75 10040 1 . GLN 76 76 10040 1 . ALA 77 77 10040 1 . ALA 78 78 10040 1 . TRP 79 79 10040 1 . PRO 80 80 10040 1 . VAL 81 81 10040 1 . GLY 82 82 10040 1 . GLY 83 83 10040 1 . ASP 84 84 10040 1 . SER 85 85 10040 1 . ARG 86 86 10040 1 . PHE 87 87 10040 1 . VAL 88 88 10040 1 . PHE 89 89 10040 1 . ARG 90 90 10040 1 . LYS 91 91 10040 1 . ASN 92 92 10040 1 . PHE 93 93 10040 1 . ALA 94 94 10040 1 . SER 95 95 10040 1 . GLY 96 96 10040 1 . PRO 97 97 10040 1 . SER 98 98 10040 1 . SER 99 99 10040 1 . GLY 100 100 10040 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 10040 _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_1 . 9606 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10040 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 10040 _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_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P040223-63 . . . . . . 10040 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10040 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RA domain' '[U-13C, U-15N]' . . 1 $entity_1 . . 1.17 . . mM . . . . 10040 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10040 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10040 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10040 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10040 1 6 H2O . . . . . . solvent 90 . . % . . . . 10040 1 7 D2O . . . . . . solvent 10 . . % . . . . 10040 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10040 _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' 120 0.1 mM 10040 1 pH 7.0 0.05 pH 10040 1 pressure 1 0.001 atm 10040 1 temperature 298 0.1 K 10040 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10040 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10040 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10040 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10040 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10040 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10040 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10040 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B. A.' . . 10040 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10040 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10040 _Software.ID 4 _Software.Name Kujira _Software.Version 0.897 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10040 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10040 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10040 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10040 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10040 5 'structure solution' 10040 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10040 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10040 _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 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10040 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10040 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10040 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10040 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10040 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . . . . . 10040 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10040 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10040 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10040 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10040 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10040 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 7 7 GLY HA2 H 1 3.983 0.030 . 1 . . . . 7 GLY HA2 . 10040 1 2 . 1 1 7 7 GLY HA3 H 1 3.983 0.030 . 1 . . . . 7 GLY HA3 . 10040 1 3 . 1 1 7 7 GLY CA C 13 45.205 0.300 . 1 . . . . 7 GLY CA . 10040 1 4 . 1 1 8 8 ARG H H 1 8.071 0.030 . 1 . . . . 8 ARG H . 10040 1 5 . 1 1 8 8 ARG HA H 1 4.601 0.030 . 1 . . . . 8 ARG HA . 10040 1 6 . 1 1 8 8 ARG HB2 H 1 1.692 0.030 . 2 . . . . 8 ARG HB2 . 10040 1 7 . 1 1 8 8 ARG HB3 H 1 1.759 0.030 . 2 . . . . 8 ARG HB3 . 10040 1 8 . 1 1 8 8 ARG HG2 H 1 1.612 0.030 . 1 . . . . 8 ARG HG2 . 10040 1 9 . 1 1 8 8 ARG HG3 H 1 1.612 0.030 . 1 . . . . 8 ARG HG3 . 10040 1 10 . 1 1 8 8 ARG HD2 H 1 3.171 0.030 . 1 . . . . 8 ARG HD2 . 10040 1 11 . 1 1 8 8 ARG HD3 H 1 3.171 0.030 . 1 . . . . 8 ARG HD3 . 10040 1 12 . 1 1 8 8 ARG CA C 13 53.874 0.300 . 1 . . . . 8 ARG CA . 10040 1 13 . 1 1 8 8 ARG CB C 13 30.228 0.300 . 1 . . . . 8 ARG CB . 10040 1 14 . 1 1 8 8 ARG CG C 13 26.667 0.300 . 1 . . . . 8 ARG CG . 10040 1 15 . 1 1 8 8 ARG CD C 13 43.142 0.300 . 1 . . . . 8 ARG CD . 10040 1 16 . 1 1 8 8 ARG N N 15 121.463 0.300 . 1 . . . . 8 ARG N . 10040 1 17 . 1 1 9 9 PRO HA H 1 4.512 0.030 . 1 . . . . 9 PRO HA . 10040 1 18 . 1 1 9 9 PRO HB2 H 1 1.674 0.030 . 2 . . . . 9 PRO HB2 . 10040 1 19 . 1 1 9 9 PRO HB3 H 1 2.137 0.030 . 2 . . . . 9 PRO HB3 . 10040 1 20 . 1 1 9 9 PRO HG2 H 1 1.848 0.030 . 2 . . . . 9 PRO HG2 . 10040 1 21 . 1 1 9 9 PRO HG3 H 1 1.928 0.030 . 2 . . . . 9 PRO HG3 . 10040 1 22 . 1 1 9 9 PRO HD2 H 1 3.590 0.030 . 2 . . . . 9 PRO HD2 . 10040 1 23 . 1 1 9 9 PRO HD3 H 1 3.753 0.030 . 2 . . . . 9 PRO HD3 . 10040 1 24 . 1 1 9 9 PRO C C 13 176.368 0.300 . 1 . . . . 9 PRO C . 10040 1 25 . 1 1 9 9 PRO CA C 13 62.992 0.300 . 1 . . . . 9 PRO CA . 10040 1 26 . 1 1 9 9 PRO CB C 13 32.460 0.300 . 1 . . . . 9 PRO CB . 10040 1 27 . 1 1 9 9 PRO CG C 13 27.034 0.300 . 1 . . . . 9 PRO CG . 10040 1 28 . 1 1 9 9 PRO CD C 13 50.467 0.300 . 1 . . . . 9 PRO CD . 10040 1 29 . 1 1 10 10 HIS H H 1 8.778 0.030 . 1 . . . . 10 HIS H . 10040 1 30 . 1 1 10 10 HIS HA H 1 4.573 0.030 . 1 . . . . 10 HIS HA . 10040 1 31 . 1 1 10 10 HIS HB2 H 1 2.912 0.030 . 2 . . . . 10 HIS HB2 . 10040 1 32 . 1 1 10 10 HIS HB3 H 1 2.793 0.030 . 2 . . . . 10 HIS HB3 . 10040 1 33 . 1 1 10 10 HIS HD2 H 1 6.861 0.030 . 1 . . . . 10 HIS HD2 . 10040 1 34 . 1 1 10 10 HIS HE1 H 1 7.753 0.030 . 1 . . . . 10 HIS HE1 . 10040 1 35 . 1 1 10 10 HIS C C 13 174.211 0.300 . 1 . . . . 10 HIS C . 10040 1 36 . 1 1 10 10 HIS CA C 13 55.832 0.300 . 1 . . . . 10 HIS CA . 10040 1 37 . 1 1 10 10 HIS CB C 13 32.214 0.300 . 1 . . . . 10 HIS CB . 10040 1 38 . 1 1 10 10 HIS CD2 C 13 120.886 0.300 . 1 . . . . 10 HIS CD2 . 10040 1 39 . 1 1 10 10 HIS CE1 C 13 138.479 0.300 . 1 . . . . 10 HIS CE1 . 10040 1 40 . 1 1 10 10 HIS N N 15 120.978 0.300 . 1 . . . . 10 HIS N . 10040 1 41 . 1 1 11 11 VAL H H 1 8.395 0.030 . 1 . . . . 11 VAL H . 10040 1 42 . 1 1 11 11 VAL HA H 1 4.629 0.030 . 1 . . . . 11 VAL HA . 10040 1 43 . 1 1 11 11 VAL HB H 1 1.912 0.030 . 1 . . . . 11 VAL HB . 10040 1 44 . 1 1 11 11 VAL HG11 H 1 0.804 0.030 . 1 . . . . 11 VAL HG1 . 10040 1 45 . 1 1 11 11 VAL HG12 H 1 0.804 0.030 . 1 . . . . 11 VAL HG1 . 10040 1 46 . 1 1 11 11 VAL HG13 H 1 0.804 0.030 . 1 . . . . 11 VAL HG1 . 10040 1 47 . 1 1 11 11 VAL HG21 H 1 0.903 0.030 . 1 . . . . 11 VAL HG2 . 10040 1 48 . 1 1 11 11 VAL HG22 H 1 0.903 0.030 . 1 . . . . 11 VAL HG2 . 10040 1 49 . 1 1 11 11 VAL HG23 H 1 0.903 0.030 . 1 . . . . 11 VAL HG2 . 10040 1 50 . 1 1 11 11 VAL C C 13 176.089 0.300 . 1 . . . . 11 VAL C . 10040 1 51 . 1 1 11 11 VAL CA C 13 62.042 0.300 . 1 . . . . 11 VAL CA . 10040 1 52 . 1 1 11 11 VAL CB C 13 32.907 0.300 . 1 . . . . 11 VAL CB . 10040 1 53 . 1 1 11 11 VAL CG1 C 13 21.467 0.300 . 2 . . . . 11 VAL CG1 . 10040 1 54 . 1 1 11 11 VAL CG2 C 13 21.718 0.300 . 2 . . . . 11 VAL CG2 . 10040 1 55 . 1 1 11 11 VAL N N 15 122.499 0.300 . 1 . . . . 11 VAL N . 10040 1 56 . 1 1 12 12 VAL H H 1 9.129 0.030 . 1 . . . . 12 VAL H . 10040 1 57 . 1 1 12 12 VAL HA H 1 4.502 0.030 . 1 . . . . 12 VAL HA . 10040 1 58 . 1 1 12 12 VAL HB H 1 1.926 0.030 . 1 . . . . 12 VAL HB . 10040 1 59 . 1 1 12 12 VAL HG11 H 1 0.835 0.030 . 1 . . . . 12 VAL HG1 . 10040 1 60 . 1 1 12 12 VAL HG12 H 1 0.835 0.030 . 1 . . . . 12 VAL HG1 . 10040 1 61 . 1 1 12 12 VAL HG13 H 1 0.835 0.030 . 1 . . . . 12 VAL HG1 . 10040 1 62 . 1 1 12 12 VAL HG21 H 1 0.746 0.030 . 1 . . . . 12 VAL HG2 . 10040 1 63 . 1 1 12 12 VAL HG22 H 1 0.746 0.030 . 1 . . . . 12 VAL HG2 . 10040 1 64 . 1 1 12 12 VAL HG23 H 1 0.746 0.030 . 1 . . . . 12 VAL HG2 . 10040 1 65 . 1 1 12 12 VAL C C 13 174.332 0.300 . 1 . . . . 12 VAL C . 10040 1 66 . 1 1 12 12 VAL CA C 13 60.581 0.300 . 1 . . . . 12 VAL CA . 10040 1 67 . 1 1 12 12 VAL CB C 13 34.507 0.300 . 1 . . . . 12 VAL CB . 10040 1 68 . 1 1 12 12 VAL CG1 C 13 21.467 0.300 . 2 . . . . 12 VAL CG1 . 10040 1 69 . 1 1 12 12 VAL CG2 C 13 20.965 0.300 . 2 . . . . 12 VAL CG2 . 10040 1 70 . 1 1 12 12 VAL N N 15 128.364 0.300 . 1 . . . . 12 VAL N . 10040 1 71 . 1 1 13 13 LYS H H 1 8.884 0.030 . 1 . . . . 13 LYS H . 10040 1 72 . 1 1 13 13 LYS HA H 1 4.850 0.030 . 1 . . . . 13 LYS HA . 10040 1 73 . 1 1 13 13 LYS HB2 H 1 1.863 0.030 . 2 . . . . 13 LYS HB2 . 10040 1 74 . 1 1 13 13 LYS HB3 H 1 1.530 0.030 . 2 . . . . 13 LYS HB3 . 10040 1 75 . 1 1 13 13 LYS HG2 H 1 1.232 0.030 . 2 . . . . 13 LYS HG2 . 10040 1 76 . 1 1 13 13 LYS HG3 H 1 1.463 0.030 . 2 . . . . 13 LYS HG3 . 10040 1 77 . 1 1 13 13 LYS HD2 H 1 1.712 0.030 . 1 . . . . 13 LYS HD2 . 10040 1 78 . 1 1 13 13 LYS HD3 H 1 1.712 0.030 . 1 . . . . 13 LYS HD3 . 10040 1 79 . 1 1 13 13 LYS HE2 H 1 2.994 0.030 . 1 . . . . 13 LYS HE2 . 10040 1 80 . 1 1 13 13 LYS HE3 H 1 2.994 0.030 . 1 . . . . 13 LYS HE3 . 10040 1 81 . 1 1 13 13 LYS C C 13 175.980 0.300 . 1 . . . . 13 LYS C . 10040 1 82 . 1 1 13 13 LYS CA C 13 55.533 0.300 . 1 . . . . 13 LYS CA . 10040 1 83 . 1 1 13 13 LYS CB C 13 34.006 0.300 . 1 . . . . 13 LYS CB . 10040 1 84 . 1 1 13 13 LYS CG C 13 25.389 0.300 . 1 . . . . 13 LYS CG . 10040 1 85 . 1 1 13 13 LYS CD C 13 29.742 0.300 . 1 . . . . 13 LYS CD . 10040 1 86 . 1 1 13 13 LYS CE C 13 42.327 0.300 . 1 . . . . 13 LYS CE . 10040 1 87 . 1 1 13 13 LYS N N 15 126.525 0.300 . 1 . . . . 13 LYS N . 10040 1 88 . 1 1 14 14 VAL H H 1 9.011 0.030 . 1 . . . . 14 VAL H . 10040 1 89 . 1 1 14 14 VAL HA H 1 4.589 0.030 . 1 . . . . 14 VAL HA . 10040 1 90 . 1 1 14 14 VAL HB H 1 1.769 0.030 . 1 . . . . 14 VAL HB . 10040 1 91 . 1 1 14 14 VAL HG11 H 1 0.787 0.030 . 1 . . . . 14 VAL HG1 . 10040 1 92 . 1 1 14 14 VAL HG12 H 1 0.787 0.030 . 1 . . . . 14 VAL HG1 . 10040 1 93 . 1 1 14 14 VAL HG13 H 1 0.787 0.030 . 1 . . . . 14 VAL HG1 . 10040 1 94 . 1 1 14 14 VAL HG21 H 1 0.694 0.030 . 1 . . . . 14 VAL HG2 . 10040 1 95 . 1 1 14 14 VAL HG22 H 1 0.694 0.030 . 1 . . . . 14 VAL HG2 . 10040 1 96 . 1 1 14 14 VAL HG23 H 1 0.694 0.030 . 1 . . . . 14 VAL HG2 . 10040 1 97 . 1 1 14 14 VAL C C 13 175.350 0.300 . 1 . . . . 14 VAL C . 10040 1 98 . 1 1 14 14 VAL CA C 13 61.620 0.300 . 1 . . . . 14 VAL CA . 10040 1 99 . 1 1 14 14 VAL CB C 13 34.257 0.300 . 1 . . . . 14 VAL CB . 10040 1 100 . 1 1 14 14 VAL CG1 C 13 23.223 0.300 . 2 . . . . 14 VAL CG1 . 10040 1 101 . 1 1 14 14 VAL CG2 C 13 20.714 0.300 . 2 . . . . 14 VAL CG2 . 10040 1 102 . 1 1 14 14 VAL N N 15 123.309 0.300 . 1 . . . . 14 VAL N . 10040 1 103 . 1 1 15 15 TYR H H 1 9.299 0.030 . 1 . . . . 15 TYR H . 10040 1 104 . 1 1 15 15 TYR HA H 1 5.450 0.030 . 1 . . . . 15 TYR HA . 10040 1 105 . 1 1 15 15 TYR HB2 H 1 3.211 0.030 . 2 . . . . 15 TYR HB2 . 10040 1 106 . 1 1 15 15 TYR HB3 H 1 3.115 0.030 . 2 . . . . 15 TYR HB3 . 10040 1 107 . 1 1 15 15 TYR HD1 H 1 7.352 0.030 . 1 . . . . 15 TYR HD1 . 10040 1 108 . 1 1 15 15 TYR HD2 H 1 7.352 0.030 . 1 . . . . 15 TYR HD2 . 10040 1 109 . 1 1 15 15 TYR HE1 H 1 6.853 0.030 . 1 . . . . 15 TYR HE1 . 10040 1 110 . 1 1 15 15 TYR HE2 H 1 6.853 0.030 . 1 . . . . 15 TYR HE2 . 10040 1 111 . 1 1 15 15 TYR C C 13 175.919 0.300 . 1 . . . . 15 TYR C . 10040 1 112 . 1 1 15 15 TYR CA C 13 57.855 0.300 . 1 . . . . 15 TYR CA . 10040 1 113 . 1 1 15 15 TYR CB C 13 40.166 0.300 . 1 . . . . 15 TYR CB . 10040 1 114 . 1 1 15 15 TYR CD1 C 13 134.002 0.300 . 1 . . . . 15 TYR CD1 . 10040 1 115 . 1 1 15 15 TYR CD2 C 13 134.002 0.300 . 1 . . . . 15 TYR CD2 . 10040 1 116 . 1 1 15 15 TYR CE1 C 13 118.115 0.300 . 1 . . . . 15 TYR CE1 . 10040 1 117 . 1 1 15 15 TYR CE2 C 13 118.115 0.300 . 1 . . . . 15 TYR CE2 . 10040 1 118 . 1 1 15 15 TYR N N 15 129.129 0.300 . 1 . . . . 15 TYR N . 10040 1 119 . 1 1 16 16 SER H H 1 8.947 0.030 . 1 . . . . 16 SER H . 10040 1 120 . 1 1 16 16 SER HA H 1 5.287 0.030 . 1 . . . . 16 SER HA . 10040 1 121 . 1 1 16 16 SER HB2 H 1 4.477 0.030 . 2 . . . . 16 SER HB2 . 10040 1 122 . 1 1 16 16 SER HB3 H 1 4.186 0.030 . 2 . . . . 16 SER HB3 . 10040 1 123 . 1 1 16 16 SER C C 13 177.761 0.300 . 1 . . . . 16 SER C . 10040 1 124 . 1 1 16 16 SER CA C 13 56.729 0.300 . 1 . . . . 16 SER CA . 10040 1 125 . 1 1 16 16 SER CB C 13 65.367 0.300 . 1 . . . . 16 SER CB . 10040 1 126 . 1 1 16 16 SER N N 15 114.442 0.300 . 1 . . . . 16 SER N . 10040 1 127 . 1 1 17 17 GLU H H 1 9.563 0.030 . 1 . . . . 17 GLU H . 10040 1 128 . 1 1 17 17 GLU HA H 1 4.116 0.030 . 1 . . . . 17 GLU HA . 10040 1 129 . 1 1 17 17 GLU HB2 H 1 2.203 0.030 . 1 . . . . 17 GLU HB2 . 10040 1 130 . 1 1 17 17 GLU HB3 H 1 2.203 0.030 . 1 . . . . 17 GLU HB3 . 10040 1 131 . 1 1 17 17 GLU HG2 H 1 2.512 0.030 . 2 . . . . 17 GLU HG2 . 10040 1 132 . 1 1 17 17 GLU HG3 H 1 2.311 0.030 . 2 . . . . 17 GLU HG3 . 10040 1 133 . 1 1 17 17 GLU C C 13 176.477 0.300 . 1 . . . . 17 GLU C . 10040 1 134 . 1 1 17 17 GLU CA C 13 59.860 0.300 . 1 . . . . 17 GLU CA . 10040 1 135 . 1 1 17 17 GLU CB C 13 29.889 0.300 . 1 . . . . 17 GLU CB . 10040 1 136 . 1 1 17 17 GLU CG C 13 37.558 0.300 . 1 . . . . 17 GLU CG . 10040 1 137 . 1 1 17 17 GLU N N 15 123.173 0.300 . 1 . . . . 17 GLU N . 10040 1 138 . 1 1 18 18 ASP H H 1 8.182 0.030 . 1 . . . . 18 ASP H . 10040 1 139 . 1 1 18 18 ASP HA H 1 4.610 0.030 . 1 . . . . 18 ASP HA . 10040 1 140 . 1 1 18 18 ASP HB2 H 1 3.022 0.030 . 2 . . . . 18 ASP HB2 . 10040 1 141 . 1 1 18 18 ASP HB3 H 1 2.749 0.030 . 2 . . . . 18 ASP HB3 . 10040 1 142 . 1 1 18 18 ASP C C 13 176.973 0.300 . 1 . . . . 18 ASP C . 10040 1 143 . 1 1 18 18 ASP CA C 13 53.703 0.300 . 1 . . . . 18 ASP CA . 10040 1 144 . 1 1 18 18 ASP CB C 13 40.207 0.300 . 1 . . . . 18 ASP CB . 10040 1 145 . 1 1 18 18 ASP N N 15 115.649 0.300 . 1 . . . . 18 ASP N . 10040 1 146 . 1 1 19 19 GLY H H 1 8.101 0.030 . 1 . . . . 19 GLY H . 10040 1 147 . 1 1 19 19 GLY HA2 H 1 4.483 0.030 . 2 . . . . 19 GLY HA2 . 10040 1 148 . 1 1 19 19 GLY HA3 H 1 3.800 0.030 . 2 . . . . 19 GLY HA3 . 10040 1 149 . 1 1 19 19 GLY C C 13 174.332 0.300 . 1 . . . . 19 GLY C . 10040 1 150 . 1 1 19 19 GLY CA C 13 45.366 0.300 . 1 . . . . 19 GLY CA . 10040 1 151 . 1 1 19 19 GLY N N 15 108.184 0.300 . 1 . . . . 19 GLY N . 10040 1 152 . 1 1 20 20 ALA H H 1 7.849 0.030 . 1 . . . . 20 ALA H . 10040 1 153 . 1 1 20 20 ALA HA H 1 4.437 0.030 . 1 . . . . 20 ALA HA . 10040 1 154 . 1 1 20 20 ALA HB1 H 1 1.470 0.030 . 1 . . . . 20 ALA HB . 10040 1 155 . 1 1 20 20 ALA HB2 H 1 1.470 0.030 . 1 . . . . 20 ALA HB . 10040 1 156 . 1 1 20 20 ALA HB3 H 1 1.470 0.030 . 1 . . . . 20 ALA HB . 10040 1 157 . 1 1 20 20 ALA C C 13 175.919 0.300 . 1 . . . . 20 ALA C . 10040 1 158 . 1 1 20 20 ALA CA C 13 52.454 0.300 . 1 . . . . 20 ALA CA . 10040 1 159 . 1 1 20 20 ALA CB C 13 19.487 0.300 . 1 . . . . 20 ALA CB . 10040 1 160 . 1 1 20 20 ALA N N 15 124.228 0.300 . 1 . . . . 20 ALA N . 10040 1 161 . 1 1 21 21 CYS H H 1 8.510 0.030 . 1 . . . . 21 CYS H . 10040 1 162 . 1 1 21 21 CYS HA H 1 4.643 0.030 . 1 . . . . 21 CYS HA . 10040 1 163 . 1 1 21 21 CYS HB2 H 1 2.398 0.030 . 2 . . . . 21 CYS HB2 . 10040 1 164 . 1 1 21 21 CYS HB3 H 1 2.248 0.030 . 2 . . . . 21 CYS HB3 . 10040 1 165 . 1 1 21 21 CYS C C 13 173.933 0.300 . 1 . . . . 21 CYS C . 10040 1 166 . 1 1 21 21 CYS CA C 13 57.697 0.300 . 1 . . . . 21 CYS CA . 10040 1 167 . 1 1 21 21 CYS CB C 13 29.889 0.300 . 1 . . . . 21 CYS CB . 10040 1 168 . 1 1 21 21 CYS N N 15 118.591 0.300 . 1 . . . . 21 CYS N . 10040 1 169 . 1 1 22 22 ARG H H 1 8.616 0.030 . 1 . . . . 22 ARG H . 10040 1 170 . 1 1 22 22 ARG HA H 1 4.606 0.030 . 1 . . . . 22 ARG HA . 10040 1 171 . 1 1 22 22 ARG HB2 H 1 1.612 0.030 . 2 . . . . 22 ARG HB2 . 10040 1 172 . 1 1 22 22 ARG HB3 H 1 1.679 0.030 . 2 . . . . 22 ARG HB3 . 10040 1 173 . 1 1 22 22 ARG HG2 H 1 1.550 0.030 . 1 . . . . 22 ARG HG2 . 10040 1 174 . 1 1 22 22 ARG HG3 H 1 1.550 0.030 . 1 . . . . 22 ARG HG3 . 10040 1 175 . 1 1 22 22 ARG HD2 H 1 3.038 0.030 . 1 . . . . 22 ARG HD2 . 10040 1 176 . 1 1 22 22 ARG HD3 H 1 3.038 0.030 . 1 . . . . 22 ARG HD3 . 10040 1 177 . 1 1 22 22 ARG C C 13 174.187 0.300 . 1 . . . . 22 ARG C . 10040 1 178 . 1 1 22 22 ARG CA C 13 54.548 0.300 . 1 . . . . 22 ARG CA . 10040 1 179 . 1 1 22 22 ARG CB C 13 32.889 0.300 . 1 . . . . 22 ARG CB . 10040 1 180 . 1 1 22 22 ARG CG C 13 26.705 0.300 . 1 . . . . 22 ARG CG . 10040 1 181 . 1 1 22 22 ARG CD C 13 43.396 0.300 . 1 . . . . 22 ARG CD . 10040 1 182 . 1 1 22 22 ARG N N 15 127.751 0.300 . 1 . . . . 22 ARG N . 10040 1 183 . 1 1 23 23 SER H H 1 8.557 0.030 . 1 . . . . 23 SER H . 10040 1 184 . 1 1 23 23 SER HA H 1 5.242 0.030 . 1 . . . . 23 SER HA . 10040 1 185 . 1 1 23 23 SER HB2 H 1 3.652 0.030 . 2 . . . . 23 SER HB2 . 10040 1 186 . 1 1 23 23 SER HB3 H 1 3.589 0.030 . 2 . . . . 23 SER HB3 . 10040 1 187 . 1 1 23 23 SER C C 13 174.115 0.300 . 1 . . . . 23 SER C . 10040 1 188 . 1 1 23 23 SER CA C 13 57.573 0.300 . 1 . . . . 23 SER CA . 10040 1 189 . 1 1 23 23 SER CB C 13 64.234 0.300 . 1 . . . . 23 SER CB . 10040 1 190 . 1 1 23 23 SER N N 15 118.385 0.300 . 1 . . . . 23 SER N . 10040 1 191 . 1 1 24 24 VAL H H 1 9.061 0.030 . 1 . . . . 24 VAL H . 10040 1 192 . 1 1 24 24 VAL HA H 1 4.445 0.030 . 1 . . . . 24 VAL HA . 10040 1 193 . 1 1 24 24 VAL HB H 1 1.955 0.030 . 1 . . . . 24 VAL HB . 10040 1 194 . 1 1 24 24 VAL HG11 H 1 0.753 0.030 . 1 . . . . 24 VAL HG1 . 10040 1 195 . 1 1 24 24 VAL HG12 H 1 0.753 0.030 . 1 . . . . 24 VAL HG1 . 10040 1 196 . 1 1 24 24 VAL HG13 H 1 0.753 0.030 . 1 . . . . 24 VAL HG1 . 10040 1 197 . 1 1 24 24 VAL HG21 H 1 0.712 0.030 . 1 . . . . 24 VAL HG2 . 10040 1 198 . 1 1 24 24 VAL HG22 H 1 0.712 0.030 . 1 . . . . 24 VAL HG2 . 10040 1 199 . 1 1 24 24 VAL HG23 H 1 0.712 0.030 . 1 . . . . 24 VAL HG2 . 10040 1 200 . 1 1 24 24 VAL C C 13 173.775 0.300 . 1 . . . . 24 VAL C . 10040 1 201 . 1 1 24 24 VAL CA C 13 59.931 0.300 . 1 . . . . 24 VAL CA . 10040 1 202 . 1 1 24 24 VAL CB C 13 34.657 0.300 . 1 . . . . 24 VAL CB . 10040 1 203 . 1 1 24 24 VAL CG1 C 13 21.718 0.300 . 2 . . . . 24 VAL CG1 . 10040 1 204 . 1 1 24 24 VAL CG2 C 13 19.880 0.300 . 2 . . . . 24 VAL CG2 . 10040 1 205 . 1 1 24 24 VAL N N 15 122.225 0.300 . 1 . . . . 24 VAL N . 10040 1 206 . 1 1 25 25 GLU H H 1 8.369 0.030 . 1 . . . . 25 GLU H . 10040 1 207 . 1 1 25 25 GLU HA H 1 5.022 0.030 . 1 . . . . 25 GLU HA . 10040 1 208 . 1 1 25 25 GLU HB2 H 1 1.844 0.030 . 2 . . . . 25 GLU HB2 . 10040 1 209 . 1 1 25 25 GLU HB3 H 1 1.880 0.030 . 2 . . . . 25 GLU HB3 . 10040 1 210 . 1 1 25 25 GLU HG2 H 1 2.195 0.030 . 2 . . . . 25 GLU HG2 . 10040 1 211 . 1 1 25 25 GLU HG3 H 1 2.013 0.030 . 2 . . . . 25 GLU HG3 . 10040 1 212 . 1 1 25 25 GLU C C 13 176.392 0.300 . 1 . . . . 25 GLU C . 10040 1 213 . 1 1 25 25 GLU CA C 13 55.545 0.300 . 1 . . . . 25 GLU CA . 10040 1 214 . 1 1 25 25 GLU CB C 13 30.628 0.300 . 1 . . . . 25 GLU CB . 10040 1 215 . 1 1 25 25 GLU CG C 13 37.229 0.300 . 1 . . . . 25 GLU CG . 10040 1 216 . 1 1 25 25 GLU N N 15 124.918 0.300 . 1 . . . . 25 GLU N . 10040 1 217 . 1 1 26 26 VAL H H 1 8.952 0.030 . 1 . . . . 26 VAL H . 10040 1 218 . 1 1 26 26 VAL HA H 1 4.664 0.030 . 1 . . . . 26 VAL HA . 10040 1 219 . 1 1 26 26 VAL HB H 1 2.162 0.030 . 1 . . . . 26 VAL HB . 10040 1 220 . 1 1 26 26 VAL HG11 H 1 0.736 0.030 . 1 . . . . 26 VAL HG1 . 10040 1 221 . 1 1 26 26 VAL HG12 H 1 0.736 0.030 . 1 . . . . 26 VAL HG1 . 10040 1 222 . 1 1 26 26 VAL HG13 H 1 0.736 0.030 . 1 . . . . 26 VAL HG1 . 10040 1 223 . 1 1 26 26 VAL HG21 H 1 0.602 0.030 . 1 . . . . 26 VAL HG2 . 10040 1 224 . 1 1 26 26 VAL HG22 H 1 0.602 0.030 . 1 . . . . 26 VAL HG2 . 10040 1 225 . 1 1 26 26 VAL HG23 H 1 0.602 0.030 . 1 . . . . 26 VAL HG2 . 10040 1 226 . 1 1 26 26 VAL C C 13 174.429 0.300 . 1 . . . . 26 VAL C . 10040 1 227 . 1 1 26 26 VAL CA C 13 58.682 0.300 . 1 . . . . 26 VAL CA . 10040 1 228 . 1 1 26 26 VAL CB C 13 35.480 0.300 . 1 . . . . 26 VAL CB . 10040 1 229 . 1 1 26 26 VAL CG1 C 13 22.758 0.300 . 2 . . . . 26 VAL CG1 . 10040 1 230 . 1 1 26 26 VAL CG2 C 13 19.158 0.300 . 2 . . . . 26 VAL CG2 . 10040 1 231 . 1 1 26 26 VAL N N 15 117.703 0.300 . 1 . . . . 26 VAL N . 10040 1 232 . 1 1 27 27 ALA H H 1 8.400 0.030 . 1 . . . . 27 ALA H . 10040 1 233 . 1 1 27 27 ALA HA H 1 4.494 0.030 . 1 . . . . 27 ALA HA . 10040 1 234 . 1 1 27 27 ALA HB1 H 1 1.421 0.030 . 1 . . . . 27 ALA HB . 10040 1 235 . 1 1 27 27 ALA HB2 H 1 1.421 0.030 . 1 . . . . 27 ALA HB . 10040 1 236 . 1 1 27 27 ALA HB3 H 1 1.421 0.030 . 1 . . . . 27 ALA HB . 10040 1 237 . 1 1 27 27 ALA C C 13 178.294 0.300 . 1 . . . . 27 ALA C . 10040 1 238 . 1 1 27 27 ALA CA C 13 51.188 0.300 . 1 . . . . 27 ALA CA . 10040 1 239 . 1 1 27 27 ALA CB C 13 19.693 0.300 . 1 . . . . 27 ALA CB . 10040 1 240 . 1 1 27 27 ALA N N 15 123.905 0.300 . 1 . . . . 27 ALA N . 10040 1 241 . 1 1 28 28 ALA H H 1 8.741 0.030 . 1 . . . . 28 ALA H . 10040 1 242 . 1 1 28 28 ALA HA H 1 3.750 0.030 . 1 . . . . 28 ALA HA . 10040 1 243 . 1 1 28 28 ALA HB1 H 1 1.408 0.030 . 1 . . . . 28 ALA HB . 10040 1 244 . 1 1 28 28 ALA HB2 H 1 1.408 0.030 . 1 . . . . 28 ALA HB . 10040 1 245 . 1 1 28 28 ALA HB3 H 1 1.408 0.030 . 1 . . . . 28 ALA HB . 10040 1 246 . 1 1 28 28 ALA C C 13 179.045 0.300 . 1 . . . . 28 ALA C . 10040 1 247 . 1 1 28 28 ALA CA C 13 54.883 0.300 . 1 . . . . 28 ALA CA . 10040 1 248 . 1 1 28 28 ALA CB C 13 18.048 0.300 . 1 . . . . 28 ALA CB . 10040 1 249 . 1 1 28 28 ALA N N 15 121.786 0.300 . 1 . . . . 28 ALA N . 10040 1 250 . 1 1 29 29 GLY H H 1 8.266 0.030 . 1 . . . . 29 GLY H . 10040 1 251 . 1 1 29 29 GLY HA2 H 1 4.004 0.030 . 2 . . . . 29 GLY HA2 . 10040 1 252 . 1 1 29 29 GLY HA3 H 1 3.843 0.030 . 2 . . . . 29 GLY HA3 . 10040 1 253 . 1 1 29 29 GLY C C 13 174.890 0.300 . 1 . . . . 29 GLY C . 10040 1 254 . 1 1 29 29 GLY CA C 13 44.715 0.300 . 1 . . . . 29 GLY CA . 10040 1 255 . 1 1 29 29 GLY N N 15 106.501 0.300 . 1 . . . . 29 GLY N . 10040 1 256 . 1 1 30 30 ALA H H 1 7.650 0.030 . 1 . . . . 30 ALA H . 10040 1 257 . 1 1 30 30 ALA HA H 1 4.415 0.030 . 1 . . . . 30 ALA HA . 10040 1 258 . 1 1 30 30 ALA HB1 H 1 1.449 0.030 . 1 . . . . 30 ALA HB . 10040 1 259 . 1 1 30 30 ALA HB2 H 1 1.449 0.030 . 1 . . . . 30 ALA HB . 10040 1 260 . 1 1 30 30 ALA HB3 H 1 1.449 0.030 . 1 . . . . 30 ALA HB . 10040 1 261 . 1 1 30 30 ALA C C 13 178.572 0.300 . 1 . . . . 30 ALA C . 10040 1 262 . 1 1 30 30 ALA CA C 13 53.124 0.300 . 1 . . . . 30 ALA CA . 10040 1 263 . 1 1 30 30 ALA CB C 13 19.323 0.300 . 1 . . . . 30 ALA CB . 10040 1 264 . 1 1 30 30 ALA N N 15 122.837 0.300 . 1 . . . . 30 ALA N . 10040 1 265 . 1 1 31 31 THR H H 1 8.557 0.030 . 1 . . . . 31 THR H . 10040 1 266 . 1 1 31 31 THR HA H 1 5.118 0.030 . 1 . . . . 31 THR HA . 10040 1 267 . 1 1 31 31 THR HB H 1 5.036 0.030 . 1 . . . . 31 THR HB . 10040 1 268 . 1 1 31 31 THR HG21 H 1 1.265 0.030 . 1 . . . . 31 THR HG2 . 10040 1 269 . 1 1 31 31 THR HG22 H 1 1.265 0.030 . 1 . . . . 31 THR HG2 . 10040 1 270 . 1 1 31 31 THR HG23 H 1 1.265 0.030 . 1 . . . . 31 THR HG2 . 10040 1 271 . 1 1 31 31 THR C C 13 176.077 0.300 . 1 . . . . 31 THR C . 10040 1 272 . 1 1 31 31 THR CA C 13 60.036 0.300 . 1 . . . . 31 THR CA . 10040 1 273 . 1 1 31 31 THR CB C 13 71.822 0.300 . 1 . . . . 31 THR CB . 10040 1 274 . 1 1 31 31 THR CG2 C 13 21.969 0.300 . 1 . . . . 31 THR CG2 . 10040 1 275 . 1 1 31 31 THR N N 15 115.345 0.300 . 1 . . . . 31 THR N . 10040 1 276 . 1 1 32 32 ALA H H 1 8.578 0.030 . 1 . . . . 32 ALA H . 10040 1 277 . 1 1 32 32 ALA HA H 1 3.690 0.030 . 1 . . . . 32 ALA HA . 10040 1 278 . 1 1 32 32 ALA HB1 H 1 1.471 0.030 . 1 . . . . 32 ALA HB . 10040 1 279 . 1 1 32 32 ALA HB2 H 1 1.471 0.030 . 1 . . . . 32 ALA HB . 10040 1 280 . 1 1 32 32 ALA HB3 H 1 1.471 0.030 . 1 . . . . 32 ALA HB . 10040 1 281 . 1 1 32 32 ALA C C 13 179.420 0.300 . 1 . . . . 32 ALA C . 10040 1 282 . 1 1 32 32 ALA CA C 13 55.744 0.300 . 1 . . . . 32 ALA CA . 10040 1 283 . 1 1 32 32 ALA CB C 13 18.706 0.300 . 1 . . . . 32 ALA CB . 10040 1 284 . 1 1 32 32 ALA N N 15 123.135 0.300 . 1 . . . . 32 ALA N . 10040 1 285 . 1 1 33 33 ARG H H 1 8.589 0.030 . 1 . . . . 33 ARG H . 10040 1 286 . 1 1 33 33 ARG HA H 1 4.121 0.030 . 1 . . . . 33 ARG HA . 10040 1 287 . 1 1 33 33 ARG HB2 H 1 1.793 0.030 . 2 . . . . 33 ARG HB2 . 10040 1 288 . 1 1 33 33 ARG HB3 H 1 1.758 0.030 . 2 . . . . 33 ARG HB3 . 10040 1 289 . 1 1 33 33 ARG HG2 H 1 1.650 0.030 . 1 . . . . 33 ARG HG2 . 10040 1 290 . 1 1 33 33 ARG HG3 H 1 1.650 0.030 . 1 . . . . 33 ARG HG3 . 10040 1 291 . 1 1 33 33 ARG HD2 H 1 3.240 0.030 . 1 . . . . 33 ARG HD2 . 10040 1 292 . 1 1 33 33 ARG HD3 H 1 3.240 0.030 . 1 . . . . 33 ARG HD3 . 10040 1 293 . 1 1 33 33 ARG C C 13 177.870 0.300 . 1 . . . . 33 ARG C . 10040 1 294 . 1 1 33 33 ARG CA C 13 59.227 0.300 . 1 . . . . 33 ARG CA . 10040 1 295 . 1 1 33 33 ARG CB C 13 29.642 0.300 . 1 . . . . 33 ARG CB . 10040 1 296 . 1 1 33 33 ARG CG C 13 26.232 0.300 . 1 . . . . 33 ARG CG . 10040 1 297 . 1 1 33 33 ARG CD C 13 42.820 0.300 . 1 . . . . 33 ARG CD . 10040 1 298 . 1 1 33 33 ARG N N 15 117.980 0.300 . 1 . . . . 33 ARG N . 10040 1 299 . 1 1 34 34 HIS H H 1 7.708 0.030 . 1 . . . . 34 HIS H . 10040 1 300 . 1 1 34 34 HIS HA H 1 4.313 0.030 . 1 . . . . 34 HIS HA . 10040 1 301 . 1 1 34 34 HIS HB2 H 1 3.403 0.030 . 2 . . . . 34 HIS HB2 . 10040 1 302 . 1 1 34 34 HIS HB3 H 1 3.300 0.030 . 2 . . . . 34 HIS HB3 . 10040 1 303 . 1 1 34 34 HIS HD2 H 1 6.877 0.030 . 1 . . . . 34 HIS HD2 . 10040 1 304 . 1 1 34 34 HIS HE1 H 1 7.854 0.030 . 1 . . . . 34 HIS HE1 . 10040 1 305 . 1 1 34 34 HIS C C 13 178.899 0.300 . 1 . . . . 34 HIS C . 10040 1 306 . 1 1 34 34 HIS CA C 13 59.702 0.300 . 1 . . . . 34 HIS CA . 10040 1 307 . 1 1 34 34 HIS CB C 13 30.670 0.300 . 1 . . . . 34 HIS CB . 10040 1 308 . 1 1 34 34 HIS CD2 C 13 118.154 0.300 . 1 . . . . 34 HIS CD2 . 10040 1 309 . 1 1 34 34 HIS CE1 C 13 139.091 0.300 . 1 . . . . 34 HIS CE1 . 10040 1 310 . 1 1 34 34 HIS N N 15 119.032 0.300 . 1 . . . . 34 HIS N . 10040 1 311 . 1 1 35 35 VAL H H 1 8.164 0.030 . 1 . . . . 35 VAL H . 10040 1 312 . 1 1 35 35 VAL HA H 1 3.482 0.030 . 1 . . . . 35 VAL HA . 10040 1 313 . 1 1 35 35 VAL HB H 1 2.050 0.030 . 1 . . . . 35 VAL HB . 10040 1 314 . 1 1 35 35 VAL HG11 H 1 0.654 0.030 . 1 . . . . 35 VAL HG1 . 10040 1 315 . 1 1 35 35 VAL HG12 H 1 0.654 0.030 . 1 . . . . 35 VAL HG1 . 10040 1 316 . 1 1 35 35 VAL HG13 H 1 0.654 0.030 . 1 . . . . 35 VAL HG1 . 10040 1 317 . 1 1 35 35 VAL HG21 H 1 0.913 0.030 . 1 . . . . 35 VAL HG2 . 10040 1 318 . 1 1 35 35 VAL HG22 H 1 0.913 0.030 . 1 . . . . 35 VAL HG2 . 10040 1 319 . 1 1 35 35 VAL HG23 H 1 0.913 0.030 . 1 . . . . 35 VAL HG2 . 10040 1 320 . 1 1 35 35 VAL C C 13 177.688 0.300 . 1 . . . . 35 VAL C . 10040 1 321 . 1 1 35 35 VAL CA C 13 66.897 0.300 . 1 . . . . 35 VAL CA . 10040 1 322 . 1 1 35 35 VAL CB C 13 31.081 0.300 . 1 . . . . 35 VAL CB . 10040 1 323 . 1 1 35 35 VAL CG1 C 13 21.525 0.300 . 2 . . . . 35 VAL CG1 . 10040 1 324 . 1 1 35 35 VAL CG2 C 13 24.320 0.300 . 2 . . . . 35 VAL CG2 . 10040 1 325 . 1 1 35 35 VAL N N 15 118.558 0.300 . 1 . . . . 35 VAL N . 10040 1 326 . 1 1 36 36 CYS H H 1 8.471 0.030 . 1 . . . . 36 CYS H . 10040 1 327 . 1 1 36 36 CYS HA H 1 3.814 0.030 . 1 . . . . 36 CYS HA . 10040 1 328 . 1 1 36 36 CYS HB2 H 1 3.309 0.030 . 2 . . . . 36 CYS HB2 . 10040 1 329 . 1 1 36 36 CYS HB3 H 1 2.916 0.030 . 2 . . . . 36 CYS HB3 . 10040 1 330 . 1 1 36 36 CYS C C 13 176.792 0.300 . 1 . . . . 36 CYS C . 10040 1 331 . 1 1 36 36 CYS CA C 13 64.804 0.300 . 1 . . . . 36 CYS CA . 10040 1 332 . 1 1 36 36 CYS CB C 13 27.011 0.300 . 1 . . . . 36 CYS CB . 10040 1 333 . 1 1 36 36 CYS N N 15 117.889 0.300 . 1 . . . . 36 CYS N . 10040 1 334 . 1 1 37 37 GLU H H 1 8.208 0.030 . 1 . . . . 37 GLU H . 10040 1 335 . 1 1 37 37 GLU HA H 1 3.969 0.030 . 1 . . . . 37 GLU HA . 10040 1 336 . 1 1 37 37 GLU HB2 H 1 2.168 0.030 . 2 . . . . 37 GLU HB2 . 10040 1 337 . 1 1 37 37 GLU HB3 H 1 2.011 0.030 . 2 . . . . 37 GLU HB3 . 10040 1 338 . 1 1 37 37 GLU HG2 H 1 2.289 0.030 . 2 . . . . 37 GLU HG2 . 10040 1 339 . 1 1 37 37 GLU HG3 H 1 2.532 0.030 . 2 . . . . 37 GLU HG3 . 10040 1 340 . 1 1 37 37 GLU C C 13 178.936 0.300 . 1 . . . . 37 GLU C . 10040 1 341 . 1 1 37 37 GLU CA C 13 59.333 0.300 . 1 . . . . 37 GLU CA . 10040 1 342 . 1 1 37 37 GLU CB C 13 29.272 0.300 . 1 . . . . 37 GLU CB . 10040 1 343 . 1 1 37 37 GLU CG C 13 36.983 0.300 . 1 . . . . 37 GLU CG . 10040 1 344 . 1 1 37 37 GLU N N 15 117.832 0.300 . 1 . . . . 37 GLU N . 10040 1 345 . 1 1 38 38 MET H H 1 7.622 0.030 . 1 . . . . 38 MET H . 10040 1 346 . 1 1 38 38 MET HA H 1 4.112 0.030 . 1 . . . . 38 MET HA . 10040 1 347 . 1 1 38 38 MET HB2 H 1 2.200 0.030 . 2 . . . . 38 MET HB2 . 10040 1 348 . 1 1 38 38 MET HB3 H 1 2.009 0.030 . 2 . . . . 38 MET HB3 . 10040 1 349 . 1 1 38 38 MET HG2 H 1 2.437 0.030 . 2 . . . . 38 MET HG2 . 10040 1 350 . 1 1 38 38 MET HG3 H 1 2.636 0.030 . 2 . . . . 38 MET HG3 . 10040 1 351 . 1 1 38 38 MET HE1 H 1 2.059 0.030 . 1 . . . . 38 MET HE . 10040 1 352 . 1 1 38 38 MET HE2 H 1 2.059 0.030 . 1 . . . . 38 MET HE . 10040 1 353 . 1 1 38 38 MET HE3 H 1 2.059 0.030 . 1 . . . . 38 MET HE . 10040 1 354 . 1 1 38 38 MET C C 13 178.257 0.300 . 1 . . . . 38 MET C . 10040 1 355 . 1 1 38 38 MET CA C 13 58.172 0.300 . 1 . . . . 38 MET CA . 10040 1 356 . 1 1 38 38 MET CB C 13 33.218 0.300 . 1 . . . . 38 MET CB . 10040 1 357 . 1 1 38 38 MET CG C 13 31.720 0.300 . 1 . . . . 38 MET CG . 10040 1 358 . 1 1 38 38 MET CE C 13 17.113 0.300 . 1 . . . . 38 MET CE . 10040 1 359 . 1 1 38 38 MET N N 15 117.524 0.300 . 1 . . . . 38 MET N . 10040 1 360 . 1 1 39 39 LEU H H 1 7.556 0.030 . 1 . . . . 39 LEU H . 10040 1 361 . 1 1 39 39 LEU HA H 1 3.859 0.030 . 1 . . . . 39 LEU HA . 10040 1 362 . 1 1 39 39 LEU HB2 H 1 1.144 0.030 . 2 . . . . 39 LEU HB2 . 10040 1 363 . 1 1 39 39 LEU HB3 H 1 0.597 0.030 . 2 . . . . 39 LEU HB3 . 10040 1 364 . 1 1 39 39 LEU HG H 1 1.485 0.030 . 1 . . . . 39 LEU HG . 10040 1 365 . 1 1 39 39 LEU HD11 H 1 0.088 0.030 . 1 . . . . 39 LEU HD1 . 10040 1 366 . 1 1 39 39 LEU HD12 H 1 0.088 0.030 . 1 . . . . 39 LEU HD1 . 10040 1 367 . 1 1 39 39 LEU HD13 H 1 0.088 0.030 . 1 . . . . 39 LEU HD1 . 10040 1 368 . 1 1 39 39 LEU HD21 H 1 0.383 0.030 . 1 . . . . 39 LEU HD2 . 10040 1 369 . 1 1 39 39 LEU HD22 H 1 0.383 0.030 . 1 . . . . 39 LEU HD2 . 10040 1 370 . 1 1 39 39 LEU HD23 H 1 0.383 0.030 . 1 . . . . 39 LEU HD2 . 10040 1 371 . 1 1 39 39 LEU C C 13 178.415 0.300 . 1 . . . . 39 LEU C . 10040 1 372 . 1 1 39 39 LEU CA C 13 56.377 0.300 . 1 . . . . 39 LEU CA . 10040 1 373 . 1 1 39 39 LEU CB C 13 42.281 0.300 . 1 . . . . 39 LEU CB . 10040 1 374 . 1 1 39 39 LEU CG C 13 26.067 0.300 . 1 . . . . 39 LEU CG . 10040 1 375 . 1 1 39 39 LEU CD1 C 13 26.047 0.300 . 2 . . . . 39 LEU CD1 . 10040 1 376 . 1 1 39 39 LEU CD2 C 13 21.936 0.300 . 2 . . . . 39 LEU CD2 . 10040 1 377 . 1 1 39 39 LEU N N 15 119.002 0.300 . 1 . . . . 39 LEU N . 10040 1 378 . 1 1 40 40 VAL H H 1 7.788 0.030 . 1 . . . . 40 VAL H . 10040 1 379 . 1 1 40 40 VAL HA H 1 3.706 0.030 . 1 . . . . 40 VAL HA . 10040 1 380 . 1 1 40 40 VAL HB H 1 1.995 0.030 . 1 . . . . 40 VAL HB . 10040 1 381 . 1 1 40 40 VAL HG11 H 1 0.795 0.030 . 1 . . . . 40 VAL HG1 . 10040 1 382 . 1 1 40 40 VAL HG12 H 1 0.795 0.030 . 1 . . . . 40 VAL HG1 . 10040 1 383 . 1 1 40 40 VAL HG13 H 1 0.795 0.030 . 1 . . . . 40 VAL HG1 . 10040 1 384 . 1 1 40 40 VAL HG21 H 1 0.770 0.030 . 1 . . . . 40 VAL HG2 . 10040 1 385 . 1 1 40 40 VAL HG22 H 1 0.770 0.030 . 1 . . . . 40 VAL HG2 . 10040 1 386 . 1 1 40 40 VAL HG23 H 1 0.770 0.030 . 1 . . . . 40 VAL HG2 . 10040 1 387 . 1 1 40 40 VAL C C 13 176.549 0.300 . 1 . . . . 40 VAL C . 10040 1 388 . 1 1 40 40 VAL CA C 13 63.871 0.300 . 1 . . . . 40 VAL CA . 10040 1 389 . 1 1 40 40 VAL CB C 13 32.396 0.300 . 1 . . . . 40 VAL CB . 10040 1 390 . 1 1 40 40 VAL CG1 C 13 21.714 0.300 . 2 . . . . 40 VAL CG1 . 10040 1 391 . 1 1 40 40 VAL CG2 C 13 20.965 0.300 . 2 . . . . 40 VAL CG2 . 10040 1 392 . 1 1 40 40 VAL N N 15 118.559 0.300 . 1 . . . . 40 VAL N . 10040 1 393 . 1 1 41 41 GLN H H 1 7.922 0.030 . 1 . . . . 41 GLN H . 10040 1 394 . 1 1 41 41 GLN HA H 1 4.180 0.030 . 1 . . . . 41 GLN HA . 10040 1 395 . 1 1 41 41 GLN HB2 H 1 2.095 0.030 . 2 . . . . 41 GLN HB2 . 10040 1 396 . 1 1 41 41 GLN HB3 H 1 1.997 0.030 . 2 . . . . 41 GLN HB3 . 10040 1 397 . 1 1 41 41 GLN HG2 H 1 2.357 0.030 . 2 . . . . 41 GLN HG2 . 10040 1 398 . 1 1 41 41 GLN HG3 H 1 2.417 0.030 . 2 . . . . 41 GLN HG3 . 10040 1 399 . 1 1 41 41 GLN HE21 H 1 7.474 0.030 . 2 . . . . 41 GLN HE21 . 10040 1 400 . 1 1 41 41 GLN HE22 H 1 6.807 0.030 . 2 . . . . 41 GLN HE22 . 10040 1 401 . 1 1 41 41 GLN C C 13 177.010 0.300 . 1 . . . . 41 GLN C . 10040 1 402 . 1 1 41 41 GLN CA C 13 56.782 0.300 . 1 . . . . 41 GLN CA . 10040 1 403 . 1 1 41 41 GLN CB C 13 28.819 0.300 . 1 . . . . 41 GLN CB . 10040 1 404 . 1 1 41 41 GLN CG C 13 34.023 0.300 . 1 . . . . 41 GLN CG . 10040 1 405 . 1 1 41 41 GLN N N 15 121.106 0.300 . 1 . . . . 41 GLN N . 10040 1 406 . 1 1 41 41 GLN NE2 N 15 112.248 0.300 . 1 . . . . 41 GLN NE2 . 10040 1 407 . 1 1 42 42 ARG H H 1 8.033 0.030 . 1 . . . . 42 ARG H . 10040 1 408 . 1 1 42 42 ARG HA H 1 4.205 0.030 . 1 . . . . 42 ARG HA . 10040 1 409 . 1 1 42 42 ARG HB2 H 1 1.734 0.030 . 2 . . . . 42 ARG HB2 . 10040 1 410 . 1 1 42 42 ARG HB3 H 1 1.880 0.030 . 2 . . . . 42 ARG HB3 . 10040 1 411 . 1 1 42 42 ARG HG2 H 1 1.673 0.030 . 1 . . . . 42 ARG HG2 . 10040 1 412 . 1 1 42 42 ARG HG3 H 1 1.673 0.030 . 1 . . . . 42 ARG HG3 . 10040 1 413 . 1 1 42 42 ARG HD2 H 1 3.184 0.030 . 2 . . . . 42 ARG HD2 . 10040 1 414 . 1 1 42 42 ARG HD3 H 1 3.143 0.030 . 2 . . . . 42 ARG HD3 . 10040 1 415 . 1 1 42 42 ARG C C 13 176.343 0.300 . 1 . . . . 42 ARG C . 10040 1 416 . 1 1 42 42 ARG CA C 13 56.817 0.300 . 1 . . . . 42 ARG CA . 10040 1 417 . 1 1 42 42 ARG CB C 13 30.423 0.300 . 1 . . . . 42 ARG CB . 10040 1 418 . 1 1 42 42 ARG CG C 13 27.235 0.300 . 1 . . . . 42 ARG CG . 10040 1 419 . 1 1 42 42 ARG CD C 13 43.314 0.300 . 1 . . . . 42 ARG CD . 10040 1 420 . 1 1 42 42 ARG N N 15 119.768 0.300 . 1 . . . . 42 ARG N . 10040 1 421 . 1 1 43 43 ALA H H 1 8.108 0.030 . 1 . . . . 43 ALA H . 10040 1 422 . 1 1 43 43 ALA HA H 1 4.244 0.030 . 1 . . . . 43 ALA HA . 10040 1 423 . 1 1 43 43 ALA HB1 H 1 1.293 0.030 . 1 . . . . 43 ALA HB . 10040 1 424 . 1 1 43 43 ALA HB2 H 1 1.293 0.030 . 1 . . . . 43 ALA HB . 10040 1 425 . 1 1 43 43 ALA HB3 H 1 1.293 0.030 . 1 . . . . 43 ALA HB . 10040 1 426 . 1 1 43 43 ALA C C 13 177.409 0.300 . 1 . . . . 43 ALA C . 10040 1 427 . 1 1 43 43 ALA CA C 13 52.789 0.300 . 1 . . . . 43 ALA CA . 10040 1 428 . 1 1 43 43 ALA CB C 13 18.994 0.300 . 1 . . . . 43 ALA CB . 10040 1 429 . 1 1 43 43 ALA N N 15 122.390 0.300 . 1 . . . . 43 ALA N . 10040 1 430 . 1 1 44 44 HIS HA H 1 4.522 0.030 . 1 . . . . 44 HIS HA . 10040 1 431 . 1 1 44 44 HIS HB2 H 1 3.170 0.030 . 2 . . . . 44 HIS HB2 . 10040 1 432 . 1 1 44 44 HIS HB3 H 1 3.092 0.030 . 2 . . . . 44 HIS HB3 . 10040 1 433 . 1 1 44 44 HIS HD2 H 1 6.957 0.030 . 1 . . . . 44 HIS HD2 . 10040 1 434 . 1 1 44 44 HIS HE1 H 1 7.854 0.030 . 1 . . . . 44 HIS HE1 . 10040 1 435 . 1 1 44 44 HIS C C 13 175.326 0.300 . 1 . . . . 44 HIS C . 10040 1 436 . 1 1 44 44 HIS CA C 13 56.617 0.300 . 1 . . . . 44 HIS CA . 10040 1 437 . 1 1 44 44 HIS CB C 13 30.217 0.300 . 1 . . . . 44 HIS CB . 10040 1 438 . 1 1 44 44 HIS CD2 C 13 119.947 0.300 . 1 . . . . 44 HIS CD2 . 10040 1 439 . 1 1 44 44 HIS CE1 C 13 138.234 0.300 . 1 . . . . 44 HIS CE1 . 10040 1 440 . 1 1 44 44 HIS N N 15 119.768 0.300 . 1 . . . . 44 HIS N . 10040 1 441 . 1 1 45 45 ALA H H 1 8.061 0.030 . 1 . . . . 45 ALA H . 10040 1 442 . 1 1 45 45 ALA HA H 1 4.312 0.030 . 1 . . . . 45 ALA HA . 10040 1 443 . 1 1 45 45 ALA HB1 H 1 1.349 0.030 . 1 . . . . 45 ALA HB . 10040 1 444 . 1 1 45 45 ALA HB2 H 1 1.349 0.030 . 1 . . . . 45 ALA HB . 10040 1 445 . 1 1 45 45 ALA HB3 H 1 1.349 0.030 . 1 . . . . 45 ALA HB . 10040 1 446 . 1 1 45 45 ALA C C 13 177.506 0.300 . 1 . . . . 45 ALA C . 10040 1 447 . 1 1 45 45 ALA CA C 13 52.789 0.300 . 1 . . . . 45 ALA CA . 10040 1 448 . 1 1 45 45 ALA CB C 13 19.469 0.300 . 1 . . . . 45 ALA CB . 10040 1 449 . 1 1 45 45 ALA N N 15 123.832 0.300 . 1 . . . . 45 ALA N . 10040 1 450 . 1 1 46 46 LEU H H 1 8.328 0.030 . 1 . . . . 46 LEU H . 10040 1 451 . 1 1 46 46 LEU HA H 1 4.430 0.030 . 1 . . . . 46 LEU HA . 10040 1 452 . 1 1 46 46 LEU HB2 H 1 1.735 0.030 . 2 . . . . 46 LEU HB2 . 10040 1 453 . 1 1 46 46 LEU HB3 H 1 1.697 0.030 . 2 . . . . 46 LEU HB3 . 10040 1 454 . 1 1 46 46 LEU HD11 H 1 0.955 0.030 . 1 . . . . 46 LEU HD1 . 10040 1 455 . 1 1 46 46 LEU HD12 H 1 0.955 0.030 . 1 . . . . 46 LEU HD1 . 10040 1 456 . 1 1 46 46 LEU HD13 H 1 0.955 0.030 . 1 . . . . 46 LEU HD1 . 10040 1 457 . 1 1 46 46 LEU HD21 H 1 0.901 0.030 . 1 . . . . 46 LEU HD2 . 10040 1 458 . 1 1 46 46 LEU HD22 H 1 0.901 0.030 . 1 . . . . 46 LEU HD2 . 10040 1 459 . 1 1 46 46 LEU HD23 H 1 0.901 0.030 . 1 . . . . 46 LEU HD2 . 10040 1 460 . 1 1 46 46 LEU C C 13 177.567 0.300 . 1 . . . . 46 LEU C . 10040 1 461 . 1 1 46 46 LEU CA C 13 55.093 0.300 . 1 . . . . 46 LEU CA . 10040 1 462 . 1 1 46 46 LEU CB C 13 41.975 0.300 . 1 . . . . 46 LEU CB . 10040 1 463 . 1 1 46 46 LEU CG C 13 27.034 0.300 . 1 . . . . 46 LEU CG . 10040 1 464 . 1 1 46 46 LEU CD1 C 13 25.228 0.300 . 2 . . . . 46 LEU CD1 . 10040 1 465 . 1 1 46 46 LEU CD2 C 13 23.222 0.300 . 2 . . . . 46 LEU CD2 . 10040 1 466 . 1 1 46 46 LEU N N 15 120.092 0.300 . 1 . . . . 46 LEU N . 10040 1 467 . 1 1 47 47 SER H H 1 8.061 0.030 . 1 . . . . 47 SER H . 10040 1 468 . 1 1 47 47 SER HA H 1 4.100 0.030 . 1 . . . . 47 SER HA . 10040 1 469 . 1 1 47 47 SER HB2 H 1 3.654 0.030 . 2 . . . . 47 SER HB2 . 10040 1 470 . 1 1 47 47 SER HB3 H 1 3.761 0.030 . 2 . . . . 47 SER HB3 . 10040 1 471 . 1 1 47 47 SER C C 13 174.066 0.300 . 1 . . . . 47 SER C . 10040 1 472 . 1 1 47 47 SER CA C 13 58.805 0.300 . 1 . . . . 47 SER CA . 10040 1 473 . 1 1 47 47 SER CB C 13 63.988 0.300 . 1 . . . . 47 SER CB . 10040 1 474 . 1 1 47 47 SER N N 15 115.260 0.300 . 1 . . . . 47 SER N . 10040 1 475 . 1 1 48 48 ASP HA H 1 4.662 0.030 . 1 . . . . 48 ASP HA . 10040 1 476 . 1 1 48 48 ASP HB2 H 1 2.823 0.030 . 2 . . . . 48 ASP HB2 . 10040 1 477 . 1 1 48 48 ASP HB3 H 1 2.750 0.030 . 2 . . . . 48 ASP HB3 . 10040 1 478 . 1 1 48 48 ASP C C 13 176.125 0.300 . 1 . . . . 48 ASP C . 10040 1 479 . 1 1 48 48 ASP CA C 13 54.267 0.300 . 1 . . . . 48 ASP CA . 10040 1 480 . 1 1 48 48 ASP CB C 13 41.027 0.300 . 1 . . . . 48 ASP CB . 10040 1 481 . 1 1 49 49 GLU H H 1 8.264 0.030 . 1 . . . . 49 GLU H . 10040 1 482 . 1 1 49 49 GLU HA H 1 4.457 0.030 . 1 . . . . 49 GLU HA . 10040 1 483 . 1 1 49 49 GLU HB2 H 1 2.015 0.030 . 2 . . . . 49 GLU HB2 . 10040 1 484 . 1 1 49 49 GLU HB3 H 1 1.937 0.030 . 2 . . . . 49 GLU HB3 . 10040 1 485 . 1 1 49 49 GLU HG2 H 1 2.295 0.030 . 2 . . . . 49 GLU HG2 . 10040 1 486 . 1 1 49 49 GLU HG3 H 1 2.202 0.030 . 2 . . . . 49 GLU HG3 . 10040 1 487 . 1 1 49 49 GLU C C 13 176.028 0.300 . 1 . . . . 49 GLU C . 10040 1 488 . 1 1 49 49 GLU CA C 13 56.606 0.300 . 1 . . . . 49 GLU CA . 10040 1 489 . 1 1 49 49 GLU CB C 13 30.875 0.300 . 1 . . . . 49 GLU CB . 10040 1 490 . 1 1 49 49 GLU CG C 13 36.571 0.300 . 1 . . . . 49 GLU CG . 10040 1 491 . 1 1 49 49 GLU N N 15 119.390 0.300 . 1 . . . . 49 GLU N . 10040 1 492 . 1 1 50 50 THR H H 1 8.532 0.030 . 1 . . . . 50 THR H . 10040 1 493 . 1 1 50 50 THR HA H 1 4.564 0.030 . 1 . . . . 50 THR HA . 10040 1 494 . 1 1 50 50 THR HB H 1 4.233 0.030 . 1 . . . . 50 THR HB . 10040 1 495 . 1 1 50 50 THR HG21 H 1 1.238 0.030 . 1 . . . . 50 THR HG2 . 10040 1 496 . 1 1 50 50 THR HG22 H 1 1.238 0.030 . 1 . . . . 50 THR HG2 . 10040 1 497 . 1 1 50 50 THR HG23 H 1 1.238 0.030 . 1 . . . . 50 THR HG2 . 10040 1 498 . 1 1 50 50 THR C C 13 173.593 0.300 . 1 . . . . 50 THR C . 10040 1 499 . 1 1 50 50 THR CA C 13 61.778 0.300 . 1 . . . . 50 THR CA . 10040 1 500 . 1 1 50 50 THR CB C 13 70.260 0.300 . 1 . . . . 50 THR CB . 10040 1 501 . 1 1 50 50 THR CG2 C 13 21.854 0.300 . 1 . . . . 50 THR CG2 . 10040 1 502 . 1 1 50 50 THR N N 15 115.089 0.300 . 1 . . . . 50 THR N . 10040 1 503 . 1 1 51 51 TRP H H 1 8.448 0.030 . 1 . . . . 51 TRP H . 10040 1 504 . 1 1 51 51 TRP HA H 1 4.765 0.030 . 1 . . . . 51 TRP HA . 10040 1 505 . 1 1 51 51 TRP HB2 H 1 2.736 0.030 . 2 . . . . 51 TRP HB2 . 10040 1 506 . 1 1 51 51 TRP HB3 H 1 2.573 0.030 . 2 . . . . 51 TRP HB3 . 10040 1 507 . 1 1 51 51 TRP HD1 H 1 7.059 0.030 . 1 . . . . 51 TRP HD1 . 10040 1 508 . 1 1 51 51 TRP HE1 H 1 10.334 0.030 . 1 . . . . 51 TRP HE1 . 10040 1 509 . 1 1 51 51 TRP HE3 H 1 6.082 0.030 . 1 . . . . 51 TRP HE3 . 10040 1 510 . 1 1 51 51 TRP HZ2 H 1 7.372 0.030 . 1 . . . . 51 TRP HZ2 . 10040 1 511 . 1 1 51 51 TRP HZ3 H 1 6.768 0.030 . 1 . . . . 51 TRP HZ3 . 10040 1 512 . 1 1 51 51 TRP HH2 H 1 7.130 0.030 . 1 . . . . 51 TRP HH2 . 10040 1 513 . 1 1 51 51 TRP C C 13 175.663 0.300 . 1 . . . . 51 TRP C . 10040 1 514 . 1 1 51 51 TRP CA C 13 56.536 0.300 . 1 . . . . 51 TRP CA . 10040 1 515 . 1 1 51 51 TRP CB C 13 31.779 0.300 . 1 . . . . 51 TRP CB . 10040 1 516 . 1 1 51 51 TRP CD1 C 13 126.116 0.300 . 1 . . . . 51 TRP CD1 . 10040 1 517 . 1 1 51 51 TRP CE3 C 13 120.884 0.300 . 1 . . . . 51 TRP CE3 . 10040 1 518 . 1 1 51 51 TRP CZ2 C 13 114.012 0.300 . 1 . . . . 51 TRP CZ2 . 10040 1 519 . 1 1 51 51 TRP CZ3 C 13 121.616 0.300 . 1 . . . . 51 TRP CZ3 . 10040 1 520 . 1 1 51 51 TRP CH2 C 13 124.161 0.300 . 1 . . . . 51 TRP CH2 . 10040 1 521 . 1 1 51 51 TRP N N 15 124.991 0.300 . 1 . . . . 51 TRP N . 10040 1 522 . 1 1 51 51 TRP NE1 N 15 129.761 0.300 . 1 . . . . 51 TRP NE1 . 10040 1 523 . 1 1 52 52 GLY H H 1 8.487 0.030 . 1 . . . . 52 GLY H . 10040 1 524 . 1 1 52 52 GLY HA2 H 1 4.825 0.030 . 2 . . . . 52 GLY HA2 . 10040 1 525 . 1 1 52 52 GLY HA3 H 1 3.683 0.030 . 2 . . . . 52 GLY HA3 . 10040 1 526 . 1 1 52 52 GLY C C 13 171.183 0.300 . 1 . . . . 52 GLY C . 10040 1 527 . 1 1 52 52 GLY CA C 13 45.225 0.300 . 1 . . . . 52 GLY CA . 10040 1 528 . 1 1 52 52 GLY N N 15 108.147 0.300 . 1 . . . . 52 GLY N . 10040 1 529 . 1 1 53 53 LEU H H 1 9.052 0.030 . 1 . . . . 53 LEU H . 10040 1 530 . 1 1 53 53 LEU HA H 1 5.314 0.030 . 1 . . . . 53 LEU HA . 10040 1 531 . 1 1 53 53 LEU HB2 H 1 1.598 0.030 . 2 . . . . 53 LEU HB2 . 10040 1 532 . 1 1 53 53 LEU HB3 H 1 1.412 0.030 . 2 . . . . 53 LEU HB3 . 10040 1 533 . 1 1 53 53 LEU HG H 1 1.688 0.030 . 1 . . . . 53 LEU HG . 10040 1 534 . 1 1 53 53 LEU HD11 H 1 0.633 0.030 . 1 . . . . 53 LEU HD1 . 10040 1 535 . 1 1 53 53 LEU HD12 H 1 0.633 0.030 . 1 . . . . 53 LEU HD1 . 10040 1 536 . 1 1 53 53 LEU HD13 H 1 0.633 0.030 . 1 . . . . 53 LEU HD1 . 10040 1 537 . 1 1 53 53 LEU HD21 H 1 0.595 0.030 . 1 . . . . 53 LEU HD2 . 10040 1 538 . 1 1 53 53 LEU HD22 H 1 0.595 0.030 . 1 . . . . 53 LEU HD2 . 10040 1 539 . 1 1 53 53 LEU HD23 H 1 0.595 0.030 . 1 . . . . 53 LEU HD2 . 10040 1 540 . 1 1 53 53 LEU C C 13 176.792 0.300 . 1 . . . . 53 LEU C . 10040 1 541 . 1 1 53 53 LEU CA C 13 53.598 0.300 . 1 . . . . 53 LEU CA . 10040 1 542 . 1 1 53 53 LEU CB C 13 45.792 0.300 . 1 . . . . 53 LEU CB . 10040 1 543 . 1 1 53 53 LEU CG C 13 27.116 0.300 . 1 . . . . 53 LEU CG . 10040 1 544 . 1 1 53 53 LEU CD1 C 13 25.479 0.300 . 2 . . . . 53 LEU CD1 . 10040 1 545 . 1 1 53 53 LEU CD2 C 13 24.978 0.300 . 2 . . . . 53 LEU CD2 . 10040 1 546 . 1 1 53 53 LEU N N 15 119.719 0.300 . 1 . . . . 53 LEU N . 10040 1 547 . 1 1 54 54 VAL H H 1 9.451 0.030 . 1 . . . . 54 VAL H . 10040 1 548 . 1 1 54 54 VAL HA H 1 4.841 0.030 . 1 . . . . 54 VAL HA . 10040 1 549 . 1 1 54 54 VAL HB H 1 1.929 0.030 . 1 . . . . 54 VAL HB . 10040 1 550 . 1 1 54 54 VAL HG11 H 1 0.705 0.030 . 1 . . . . 54 VAL HG1 . 10040 1 551 . 1 1 54 54 VAL HG12 H 1 0.705 0.030 . 1 . . . . 54 VAL HG1 . 10040 1 552 . 1 1 54 54 VAL HG13 H 1 0.705 0.030 . 1 . . . . 54 VAL HG1 . 10040 1 553 . 1 1 54 54 VAL HG21 H 1 0.784 0.030 . 1 . . . . 54 VAL HG2 . 10040 1 554 . 1 1 54 54 VAL HG22 H 1 0.784 0.030 . 1 . . . . 54 VAL HG2 . 10040 1 555 . 1 1 54 54 VAL HG23 H 1 0.784 0.030 . 1 . . . . 54 VAL HG2 . 10040 1 556 . 1 1 54 54 VAL C C 13 176.368 0.300 . 1 . . . . 54 VAL C . 10040 1 557 . 1 1 54 54 VAL CA C 13 60.441 0.300 . 1 . . . . 54 VAL CA . 10040 1 558 . 1 1 54 54 VAL CB C 13 35.233 0.300 . 1 . . . . 54 VAL CB . 10040 1 559 . 1 1 54 54 VAL CG1 C 13 21.467 0.300 . 1 . . . . 54 VAL CG1 . 10040 1 560 . 1 1 54 54 VAL CG2 C 13 21.467 0.300 . 1 . . . . 54 VAL CG2 . 10040 1 561 . 1 1 54 54 VAL N N 15 123.881 0.300 . 1 . . . . 54 VAL N . 10040 1 562 . 1 1 55 55 GLU H H 1 9.263 0.030 . 1 . . . . 55 GLU H . 10040 1 563 . 1 1 55 55 GLU HA H 1 5.088 0.030 . 1 . . . . 55 GLU HA . 10040 1 564 . 1 1 55 55 GLU HB2 H 1 2.278 0.030 . 2 . . . . 55 GLU HB2 . 10040 1 565 . 1 1 55 55 GLU HB3 H 1 2.073 0.030 . 2 . . . . 55 GLU HB3 . 10040 1 566 . 1 1 55 55 GLU HG2 H 1 2.462 0.030 . 1 . . . . 55 GLU HG2 . 10040 1 567 . 1 1 55 55 GLU HG3 H 1 2.462 0.030 . 1 . . . . 55 GLU HG3 . 10040 1 568 . 1 1 55 55 GLU C C 13 174.127 0.300 . 1 . . . . 55 GLU C . 10040 1 569 . 1 1 55 55 GLU CA C 13 54.513 0.300 . 1 . . . . 55 GLU CA . 10040 1 570 . 1 1 55 55 GLU CB C 13 31.738 0.300 . 1 . . . . 55 GLU CB . 10040 1 571 . 1 1 55 55 GLU CG C 13 35.667 0.300 . 1 . . . . 55 GLU CG . 10040 1 572 . 1 1 55 55 GLU N N 15 125.005 0.300 . 1 . . . . 55 GLU N . 10040 1 573 . 1 1 56 56 CYS H H 1 8.884 0.030 . 1 . . . . 56 CYS H . 10040 1 574 . 1 1 56 56 CYS HA H 1 4.787 0.030 . 1 . . . . 56 CYS HA . 10040 1 575 . 1 1 56 56 CYS HB2 H 1 2.698 0.030 . 2 . . . . 56 CYS HB2 . 10040 1 576 . 1 1 56 56 CYS HB3 H 1 2.581 0.030 . 2 . . . . 56 CYS HB3 . 10040 1 577 . 1 1 56 56 CYS C C 13 172.867 0.300 . 1 . . . . 56 CYS C . 10040 1 578 . 1 1 56 56 CYS CA C 13 57.398 0.300 . 1 . . . . 56 CYS CA . 10040 1 579 . 1 1 56 56 CYS CB C 13 29.560 0.300 . 1 . . . . 56 CYS CB . 10040 1 580 . 1 1 56 56 CYS N N 15 123.614 0.300 . 1 . . . . 56 CYS N . 10040 1 581 . 1 1 57 57 HIS H H 1 8.439 0.030 . 1 . . . . 57 HIS H . 10040 1 582 . 1 1 57 57 HIS HA H 1 4.955 0.030 . 1 . . . . 57 HIS HA . 10040 1 583 . 1 1 57 57 HIS HB2 H 1 2.918 0.030 . 2 . . . . 57 HIS HB2 . 10040 1 584 . 1 1 57 57 HIS HB3 H 1 2.633 0.030 . 2 . . . . 57 HIS HB3 . 10040 1 585 . 1 1 57 57 HIS HD2 H 1 6.604 0.030 . 1 . . . . 57 HIS HD2 . 10040 1 586 . 1 1 57 57 HIS HE1 H 1 6.793 0.030 . 1 . . . . 57 HIS HE1 . 10040 1 587 . 1 1 57 57 HIS C C 13 174.599 0.300 . 1 . . . . 57 HIS C . 10040 1 588 . 1 1 57 57 HIS CA C 13 52.120 0.300 . 1 . . . . 57 HIS CA . 10040 1 589 . 1 1 57 57 HIS CB C 13 31.756 0.300 . 1 . . . . 57 HIS CB . 10040 1 590 . 1 1 57 57 HIS CD2 C 13 117.923 0.300 . 1 . . . . 57 HIS CD2 . 10040 1 591 . 1 1 57 57 HIS CE1 C 13 138.950 0.300 . 1 . . . . 57 HIS CE1 . 10040 1 592 . 1 1 57 57 HIS N N 15 122.056 0.300 . 1 . . . . 57 HIS N . 10040 1 593 . 1 1 58 58 PRO HA H 1 4.302 0.030 . 1 . . . . 58 PRO HA . 10040 1 594 . 1 1 58 58 PRO HB2 H 1 2.284 0.030 . 2 . . . . 58 PRO HB2 . 10040 1 595 . 1 1 58 58 PRO HB3 H 1 2.003 0.030 . 2 . . . . 58 PRO HB3 . 10040 1 596 . 1 1 58 58 PRO HG2 H 1 1.912 0.030 . 2 . . . . 58 PRO HG2 . 10040 1 597 . 1 1 58 58 PRO HG3 H 1 1.813 0.030 . 2 . . . . 58 PRO HG3 . 10040 1 598 . 1 1 58 58 PRO HD2 H 1 3.649 0.030 . 2 . . . . 58 PRO HD2 . 10040 1 599 . 1 1 58 58 PRO HD3 H 1 3.453 0.030 . 2 . . . . 58 PRO HD3 . 10040 1 600 . 1 1 58 58 PRO CA C 13 65.696 0.300 . 1 . . . . 58 PRO CA . 10040 1 601 . 1 1 58 58 PRO CB C 13 31.728 0.300 . 1 . . . . 58 PRO CB . 10040 1 602 . 1 1 58 58 PRO CG C 13 27.345 0.300 . 1 . . . . 58 PRO CG . 10040 1 603 . 1 1 58 58 PRO CD C 13 50.920 0.300 . 1 . . . . 58 PRO CD . 10040 1 604 . 1 1 59 59 HIS H H 1 9.173 0.030 . 1 . . . . 59 HIS H . 10040 1 605 . 1 1 59 59 HIS HA H 1 4.506 0.030 . 1 . . . . 59 HIS HA . 10040 1 606 . 1 1 59 59 HIS HB2 H 1 3.140 0.030 . 2 . . . . 59 HIS HB2 . 10040 1 607 . 1 1 59 59 HIS HB3 H 1 3.239 0.030 . 2 . . . . 59 HIS HB3 . 10040 1 608 . 1 1 59 59 HIS HD2 H 1 7.013 0.030 . 1 . . . . 59 HIS HD2 . 10040 1 609 . 1 1 59 59 HIS HE1 H 1 7.804 0.030 . 1 . . . . 59 HIS HE1 . 10040 1 610 . 1 1 59 59 HIS C C 13 175.835 0.300 . 1 . . . . 59 HIS C . 10040 1 611 . 1 1 59 59 HIS CA C 13 58.312 0.300 . 1 . . . . 59 HIS CA . 10040 1 612 . 1 1 59 59 HIS CB C 13 28.925 0.300 . 1 . . . . 59 HIS CB . 10040 1 613 . 1 1 59 59 HIS CD2 C 13 119.947 0.300 . 1 . . . . 59 HIS CD2 . 10040 1 614 . 1 1 59 59 HIS CE1 C 13 138.418 0.300 . 1 . . . . 59 HIS CE1 . 10040 1 615 . 1 1 59 59 HIS N N 15 116.701 0.300 . 1 . . . . 59 HIS N . 10040 1 616 . 1 1 60 60 LEU H H 1 6.984 0.030 . 1 . . . . 60 LEU H . 10040 1 617 . 1 1 60 60 LEU HA H 1 4.340 0.030 . 1 . . . . 60 LEU HA . 10040 1 618 . 1 1 60 60 LEU HB2 H 1 1.555 0.030 . 2 . . . . 60 LEU HB2 . 10040 1 619 . 1 1 60 60 LEU HB3 H 1 1.326 0.030 . 2 . . . . 60 LEU HB3 . 10040 1 620 . 1 1 60 60 LEU HG H 1 0.633 0.030 . 1 . . . . 60 LEU HG . 10040 1 621 . 1 1 60 60 LEU HD11 H 1 0.575 0.030 . 1 . . . . 60 LEU HD1 . 10040 1 622 . 1 1 60 60 LEU HD12 H 1 0.575 0.030 . 1 . . . . 60 LEU HD1 . 10040 1 623 . 1 1 60 60 LEU HD13 H 1 0.575 0.030 . 1 . . . . 60 LEU HD1 . 10040 1 624 . 1 1 60 60 LEU HD21 H 1 0.707 0.030 . 1 . . . . 60 LEU HD2 . 10040 1 625 . 1 1 60 60 LEU HD22 H 1 0.707 0.030 . 1 . . . . 60 LEU HD2 . 10040 1 626 . 1 1 60 60 LEU HD23 H 1 0.707 0.030 . 1 . . . . 60 LEU HD2 . 10040 1 627 . 1 1 60 60 LEU C C 13 175.495 0.300 . 1 . . . . 60 LEU C . 10040 1 628 . 1 1 60 60 LEU CA C 13 53.668 0.300 . 1 . . . . 60 LEU CA . 10040 1 629 . 1 1 60 60 LEU CB C 13 43.496 0.300 . 1 . . . . 60 LEU CB . 10040 1 630 . 1 1 60 60 LEU CG C 13 25.268 0.300 . 1 . . . . 60 LEU CG . 10040 1 631 . 1 1 60 60 LEU CD1 C 13 25.981 0.300 . 2 . . . . 60 LEU CD1 . 10040 1 632 . 1 1 60 60 LEU CD2 C 13 22.218 0.300 . 2 . . . . 60 LEU CD2 . 10040 1 633 . 1 1 60 60 LEU N N 15 118.728 0.300 . 1 . . . . 60 LEU N . 10040 1 634 . 1 1 61 61 ALA H H 1 7.842 0.030 . 1 . . . . 61 ALA H . 10040 1 635 . 1 1 61 61 ALA HA H 1 3.925 0.030 . 1 . . . . 61 ALA HA . 10040 1 636 . 1 1 61 61 ALA HB1 H 1 1.391 0.030 . 1 . . . . 61 ALA HB . 10040 1 637 . 1 1 61 61 ALA HB2 H 1 1.391 0.030 . 1 . . . . 61 ALA HB . 10040 1 638 . 1 1 61 61 ALA HB3 H 1 1.391 0.030 . 1 . . . . 61 ALA HB . 10040 1 639 . 1 1 61 61 ALA C C 13 175.423 0.300 . 1 . . . . 61 ALA C . 10040 1 640 . 1 1 61 61 ALA CA C 13 52.807 0.300 . 1 . . . . 61 ALA CA . 10040 1 641 . 1 1 61 61 ALA CB C 13 16.651 0.300 . 1 . . . . 61 ALA CB . 10040 1 642 . 1 1 61 61 ALA N N 15 120.985 0.300 . 1 . . . . 61 ALA N . 10040 1 643 . 1 1 62 62 LEU H H 1 6.971 0.030 . 1 . . . . 62 LEU H . 10040 1 644 . 1 1 62 62 LEU HA H 1 4.833 0.030 . 1 . . . . 62 LEU HA . 10040 1 645 . 1 1 62 62 LEU HB2 H 1 1.436 0.030 . 2 . . . . 62 LEU HB2 . 10040 1 646 . 1 1 62 62 LEU HB3 H 1 1.553 0.030 . 2 . . . . 62 LEU HB3 . 10040 1 647 . 1 1 62 62 LEU HG H 1 1.513 0.030 . 1 . . . . 62 LEU HG . 10040 1 648 . 1 1 62 62 LEU HD11 H 1 0.875 0.030 . 1 . . . . 62 LEU HD1 . 10040 1 649 . 1 1 62 62 LEU HD12 H 1 0.875 0.030 . 1 . . . . 62 LEU HD1 . 10040 1 650 . 1 1 62 62 LEU HD13 H 1 0.875 0.030 . 1 . . . . 62 LEU HD1 . 10040 1 651 . 1 1 62 62 LEU HD21 H 1 0.873 0.030 . 1 . . . . 62 LEU HD2 . 10040 1 652 . 1 1 62 62 LEU HD22 H 1 0.873 0.030 . 1 . . . . 62 LEU HD2 . 10040 1 653 . 1 1 62 62 LEU HD23 H 1 0.873 0.030 . 1 . . . . 62 LEU HD2 . 10040 1 654 . 1 1 62 62 LEU C C 13 175.689 0.300 . 1 . . . . 62 LEU C . 10040 1 655 . 1 1 62 62 LEU CA C 13 53.950 0.300 . 1 . . . . 62 LEU CA . 10040 1 656 . 1 1 62 62 LEU CB C 13 46.950 0.300 . 1 . . . . 62 LEU CB . 10040 1 657 . 1 1 62 62 LEU CG C 13 26.705 0.300 . 1 . . . . 62 LEU CG . 10040 1 658 . 1 1 62 62 LEU CD1 C 13 24.567 0.300 . 1 . . . . 62 LEU CD1 . 10040 1 659 . 1 1 62 62 LEU CD2 C 13 24.567 0.300 . 1 . . . . 62 LEU CD2 . 10040 1 660 . 1 1 62 62 LEU N N 15 116.914 0.300 . 1 . . . . 62 LEU N . 10040 1 661 . 1 1 63 63 GLU H H 1 8.446 0.030 . 1 . . . . 63 GLU H . 10040 1 662 . 1 1 63 63 GLU HA H 1 5.206 0.030 . 1 . . . . 63 GLU HA . 10040 1 663 . 1 1 63 63 GLU HB2 H 1 1.845 0.030 . 1 . . . . 63 GLU HB2 . 10040 1 664 . 1 1 63 63 GLU HB3 H 1 1.845 0.030 . 1 . . . . 63 GLU HB3 . 10040 1 665 . 1 1 63 63 GLU HG2 H 1 2.130 0.030 . 1 . . . . 63 GLU HG2 . 10040 1 666 . 1 1 63 63 GLU HG3 H 1 2.130 0.030 . 1 . . . . 63 GLU HG3 . 10040 1 667 . 1 1 63 63 GLU C C 13 175.108 0.300 . 1 . . . . 63 GLU C . 10040 1 668 . 1 1 63 63 GLU CA C 13 54.953 0.300 . 1 . . . . 63 GLU CA . 10040 1 669 . 1 1 63 63 GLU CB C 13 33.136 0.300 . 1 . . . . 63 GLU CB . 10040 1 670 . 1 1 63 63 GLU CG C 13 36.060 0.300 . 1 . . . . 63 GLU CG . 10040 1 671 . 1 1 63 63 GLU N N 15 122.975 0.300 . 1 . . . . 63 GLU N . 10040 1 672 . 1 1 64 64 ARG H H 1 8.927 0.030 . 1 . . . . 64 ARG H . 10040 1 673 . 1 1 64 64 ARG HA H 1 4.675 0.030 . 1 . . . . 64 ARG HA . 10040 1 674 . 1 1 64 64 ARG HB2 H 1 1.674 0.030 . 2 . . . . 64 ARG HB2 . 10040 1 675 . 1 1 64 64 ARG HB3 H 1 2.089 0.030 . 2 . . . . 64 ARG HB3 . 10040 1 676 . 1 1 64 64 ARG HG2 H 1 1.699 0.030 . 2 . . . . 64 ARG HG2 . 10040 1 677 . 1 1 64 64 ARG HG3 H 1 1.649 0.030 . 2 . . . . 64 ARG HG3 . 10040 1 678 . 1 1 64 64 ARG HD2 H 1 3.068 0.030 . 2 . . . . 64 ARG HD2 . 10040 1 679 . 1 1 64 64 ARG HD3 H 1 3.485 0.030 . 2 . . . . 64 ARG HD3 . 10040 1 680 . 1 1 64 64 ARG HE H 1 7.923 0.030 . 1 . . . . 64 ARG HE . 10040 1 681 . 1 1 64 64 ARG C C 13 175.023 0.300 . 1 . . . . 64 ARG C . 10040 1 682 . 1 1 64 64 ARG CA C 13 55.516 0.300 . 1 . . . . 64 ARG CA . 10040 1 683 . 1 1 64 64 ARG CB C 13 34.575 0.300 . 1 . . . . 64 ARG CB . 10040 1 684 . 1 1 64 64 ARG CG C 13 27.609 0.300 . 1 . . . . 64 ARG CG . 10040 1 685 . 1 1 64 64 ARG CD C 13 43.034 0.300 . 1 . . . . 64 ARG CD . 10040 1 686 . 1 1 64 64 ARG N N 15 123.132 0.300 . 1 . . . . 64 ARG N . 10040 1 687 . 1 1 64 64 ARG NE N 15 121.403 0.300 . 1 . . . . 64 ARG NE . 10040 1 688 . 1 1 65 65 GLY H H 1 9.179 0.030 . 1 . . . . 65 GLY H . 10040 1 689 . 1 1 65 65 GLY HA2 H 1 4.423 0.030 . 2 . . . . 65 GLY HA2 . 10040 1 690 . 1 1 65 65 GLY HA3 H 1 3.678 0.030 . 2 . . . . 65 GLY HA3 . 10040 1 691 . 1 1 65 65 GLY C C 13 173.048 0.300 . 1 . . . . 65 GLY C . 10040 1 692 . 1 1 65 65 GLY CA C 13 46.069 0.300 . 1 . . . . 65 GLY CA . 10040 1 693 . 1 1 65 65 GLY N N 15 116.080 0.300 . 1 . . . . 65 GLY N . 10040 1 694 . 1 1 66 66 LEU H H 1 8.639 0.030 . 1 . . . . 66 LEU H . 10040 1 695 . 1 1 66 66 LEU HA H 1 4.512 0.030 . 1 . . . . 66 LEU HA . 10040 1 696 . 1 1 66 66 LEU HB2 H 1 1.634 0.030 . 2 . . . . 66 LEU HB2 . 10040 1 697 . 1 1 66 66 LEU HB3 H 1 1.457 0.030 . 2 . . . . 66 LEU HB3 . 10040 1 698 . 1 1 66 66 LEU HG H 1 1.957 0.030 . 1 . . . . 66 LEU HG . 10040 1 699 . 1 1 66 66 LEU HD11 H 1 0.907 0.030 . 1 . . . . 66 LEU HD1 . 10040 1 700 . 1 1 66 66 LEU HD12 H 1 0.907 0.030 . 1 . . . . 66 LEU HD1 . 10040 1 701 . 1 1 66 66 LEU HD13 H 1 0.907 0.030 . 1 . . . . 66 LEU HD1 . 10040 1 702 . 1 1 66 66 LEU HD21 H 1 1.160 0.030 . 1 . . . . 66 LEU HD2 . 10040 1 703 . 1 1 66 66 LEU HD22 H 1 1.160 0.030 . 1 . . . . 66 LEU HD2 . 10040 1 704 . 1 1 66 66 LEU HD23 H 1 1.160 0.030 . 1 . . . . 66 LEU HD2 . 10040 1 705 . 1 1 66 66 LEU C C 13 178.839 0.300 . 1 . . . . 66 LEU C . 10040 1 706 . 1 1 66 66 LEU CA C 13 56.413 0.300 . 1 . . . . 66 LEU CA . 10040 1 707 . 1 1 66 66 LEU CB C 13 41.646 0.300 . 1 . . . . 66 LEU CB . 10040 1 708 . 1 1 66 66 LEU CG C 13 31.227 0.300 . 1 . . . . 66 LEU CG . 10040 1 709 . 1 1 66 66 LEU CD1 C 13 26.984 0.300 . 2 . . . . 66 LEU CD1 . 10040 1 710 . 1 1 66 66 LEU CD2 C 13 25.389 0.300 . 2 . . . . 66 LEU CD2 . 10040 1 711 . 1 1 66 66 LEU N N 15 127.372 0.300 . 1 . . . . 66 LEU N . 10040 1 712 . 1 1 67 67 GLU H H 1 9.601 0.030 . 1 . . . . 67 GLU H . 10040 1 713 . 1 1 67 67 GLU HA H 1 4.394 0.030 . 1 . . . . 67 GLU HA . 10040 1 714 . 1 1 67 67 GLU HB2 H 1 2.278 0.030 . 2 . . . . 67 GLU HB2 . 10040 1 715 . 1 1 67 67 GLU HB3 H 1 1.762 0.030 . 2 . . . . 67 GLU HB3 . 10040 1 716 . 1 1 67 67 GLU HG2 H 1 2.540 0.030 . 2 . . . . 67 GLU HG2 . 10040 1 717 . 1 1 67 67 GLU HG3 H 1 2.386 0.030 . 2 . . . . 67 GLU HG3 . 10040 1 718 . 1 1 67 67 GLU C C 13 177.942 0.300 . 1 . . . . 67 GLU C . 10040 1 719 . 1 1 67 67 GLU CA C 13 56.096 0.300 . 1 . . . . 67 GLU CA . 10040 1 720 . 1 1 67 67 GLU CB C 13 30.916 0.300 . 1 . . . . 67 GLU CB . 10040 1 721 . 1 1 67 67 GLU CG C 13 37.229 0.300 . 1 . . . . 67 GLU CG . 10040 1 722 . 1 1 67 67 GLU N N 15 123.451 0.300 . 1 . . . . 67 GLU N . 10040 1 723 . 1 1 68 68 ASP H H 1 8.755 0.030 . 1 . . . . 68 ASP H . 10040 1 724 . 1 1 68 68 ASP HA H 1 4.234 0.030 . 1 . . . . 68 ASP HA . 10040 1 725 . 1 1 68 68 ASP HB2 H 1 2.826 0.030 . 2 . . . . 68 ASP HB2 . 10040 1 726 . 1 1 68 68 ASP HB3 H 1 2.645 0.030 . 2 . . . . 68 ASP HB3 . 10040 1 727 . 1 1 68 68 ASP C C 13 176.404 0.300 . 1 . . . . 68 ASP C . 10040 1 728 . 1 1 68 68 ASP CA C 13 57.627 0.300 . 1 . . . . 68 ASP CA . 10040 1 729 . 1 1 68 68 ASP CB C 13 41.770 0.300 . 1 . . . . 68 ASP CB . 10040 1 730 . 1 1 68 68 ASP N N 15 119.058 0.300 . 1 . . . . 68 ASP N . 10040 1 731 . 1 1 69 69 HIS H H 1 7.452 0.030 . 1 . . . . 69 HIS H . 10040 1 732 . 1 1 69 69 HIS HA H 1 4.585 0.030 . 1 . . . . 69 HIS HA . 10040 1 733 . 1 1 69 69 HIS HB2 H 1 3.382 0.030 . 2 . . . . 69 HIS HB2 . 10040 1 734 . 1 1 69 69 HIS HB3 H 1 3.018 0.030 . 2 . . . . 69 HIS HB3 . 10040 1 735 . 1 1 69 69 HIS HD2 H 1 7.030 0.030 . 1 . . . . 69 HIS HD2 . 10040 1 736 . 1 1 69 69 HIS HE1 H 1 7.893 0.030 . 1 . . . . 69 HIS HE1 . 10040 1 737 . 1 1 69 69 HIS C C 13 175.738 0.300 . 1 . . . . 69 HIS C . 10040 1 738 . 1 1 69 69 HIS CA C 13 56.131 0.300 . 1 . . . . 69 HIS CA . 10040 1 739 . 1 1 69 69 HIS CB C 13 30.957 0.300 . 1 . . . . 69 HIS CB . 10040 1 740 . 1 1 69 69 HIS CD2 C 13 118.219 0.300 . 1 . . . . 69 HIS CD2 . 10040 1 741 . 1 1 69 69 HIS CE1 C 13 139.449 0.300 . 1 . . . . 69 HIS CE1 . 10040 1 742 . 1 1 69 69 HIS N N 15 109.372 0.300 . 1 . . . . 69 HIS N . 10040 1 743 . 1 1 70 70 GLU H H 1 7.347 0.030 . 1 . . . . 70 GLU H . 10040 1 744 . 1 1 70 70 GLU HA H 1 3.849 0.030 . 1 . . . . 70 GLU HA . 10040 1 745 . 1 1 70 70 GLU HB2 H 1 1.951 0.030 . 2 . . . . 70 GLU HB2 . 10040 1 746 . 1 1 70 70 GLU HB3 H 1 1.811 0.030 . 2 . . . . 70 GLU HB3 . 10040 1 747 . 1 1 70 70 GLU HG2 H 1 1.941 0.030 . 2 . . . . 70 GLU HG2 . 10040 1 748 . 1 1 70 70 GLU HG3 H 1 1.905 0.030 . 2 . . . . 70 GLU HG3 . 10040 1 749 . 1 1 70 70 GLU C C 13 176.343 0.300 . 1 . . . . 70 GLU C . 10040 1 750 . 1 1 70 70 GLU CA C 13 58.576 0.300 . 1 . . . . 70 GLU CA . 10040 1 751 . 1 1 70 70 GLU CB C 13 30.958 0.300 . 1 . . . . 70 GLU CB . 10040 1 752 . 1 1 70 70 GLU CG C 13 38.770 0.300 . 1 . . . . 70 GLU CG . 10040 1 753 . 1 1 70 70 GLU N N 15 121.026 0.300 . 1 . . . . 70 GLU N . 10040 1 754 . 1 1 71 71 SER H H 1 8.828 0.030 . 1 . . . . 71 SER H . 10040 1 755 . 1 1 71 71 SER HA H 1 4.676 0.030 . 1 . . . . 71 SER HA . 10040 1 756 . 1 1 71 71 SER HB2 H 1 4.029 0.030 . 2 . . . . 71 SER HB2 . 10040 1 757 . 1 1 71 71 SER HB3 H 1 3.914 0.030 . 2 . . . . 71 SER HB3 . 10040 1 758 . 1 1 71 71 SER C C 13 175.737 0.300 . 1 . . . . 71 SER C . 10040 1 759 . 1 1 71 71 SER CA C 13 56.413 0.300 . 1 . . . . 71 SER CA . 10040 1 760 . 1 1 71 71 SER CB C 13 62.607 0.300 . 1 . . . . 71 SER CB . 10040 1 761 . 1 1 71 71 SER N N 15 115.812 0.300 . 1 . . . . 71 SER N . 10040 1 762 . 1 1 72 72 VAL H H 1 7.388 0.030 . 1 . . . . 72 VAL H . 10040 1 763 . 1 1 72 72 VAL HA H 1 3.539 0.030 . 1 . . . . 72 VAL HA . 10040 1 764 . 1 1 72 72 VAL HB H 1 1.784 0.030 . 1 . . . . 72 VAL HB . 10040 1 765 . 1 1 72 72 VAL HG11 H 1 0.490 0.030 . 1 . . . . 72 VAL HG1 . 10040 1 766 . 1 1 72 72 VAL HG12 H 1 0.490 0.030 . 1 . . . . 72 VAL HG1 . 10040 1 767 . 1 1 72 72 VAL HG13 H 1 0.490 0.030 . 1 . . . . 72 VAL HG1 . 10040 1 768 . 1 1 72 72 VAL HG21 H 1 0.690 0.030 . 1 . . . . 72 VAL HG2 . 10040 1 769 . 1 1 72 72 VAL HG22 H 1 0.690 0.030 . 1 . . . . 72 VAL HG2 . 10040 1 770 . 1 1 72 72 VAL HG23 H 1 0.690 0.030 . 1 . . . . 72 VAL HG2 . 10040 1 771 . 1 1 72 72 VAL C C 13 176.852 0.300 . 1 . . . . 72 VAL C . 10040 1 772 . 1 1 72 72 VAL CA C 13 66.141 0.300 . 1 . . . . 72 VAL CA . 10040 1 773 . 1 1 72 72 VAL CB C 13 30.999 0.300 . 1 . . . . 72 VAL CB . 10040 1 774 . 1 1 72 72 VAL CG1 C 13 21.854 0.300 . 2 . . . . 72 VAL CG1 . 10040 1 775 . 1 1 72 72 VAL CG2 C 13 20.620 0.300 . 2 . . . . 72 VAL CG2 . 10040 1 776 . 1 1 72 72 VAL N N 15 125.546 0.300 . 1 . . . . 72 VAL N . 10040 1 777 . 1 1 73 73 VAL H H 1 8.700 0.030 . 1 . . . . 73 VAL H . 10040 1 778 . 1 1 73 73 VAL HA H 1 3.350 0.030 . 1 . . . . 73 VAL HA . 10040 1 779 . 1 1 73 73 VAL HB H 1 1.741 0.030 . 1 . . . . 73 VAL HB . 10040 1 780 . 1 1 73 73 VAL HG11 H 1 0.431 0.030 . 1 . . . . 73 VAL HG1 . 10040 1 781 . 1 1 73 73 VAL HG12 H 1 0.431 0.030 . 1 . . . . 73 VAL HG1 . 10040 1 782 . 1 1 73 73 VAL HG13 H 1 0.431 0.030 . 1 . . . . 73 VAL HG1 . 10040 1 783 . 1 1 73 73 VAL HG21 H 1 0.575 0.030 . 1 . . . . 73 VAL HG2 . 10040 1 784 . 1 1 73 73 VAL HG22 H 1 0.575 0.030 . 1 . . . . 73 VAL HG2 . 10040 1 785 . 1 1 73 73 VAL HG23 H 1 0.575 0.030 . 1 . . . . 73 VAL HG2 . 10040 1 786 . 1 1 73 73 VAL C C 13 178.064 0.300 . 1 . . . . 73 VAL C . 10040 1 787 . 1 1 73 73 VAL CA C 13 66.404 0.300 . 1 . . . . 73 VAL CA . 10040 1 788 . 1 1 73 73 VAL CB C 13 31.204 0.300 . 1 . . . . 73 VAL CB . 10040 1 789 . 1 1 73 73 VAL CG1 C 13 20.374 0.300 . 2 . . . . 73 VAL CG1 . 10040 1 790 . 1 1 73 73 VAL CG2 C 13 23.251 0.300 . 2 . . . . 73 VAL CG2 . 10040 1 791 . 1 1 73 73 VAL N N 15 120.250 0.300 . 1 . . . . 73 VAL N . 10040 1 792 . 1 1 74 74 GLU H H 1 7.447 0.030 . 1 . . . . 74 GLU H . 10040 1 793 . 1 1 74 74 GLU HA H 1 3.935 0.030 . 1 . . . . 74 GLU HA . 10040 1 794 . 1 1 74 74 GLU HB2 H 1 2.125 0.030 . 2 . . . . 74 GLU HB2 . 10040 1 795 . 1 1 74 74 GLU HB3 H 1 2.021 0.030 . 2 . . . . 74 GLU HB3 . 10040 1 796 . 1 1 74 74 GLU HG2 H 1 2.356 0.030 . 2 . . . . 74 GLU HG2 . 10040 1 797 . 1 1 74 74 GLU HG3 H 1 2.245 0.030 . 2 . . . . 74 GLU HG3 . 10040 1 798 . 1 1 74 74 GLU C C 13 179.626 0.300 . 1 . . . . 74 GLU C . 10040 1 799 . 1 1 74 74 GLU CA C 13 59.122 0.300 . 1 . . . . 74 GLU CA . 10040 1 800 . 1 1 74 74 GLU CB C 13 29.742 0.300 . 1 . . . . 74 GLU CB . 10040 1 801 . 1 1 74 74 GLU CG C 13 36.571 0.300 . 1 . . . . 74 GLU CG . 10040 1 802 . 1 1 74 74 GLU N N 15 120.142 0.300 . 1 . . . . 74 GLU N . 10040 1 803 . 1 1 75 75 VAL H H 1 7.960 0.030 . 1 . . . . 75 VAL H . 10040 1 804 . 1 1 75 75 VAL HA H 1 3.672 0.030 . 1 . . . . 75 VAL HA . 10040 1 805 . 1 1 75 75 VAL HB H 1 2.224 0.030 . 1 . . . . 75 VAL HB . 10040 1 806 . 1 1 75 75 VAL HG11 H 1 1.157 0.030 . 1 . . . . 75 VAL HG1 . 10040 1 807 . 1 1 75 75 VAL HG12 H 1 1.157 0.030 . 1 . . . . 75 VAL HG1 . 10040 1 808 . 1 1 75 75 VAL HG13 H 1 1.157 0.030 . 1 . . . . 75 VAL HG1 . 10040 1 809 . 1 1 75 75 VAL HG21 H 1 1.168 0.030 . 1 . . . . 75 VAL HG2 . 10040 1 810 . 1 1 75 75 VAL HG22 H 1 1.168 0.030 . 1 . . . . 75 VAL HG2 . 10040 1 811 . 1 1 75 75 VAL HG23 H 1 1.168 0.030 . 1 . . . . 75 VAL HG2 . 10040 1 812 . 1 1 75 75 VAL C C 13 178.136 0.300 . 1 . . . . 75 VAL C . 10040 1 813 . 1 1 75 75 VAL CA C 13 66.650 0.300 . 1 . . . . 75 VAL CA . 10040 1 814 . 1 1 75 75 VAL CB C 13 32.150 0.300 . 1 . . . . 75 VAL CB . 10040 1 815 . 1 1 75 75 VAL CG1 C 13 22.429 0.300 . 2 . . . . 75 VAL CG1 . 10040 1 816 . 1 1 75 75 VAL CG2 C 13 23.724 0.300 . 2 . . . . 75 VAL CG2 . 10040 1 817 . 1 1 75 75 VAL N N 15 120.209 0.300 . 1 . . . . 75 VAL N . 10040 1 818 . 1 1 76 76 GLN H H 1 7.617 0.030 . 1 . . . . 76 GLN H . 10040 1 819 . 1 1 76 76 GLN HA H 1 1.771 0.030 . 1 . . . . 76 GLN HA . 10040 1 820 . 1 1 76 76 GLN HB2 H 1 1.478 0.030 . 2 . . . . 76 GLN HB2 . 10040 1 821 . 1 1 76 76 GLN HB3 H 1 1.351 0.030 . 2 . . . . 76 GLN HB3 . 10040 1 822 . 1 1 76 76 GLN HG2 H 1 1.843 0.030 . 2 . . . . 76 GLN HG2 . 10040 1 823 . 1 1 76 76 GLN HG3 H 1 1.550 0.030 . 2 . . . . 76 GLN HG3 . 10040 1 824 . 1 1 76 76 GLN HE21 H 1 7.079 0.030 . 2 . . . . 76 GLN HE21 . 10040 1 825 . 1 1 76 76 GLN HE22 H 1 6.838 0.030 . 2 . . . . 76 GLN HE22 . 10040 1 826 . 1 1 76 76 GLN C C 13 178.318 0.300 . 1 . . . . 76 GLN C . 10040 1 827 . 1 1 76 76 GLN CA C 13 56.835 0.300 . 1 . . . . 76 GLN CA . 10040 1 828 . 1 1 76 76 GLN CB C 13 27.668 0.300 . 1 . . . . 76 GLN CB . 10040 1 829 . 1 1 76 76 GLN CG C 13 33.200 0.300 . 1 . . . . 76 GLN CG . 10040 1 830 . 1 1 76 76 GLN N N 15 116.938 0.300 . 1 . . . . 76 GLN N . 10040 1 831 . 1 1 76 76 GLN NE2 N 15 109.108 0.300 . 1 . . . . 76 GLN NE2 . 10040 1 832 . 1 1 77 77 ALA H H 1 7.817 0.030 . 1 . . . . 77 ALA H . 10040 1 833 . 1 1 77 77 ALA HA H 1 4.053 0.030 . 1 . . . . 77 ALA HA . 10040 1 834 . 1 1 77 77 ALA HB1 H 1 1.454 0.030 . 1 . . . . 77 ALA HB . 10040 1 835 . 1 1 77 77 ALA HB2 H 1 1.454 0.030 . 1 . . . . 77 ALA HB . 10040 1 836 . 1 1 77 77 ALA HB3 H 1 1.454 0.030 . 1 . . . . 77 ALA HB . 10040 1 837 . 1 1 77 77 ALA C C 13 178.148 0.300 . 1 . . . . 77 ALA C . 10040 1 838 . 1 1 77 77 ALA CA C 13 54.073 0.300 . 1 . . . . 77 ALA CA . 10040 1 839 . 1 1 77 77 ALA CB C 13 18.089 0.300 . 1 . . . . 77 ALA CB . 10040 1 840 . 1 1 77 77 ALA N N 15 122.083 0.300 . 1 . . . . 77 ALA N . 10040 1 841 . 1 1 78 78 ALA H H 1 6.998 0.030 . 1 . . . . 78 ALA H . 10040 1 842 . 1 1 78 78 ALA HA H 1 4.480 0.030 . 1 . . . . 78 ALA HA . 10040 1 843 . 1 1 78 78 ALA HB1 H 1 1.562 0.030 . 1 . . . . 78 ALA HB . 10040 1 844 . 1 1 78 78 ALA HB2 H 1 1.562 0.030 . 1 . . . . 78 ALA HB . 10040 1 845 . 1 1 78 78 ALA HB3 H 1 1.562 0.030 . 1 . . . . 78 ALA HB . 10040 1 846 . 1 1 78 78 ALA C C 13 177.991 0.300 . 1 . . . . 78 ALA C . 10040 1 847 . 1 1 78 78 ALA CA C 13 51.611 0.300 . 1 . . . . 78 ALA CA . 10040 1 848 . 1 1 78 78 ALA CB C 13 19.210 0.300 . 1 . . . . 78 ALA CB . 10040 1 849 . 1 1 78 78 ALA N N 15 117.614 0.300 . 1 . . . . 78 ALA N . 10040 1 850 . 1 1 79 79 TRP H H 1 7.566 0.030 . 1 . . . . 79 TRP H . 10040 1 851 . 1 1 79 79 TRP HA H 1 5.038 0.030 . 1 . . . . 79 TRP HA . 10040 1 852 . 1 1 79 79 TRP HB2 H 1 3.447 0.030 . 2 . . . . 79 TRP HB2 . 10040 1 853 . 1 1 79 79 TRP HB3 H 1 3.270 0.030 . 2 . . . . 79 TRP HB3 . 10040 1 854 . 1 1 79 79 TRP HD1 H 1 7.257 0.030 . 1 . . . . 79 TRP HD1 . 10040 1 855 . 1 1 79 79 TRP HE1 H 1 10.021 0.030 . 1 . . . . 79 TRP HE1 . 10040 1 856 . 1 1 79 79 TRP HE3 H 1 7.523 0.030 . 1 . . . . 79 TRP HE3 . 10040 1 857 . 1 1 79 79 TRP HZ2 H 1 5.833 0.030 . 1 . . . . 79 TRP HZ2 . 10040 1 858 . 1 1 79 79 TRP HZ3 H 1 6.894 0.030 . 1 . . . . 79 TRP HZ3 . 10040 1 859 . 1 1 79 79 TRP HH2 H 1 6.316 0.030 . 1 . . . . 79 TRP HH2 . 10040 1 860 . 1 1 79 79 TRP C C 13 174.987 0.300 . 1 . . . . 79 TRP C . 10040 1 861 . 1 1 79 79 TRP CA C 13 53.915 0.300 . 1 . . . . 79 TRP CA . 10040 1 862 . 1 1 79 79 TRP CB C 13 28.221 0.300 . 1 . . . . 79 TRP CB . 10040 1 863 . 1 1 79 79 TRP CD1 C 13 124.148 0.300 . 1 . . . . 79 TRP CD1 . 10040 1 864 . 1 1 79 79 TRP CE3 C 13 121.298 0.300 . 1 . . . . 79 TRP CE3 . 10040 1 865 . 1 1 79 79 TRP CZ2 C 13 112.805 0.300 . 1 . . . . 79 TRP CZ2 . 10040 1 866 . 1 1 79 79 TRP CZ3 C 13 121.225 0.300 . 1 . . . . 79 TRP CZ3 . 10040 1 867 . 1 1 79 79 TRP CH2 C 13 124.970 0.300 . 1 . . . . 79 TRP CH2 . 10040 1 868 . 1 1 79 79 TRP N N 15 121.958 0.300 . 1 . . . . 79 TRP N . 10040 1 869 . 1 1 79 79 TRP NE1 N 15 126.313 0.300 . 1 . . . . 79 TRP NE1 . 10040 1 870 . 1 1 80 80 PRO HA H 1 4.587 0.030 . 1 . . . . 80 PRO HA . 10040 1 871 . 1 1 80 80 PRO HB2 H 1 2.300 0.030 . 2 . . . . 80 PRO HB2 . 10040 1 872 . 1 1 80 80 PRO HB3 H 1 1.863 0.030 . 2 . . . . 80 PRO HB3 . 10040 1 873 . 1 1 80 80 PRO HG2 H 1 1.959 0.030 . 1 . . . . 80 PRO HG2 . 10040 1 874 . 1 1 80 80 PRO HG3 H 1 1.959 0.030 . 1 . . . . 80 PRO HG3 . 10040 1 875 . 1 1 80 80 PRO HD2 H 1 3.661 0.030 . 2 . . . . 80 PRO HD2 . 10040 1 876 . 1 1 80 80 PRO HD3 H 1 3.935 0.030 . 2 . . . . 80 PRO HD3 . 10040 1 877 . 1 1 80 80 PRO C C 13 177.918 0.300 . 1 . . . . 80 PRO C . 10040 1 878 . 1 1 80 80 PRO CA C 13 62.605 0.300 . 1 . . . . 80 PRO CA . 10040 1 879 . 1 1 80 80 PRO CB C 13 31.885 0.300 . 1 . . . . 80 PRO CB . 10040 1 880 . 1 1 80 80 PRO CG C 13 27.736 0.300 . 1 . . . . 80 PRO CG . 10040 1 881 . 1 1 80 80 PRO CD C 13 50.303 0.300 . 1 . . . . 80 PRO CD . 10040 1 882 . 1 1 81 81 VAL H H 1 8.702 0.030 . 1 . . . . 81 VAL H . 10040 1 883 . 1 1 81 81 VAL HA H 1 3.997 0.030 . 1 . . . . 81 VAL HA . 10040 1 884 . 1 1 81 81 VAL HB H 1 2.070 0.030 . 1 . . . . 81 VAL HB . 10040 1 885 . 1 1 81 81 VAL HG11 H 1 1.129 0.030 . 1 . . . . 81 VAL HG1 . 10040 1 886 . 1 1 81 81 VAL HG12 H 1 1.129 0.030 . 1 . . . . 81 VAL HG1 . 10040 1 887 . 1 1 81 81 VAL HG13 H 1 1.129 0.030 . 1 . . . . 81 VAL HG1 . 10040 1 888 . 1 1 81 81 VAL HG21 H 1 1.025 0.030 . 1 . . . . 81 VAL HG2 . 10040 1 889 . 1 1 81 81 VAL HG22 H 1 1.025 0.030 . 1 . . . . 81 VAL HG2 . 10040 1 890 . 1 1 81 81 VAL HG23 H 1 1.025 0.030 . 1 . . . . 81 VAL HG2 . 10040 1 891 . 1 1 81 81 VAL C C 13 178.076 0.300 . 1 . . . . 81 VAL C . 10040 1 892 . 1 1 81 81 VAL CA C 13 64.047 0.300 . 1 . . . . 81 VAL CA . 10040 1 893 . 1 1 81 81 VAL CB C 13 31.748 0.300 . 1 . . . . 81 VAL CB . 10040 1 894 . 1 1 81 81 VAL CG1 C 13 21.467 0.300 . 2 . . . . 81 VAL CG1 . 10040 1 895 . 1 1 81 81 VAL CG2 C 13 20.965 0.300 . 2 . . . . 81 VAL CG2 . 10040 1 896 . 1 1 81 81 VAL N N 15 124.976 0.300 . 1 . . . . 81 VAL N . 10040 1 897 . 1 1 82 82 GLY H H 1 9.038 0.030 . 1 . . . . 82 GLY H . 10040 1 898 . 1 1 82 82 GLY HA2 H 1 4.172 0.030 . 2 . . . . 82 GLY HA2 . 10040 1 899 . 1 1 82 82 GLY HA3 H 1 3.885 0.030 . 2 . . . . 82 GLY HA3 . 10040 1 900 . 1 1 82 82 GLY C C 13 174.962 0.300 . 1 . . . . 82 GLY C . 10040 1 901 . 1 1 82 82 GLY CA C 13 45.471 0.300 . 1 . . . . 82 GLY CA . 10040 1 902 . 1 1 82 82 GLY N N 15 114.910 0.300 . 1 . . . . 82 GLY N . 10040 1 903 . 1 1 83 83 GLY H H 1 7.686 0.030 . 1 . . . . 83 GLY H . 10040 1 904 . 1 1 83 83 GLY HA2 H 1 4.195 0.030 . 2 . . . . 83 GLY HA2 . 10040 1 905 . 1 1 83 83 GLY HA3 H 1 3.598 0.030 . 2 . . . . 83 GLY HA3 . 10040 1 906 . 1 1 83 83 GLY C C 13 173.872 0.300 . 1 . . . . 83 GLY C . 10040 1 907 . 1 1 83 83 GLY CA C 13 44.926 0.300 . 1 . . . . 83 GLY CA . 10040 1 908 . 1 1 83 83 GLY N N 15 106.922 0.300 . 1 . . . . 83 GLY N . 10040 1 909 . 1 1 84 84 ASP H H 1 8.251 0.030 . 1 . . . . 84 ASP H . 10040 1 910 . 1 1 84 84 ASP HA H 1 4.712 0.030 . 1 . . . . 84 ASP HA . 10040 1 911 . 1 1 84 84 ASP HB2 H 1 2.711 0.030 . 2 . . . . 84 ASP HB2 . 10040 1 912 . 1 1 84 84 ASP HB3 H 1 2.533 0.030 . 2 . . . . 84 ASP HB3 . 10040 1 913 . 1 1 84 84 ASP C C 13 175.544 0.300 . 1 . . . . 84 ASP C . 10040 1 914 . 1 1 84 84 ASP CA C 13 53.668 0.300 . 1 . . . . 84 ASP CA . 10040 1 915 . 1 1 84 84 ASP CB C 13 41.027 0.300 . 1 . . . . 84 ASP CB . 10040 1 916 . 1 1 84 84 ASP N N 15 118.332 0.300 . 1 . . . . 84 ASP N . 10040 1 917 . 1 1 85 85 SER H H 1 7.343 0.030 . 1 . . . . 85 SER H . 10040 1 918 . 1 1 85 85 SER HA H 1 4.379 0.030 . 1 . . . . 85 SER HA . 10040 1 919 . 1 1 85 85 SER HB2 H 1 2.683 0.030 . 2 . . . . 85 SER HB2 . 10040 1 920 . 1 1 85 85 SER HB3 H 1 2.023 0.030 . 2 . . . . 85 SER HB3 . 10040 1 921 . 1 1 85 85 SER C C 13 172.757 0.300 . 1 . . . . 85 SER C . 10040 1 922 . 1 1 85 85 SER CA C 13 60.371 0.300 . 1 . . . . 85 SER CA . 10040 1 923 . 1 1 85 85 SER CB C 13 62.161 0.300 . 1 . . . . 85 SER CB . 10040 1 924 . 1 1 85 85 SER N N 15 115.712 0.300 . 1 . . . . 85 SER N . 10040 1 925 . 1 1 86 86 ARG H H 1 7.974 0.030 . 1 . . . . 86 ARG H . 10040 1 926 . 1 1 86 86 ARG HA H 1 4.725 0.030 . 1 . . . . 86 ARG HA . 10040 1 927 . 1 1 86 86 ARG HB2 H 1 1.796 0.030 . 1 . . . . 86 ARG HB2 . 10040 1 928 . 1 1 86 86 ARG HB3 H 1 1.796 0.030 . 1 . . . . 86 ARG HB3 . 10040 1 929 . 1 1 86 86 ARG HG2 H 1 1.238 0.030 . 2 . . . . 86 ARG HG2 . 10040 1 930 . 1 1 86 86 ARG HG3 H 1 1.148 0.030 . 2 . . . . 86 ARG HG3 . 10040 1 931 . 1 1 86 86 ARG HD2 H 1 2.575 0.030 . 2 . . . . 86 ARG HD2 . 10040 1 932 . 1 1 86 86 ARG HD3 H 1 2.334 0.030 . 2 . . . . 86 ARG HD3 . 10040 1 933 . 1 1 86 86 ARG HE H 1 6.472 0.030 . 1 . . . . 86 ARG HE . 10040 1 934 . 1 1 86 86 ARG C C 13 174.344 0.300 . 1 . . . . 86 ARG C . 10040 1 935 . 1 1 86 86 ARG CA C 13 55.058 0.300 . 1 . . . . 86 ARG CA . 10040 1 936 . 1 1 86 86 ARG CB C 13 32.248 0.300 . 1 . . . . 86 ARG CB . 10040 1 937 . 1 1 86 86 ARG CG C 13 24.727 0.300 . 1 . . . . 86 ARG CG . 10040 1 938 . 1 1 86 86 ARG CD C 13 42.783 0.300 . 1 . . . . 86 ARG CD . 10040 1 939 . 1 1 86 86 ARG N N 15 117.040 0.300 . 1 . . . . 86 ARG N . 10040 1 940 . 1 1 86 86 ARG NE N 15 121.680 0.300 . 1 . . . . 86 ARG NE . 10040 1 941 . 1 1 87 87 PHE H H 1 9.120 0.030 . 1 . . . . 87 PHE H . 10040 1 942 . 1 1 87 87 PHE HA H 1 6.022 0.030 . 1 . . . . 87 PHE HA . 10040 1 943 . 1 1 87 87 PHE HB2 H 1 3.575 0.030 . 2 . . . . 87 PHE HB2 . 10040 1 944 . 1 1 87 87 PHE HB3 H 1 3.144 0.030 . 2 . . . . 87 PHE HB3 . 10040 1 945 . 1 1 87 87 PHE HD1 H 1 7.471 0.030 . 1 . . . . 87 PHE HD1 . 10040 1 946 . 1 1 87 87 PHE HD2 H 1 7.471 0.030 . 1 . . . . 87 PHE HD2 . 10040 1 947 . 1 1 87 87 PHE HE1 H 1 7.352 0.030 . 1 . . . . 87 PHE HE1 . 10040 1 948 . 1 1 87 87 PHE HE2 H 1 7.352 0.030 . 1 . . . . 87 PHE HE2 . 10040 1 949 . 1 1 87 87 PHE HZ H 1 7.247 0.030 . 1 . . . . 87 PHE HZ . 10040 1 950 . 1 1 87 87 PHE C C 13 176.307 0.300 . 1 . . . . 87 PHE C . 10040 1 951 . 1 1 87 87 PHE CA C 13 56.993 0.300 . 1 . . . . 87 PHE CA . 10040 1 952 . 1 1 87 87 PHE CB C 13 42.140 0.300 . 1 . . . . 87 PHE CB . 10040 1 953 . 1 1 87 87 PHE CD1 C 13 131.357 0.300 . 1 . . . . 87 PHE CD1 . 10040 1 954 . 1 1 87 87 PHE CD2 C 13 131.357 0.300 . 1 . . . . 87 PHE CD2 . 10040 1 955 . 1 1 87 87 PHE CE1 C 13 132.095 0.300 . 1 . . . . 87 PHE CE1 . 10040 1 956 . 1 1 87 87 PHE CE2 C 13 132.095 0.300 . 1 . . . . 87 PHE CE2 . 10040 1 957 . 1 1 87 87 PHE CZ C 13 129.635 0.300 . 1 . . . . 87 PHE CZ . 10040 1 958 . 1 1 87 87 PHE N N 15 118.698 0.300 . 1 . . . . 87 PHE N . 10040 1 959 . 1 1 88 88 VAL H H 1 9.510 0.030 . 1 . . . . 88 VAL H . 10040 1 960 . 1 1 88 88 VAL HA H 1 5.272 0.030 . 1 . . . . 88 VAL HA . 10040 1 961 . 1 1 88 88 VAL HB H 1 1.793 0.030 . 1 . . . . 88 VAL HB . 10040 1 962 . 1 1 88 88 VAL HG11 H 1 0.862 0.030 . 1 . . . . 88 VAL HG1 . 10040 1 963 . 1 1 88 88 VAL HG12 H 1 0.862 0.030 . 1 . . . . 88 VAL HG1 . 10040 1 964 . 1 1 88 88 VAL HG13 H 1 0.862 0.030 . 1 . . . . 88 VAL HG1 . 10040 1 965 . 1 1 88 88 VAL HG21 H 1 0.888 0.030 . 1 . . . . 88 VAL HG2 . 10040 1 966 . 1 1 88 88 VAL HG22 H 1 0.888 0.030 . 1 . . . . 88 VAL HG2 . 10040 1 967 . 1 1 88 88 VAL HG23 H 1 0.888 0.030 . 1 . . . . 88 VAL HG2 . 10040 1 968 . 1 1 88 88 VAL C C 13 174.236 0.300 . 1 . . . . 88 VAL C . 10040 1 969 . 1 1 88 88 VAL CA C 13 60.054 0.300 . 1 . . . . 88 VAL CA . 10040 1 970 . 1 1 88 88 VAL CB C 13 35.644 0.300 . 1 . . . . 88 VAL CB . 10040 1 971 . 1 1 88 88 VAL CG1 C 13 21.031 0.300 . 2 . . . . 88 VAL CG1 . 10040 1 972 . 1 1 88 88 VAL CG2 C 13 22.347 0.300 . 2 . . . . 88 VAL CG2 . 10040 1 973 . 1 1 88 88 VAL N N 15 121.286 0.300 . 1 . . . . 88 VAL N . 10040 1 974 . 1 1 89 89 PHE H H 1 8.743 0.030 . 1 . . . . 89 PHE H . 10040 1 975 . 1 1 89 89 PHE HA H 1 5.640 0.030 . 1 . . . . 89 PHE HA . 10040 1 976 . 1 1 89 89 PHE HB2 H 1 2.789 0.030 . 2 . . . . 89 PHE HB2 . 10040 1 977 . 1 1 89 89 PHE HB3 H 1 3.030 0.030 . 2 . . . . 89 PHE HB3 . 10040 1 978 . 1 1 89 89 PHE HD1 H 1 7.107 0.030 . 1 . . . . 89 PHE HD1 . 10040 1 979 . 1 1 89 89 PHE HD2 H 1 7.107 0.030 . 1 . . . . 89 PHE HD2 . 10040 1 980 . 1 1 89 89 PHE HE1 H 1 6.856 0.030 . 1 . . . . 89 PHE HE1 . 10040 1 981 . 1 1 89 89 PHE HE2 H 1 6.856 0.030 . 1 . . . . 89 PHE HE2 . 10040 1 982 . 1 1 89 89 PHE HZ H 1 6.730 0.030 . 1 . . . . 89 PHE HZ . 10040 1 983 . 1 1 89 89 PHE C C 13 174.236 0.300 . 1 . . . . 89 PHE C . 10040 1 984 . 1 1 89 89 PHE CA C 13 55.058 0.300 . 1 . . . . 89 PHE CA . 10040 1 985 . 1 1 89 89 PHE CB C 13 41.278 0.300 . 1 . . . . 89 PHE CB . 10040 1 986 . 1 1 89 89 PHE CD1 C 13 131.530 0.300 . 1 . . . . 89 PHE CD1 . 10040 1 987 . 1 1 89 89 PHE CD2 C 13 131.530 0.300 . 1 . . . . 89 PHE CD2 . 10040 1 988 . 1 1 89 89 PHE CE1 C 13 131.466 0.300 . 1 . . . . 89 PHE CE1 . 10040 1 989 . 1 1 89 89 PHE CE2 C 13 131.466 0.300 . 1 . . . . 89 PHE CE2 . 10040 1 990 . 1 1 89 89 PHE CZ C 13 129.931 0.300 . 1 . . . . 89 PHE CZ . 10040 1 991 . 1 1 89 89 PHE N N 15 128.517 0.300 . 1 . . . . 89 PHE N . 10040 1 992 . 1 1 90 90 ARG H H 1 8.786 0.030 . 1 . . . . 90 ARG H . 10040 1 993 . 1 1 90 90 ARG HA H 1 4.603 0.030 . 1 . . . . 90 ARG HA . 10040 1 994 . 1 1 90 90 ARG HB2 H 1 1.624 0.030 . 2 . . . . 90 ARG HB2 . 10040 1 995 . 1 1 90 90 ARG HB3 H 1 1.559 0.030 . 2 . . . . 90 ARG HB3 . 10040 1 996 . 1 1 90 90 ARG HG2 H 1 1.423 0.030 . 2 . . . . 90 ARG HG2 . 10040 1 997 . 1 1 90 90 ARG HG3 H 1 1.360 0.030 . 2 . . . . 90 ARG HG3 . 10040 1 998 . 1 1 90 90 ARG HD2 H 1 2.949 0.030 . 2 . . . . 90 ARG HD2 . 10040 1 999 . 1 1 90 90 ARG HD3 H 1 3.013 0.030 . 2 . . . . 90 ARG HD3 . 10040 1 1000 . 1 1 90 90 ARG HE H 1 7.313 0.030 . 1 . . . . 90 ARG HE . 10040 1 1001 . 1 1 90 90 ARG C C 13 173.763 0.300 . 1 . . . . 90 ARG C . 10040 1 1002 . 1 1 90 90 ARG CA C 13 54.676 0.300 . 1 . . . . 90 ARG CA . 10040 1 1003 . 1 1 90 90 ARG CB C 13 34.082 0.300 . 1 . . . . 90 ARG CB . 10040 1 1004 . 1 1 90 90 ARG CG C 13 25.800 0.300 . 1 . . . . 90 ARG CG . 10040 1 1005 . 1 1 90 90 ARG CD C 13 43.725 0.300 . 1 . . . . 90 ARG CD . 10040 1 1006 . 1 1 90 90 ARG N N 15 124.548 0.300 . 1 . . . . 90 ARG N . 10040 1 1007 . 1 1 90 90 ARG NE N 15 104.261 0.300 . 1 . . . . 90 ARG NE . 10040 1 1008 . 1 1 91 91 LYS H H 1 7.758 0.030 . 1 . . . . 91 LYS H . 10040 1 1009 . 1 1 91 91 LYS HA H 1 3.441 0.030 . 1 . . . . 91 LYS HA . 10040 1 1010 . 1 1 91 91 LYS HB2 H 1 0.785 0.030 . 2 . . . . 91 LYS HB2 . 10040 1 1011 . 1 1 91 91 LYS HB3 H 1 0.503 0.030 . 2 . . . . 91 LYS HB3 . 10040 1 1012 . 1 1 91 91 LYS HG2 H 1 0.496 0.030 . 2 . . . . 91 LYS HG2 . 10040 1 1013 . 1 1 91 91 LYS HG3 H 1 0.360 0.030 . 2 . . . . 91 LYS HG3 . 10040 1 1014 . 1 1 91 91 LYS HD2 H 1 1.304 0.030 . 2 . . . . 91 LYS HD2 . 10040 1 1015 . 1 1 91 91 LYS HD3 H 1 1.248 0.030 . 2 . . . . 91 LYS HD3 . 10040 1 1016 . 1 1 91 91 LYS HE2 H 1 2.712 0.030 . 1 . . . . 91 LYS HE2 . 10040 1 1017 . 1 1 91 91 LYS HE3 H 1 2.712 0.030 . 1 . . . . 91 LYS HE3 . 10040 1 1018 . 1 1 91 91 LYS C C 13 175.895 0.300 . 1 . . . . 91 LYS C . 10040 1 1019 . 1 1 91 91 LYS CA C 13 55.973 0.300 . 1 . . . . 91 LYS CA . 10040 1 1020 . 1 1 91 91 LYS CB C 13 32.191 0.300 . 1 . . . . 91 LYS CB . 10040 1 1021 . 1 1 91 91 LYS CG C 13 23.909 0.300 . 1 . . . . 91 LYS CG . 10040 1 1022 . 1 1 91 91 LYS CD C 13 29.254 0.300 . 1 . . . . 91 LYS CD . 10040 1 1023 . 1 1 91 91 LYS CE C 13 42.031 0.300 . 1 . . . . 91 LYS CE . 10040 1 1024 . 1 1 91 91 LYS N N 15 123.904 0.300 . 1 . . . . 91 LYS N . 10040 1 1025 . 1 1 92 92 ASN H H 1 8.362 0.030 . 1 . . . . 92 ASN H . 10040 1 1026 . 1 1 92 92 ASN HA H 1 4.474 0.030 . 1 . . . . 92 ASN HA . 10040 1 1027 . 1 1 92 92 ASN HB2 H 1 2.648 0.030 . 2 . . . . 92 ASN HB2 . 10040 1 1028 . 1 1 92 92 ASN HB3 H 1 2.554 0.030 . 2 . . . . 92 ASN HB3 . 10040 1 1029 . 1 1 92 92 ASN HD21 H 1 7.414 0.030 . 2 . . . . 92 ASN HD21 . 10040 1 1030 . 1 1 92 92 ASN HD22 H 1 6.748 0.030 . 2 . . . . 92 ASN HD22 . 10040 1 1031 . 1 1 92 92 ASN C C 13 174.853 0.300 . 1 . . . . 92 ASN C . 10040 1 1032 . 1 1 92 92 ASN CA C 13 52.965 0.300 . 1 . . . . 92 ASN CA . 10040 1 1033 . 1 1 92 92 ASN CB C 13 38.563 0.300 . 1 . . . . 92 ASN CB . 10040 1 1034 . 1 1 92 92 ASN N N 15 122.129 0.300 . 1 . . . . 92 ASN N . 10040 1 1035 . 1 1 92 92 ASN ND2 N 15 111.960 0.300 . 1 . . . . 92 ASN ND2 . 10040 1 1036 . 1 1 93 93 PHE H H 1 8.155 0.030 . 1 . . . . 93 PHE H . 10040 1 1037 . 1 1 93 93 PHE HA H 1 4.430 0.030 . 1 . . . . 93 PHE HA . 10040 1 1038 . 1 1 93 93 PHE HB2 H 1 2.892 0.030 . 2 . . . . 93 PHE HB2 . 10040 1 1039 . 1 1 93 93 PHE HB3 H 1 2.981 0.030 . 2 . . . . 93 PHE HB3 . 10040 1 1040 . 1 1 93 93 PHE HD1 H 1 7.149 0.030 . 1 . . . . 93 PHE HD1 . 10040 1 1041 . 1 1 93 93 PHE HD2 H 1 7.149 0.030 . 1 . . . . 93 PHE HD2 . 10040 1 1042 . 1 1 93 93 PHE HE1 H 1 7.300 0.030 . 1 . . . . 93 PHE HE1 . 10040 1 1043 . 1 1 93 93 PHE HE2 H 1 7.300 0.030 . 1 . . . . 93 PHE HE2 . 10040 1 1044 . 1 1 93 93 PHE C C 13 175.156 0.300 . 1 . . . . 93 PHE C . 10040 1 1045 . 1 1 93 93 PHE CA C 13 58.043 0.300 . 1 . . . . 93 PHE CA . 10040 1 1046 . 1 1 93 93 PHE CB C 13 39.837 0.300 . 1 . . . . 93 PHE CB . 10040 1 1047 . 1 1 93 93 PHE CD1 C 13 131.799 0.300 . 1 . . . . 93 PHE CD1 . 10040 1 1048 . 1 1 93 93 PHE CD2 C 13 131.799 0.300 . 1 . . . . 93 PHE CD2 . 10040 1 1049 . 1 1 93 93 PHE CE1 C 13 131.543 0.300 . 1 . . . . 93 PHE CE1 . 10040 1 1050 . 1 1 93 93 PHE CE2 C 13 131.543 0.300 . 1 . . . . 93 PHE CE2 . 10040 1 1051 . 1 1 93 93 PHE N N 15 120.672 0.300 . 1 . . . . 93 PHE N . 10040 1 1052 . 1 1 94 94 ALA H H 1 8.096 0.030 . 1 . . . . 94 ALA H . 10040 1 1053 . 1 1 94 94 ALA HA H 1 4.285 0.030 . 1 . . . . 94 ALA HA . 10040 1 1054 . 1 1 94 94 ALA HB1 H 1 1.298 0.030 . 1 . . . . 94 ALA HB . 10040 1 1055 . 1 1 94 94 ALA HB2 H 1 1.298 0.030 . 1 . . . . 94 ALA HB . 10040 1 1056 . 1 1 94 94 ALA HB3 H 1 1.298 0.030 . 1 . . . . 94 ALA HB . 10040 1 1057 . 1 1 94 94 ALA C C 13 177.155 0.300 . 1 . . . . 94 ALA C . 10040 1 1058 . 1 1 94 94 ALA CA C 13 52.209 0.300 . 1 . . . . 94 ALA CA . 10040 1 1059 . 1 1 94 94 ALA CB C 13 19.460 0.300 . 1 . . . . 94 ALA CB . 10040 1 1060 . 1 1 94 94 ALA N N 15 126.065 0.300 . 1 . . . . 94 ALA N . 10040 1 1061 . 1 1 95 95 SER H H 1 8.165 0.030 . 1 . . . . 95 SER H . 10040 1 1062 . 1 1 95 95 SER HA H 1 4.406 0.030 . 1 . . . . 95 SER HA . 10040 1 1063 . 1 1 95 95 SER HB2 H 1 3.861 0.030 . 1 . . . . 95 SER HB2 . 10040 1 1064 . 1 1 95 95 SER HB3 H 1 3.861 0.030 . 1 . . . . 95 SER HB3 . 10040 1 1065 . 1 1 95 95 SER C C 13 174.623 0.300 . 1 . . . . 95 SER C . 10040 1 1066 . 1 1 95 95 SER CA C 13 58.277 0.300 . 1 . . . . 95 SER CA . 10040 1 1067 . 1 1 95 95 SER CB C 13 64.011 0.300 . 1 . . . . 95 SER CB . 10040 1 1068 . 1 1 95 95 SER N N 15 115.350 0.300 . 1 . . . . 95 SER N . 10040 1 1069 . 1 1 96 96 GLY H H 1 8.255 0.030 . 1 . . . . 96 GLY H . 10040 1 1070 . 1 1 96 96 GLY HA2 H 1 4.143 0.030 . 1 . . . . 96 GLY HA2 . 10040 1 1071 . 1 1 96 96 GLY HA3 H 1 4.143 0.030 . 1 . . . . 96 GLY HA3 . 10040 1 1072 . 1 1 96 96 GLY C C 13 171.813 0.300 . 1 . . . . 96 GLY C . 10040 1 1073 . 1 1 96 96 GLY CA C 13 44.627 0.300 . 1 . . . . 96 GLY CA . 10040 1 1074 . 1 1 96 96 GLY N N 15 110.444 0.300 . 1 . . . . 96 GLY N . 10040 1 1075 . 1 1 97 97 PRO HA H 1 4.500 0.030 . 1 . . . . 97 PRO HA . 10040 1 1076 . 1 1 97 97 PRO HB2 H 1 2.312 0.030 . 2 . . . . 97 PRO HB2 . 10040 1 1077 . 1 1 97 97 PRO HB3 H 1 1.987 0.030 . 2 . . . . 97 PRO HB3 . 10040 1 1078 . 1 1 97 97 PRO HG2 H 1 1.987 0.030 . 1 . . . . 97 PRO HG2 . 10040 1 1079 . 1 1 97 97 PRO HG3 H 1 1.987 0.030 . 1 . . . . 97 PRO HG3 . 10040 1 1080 . 1 1 97 97 PRO HD2 H 1 3.637 0.030 . 1 . . . . 97 PRO HD2 . 10040 1 1081 . 1 1 97 97 PRO HD3 H 1 3.637 0.030 . 1 . . . . 97 PRO HD3 . 10040 1 1082 . 1 1 97 97 PRO C C 13 177.440 0.300 . 1 . . . . 97 PRO C . 10040 1 1083 . 1 1 97 97 PRO CA C 13 63.203 0.300 . 1 . . . . 97 PRO CA . 10040 1 1084 . 1 1 97 97 PRO CB C 13 32.131 0.300 . 1 . . . . 97 PRO CB . 10040 1 1085 . 1 1 97 97 PRO CG C 13 27.034 0.300 . 1 . . . . 97 PRO CG . 10040 1 1086 . 1 1 97 97 PRO CD C 13 49.727 0.300 . 1 . . . . 97 PRO CD . 10040 1 1087 . 1 1 98 98 SER H H 1 8.543 0.030 . 1 . . . . 98 SER H . 10040 1 1088 . 1 1 98 98 SER HA H 1 4.479 0.030 . 1 . . . . 98 SER HA . 10040 1 1089 . 1 1 98 98 SER HB2 H 1 3.929 0.030 . 1 . . . . 98 SER HB2 . 10040 1 1090 . 1 1 98 98 SER HB3 H 1 3.929 0.030 . 1 . . . . 98 SER HB3 . 10040 1 1091 . 1 1 98 98 SER C C 13 174.721 0.300 . 1 . . . . 98 SER C . 10040 1 1092 . 1 1 98 98 SER CA C 13 58.783 0.300 . 1 . . . . 98 SER CA . 10040 1 1093 . 1 1 98 98 SER CB C 13 63.787 0.300 . 1 . . . . 98 SER CB . 10040 1 1094 . 1 1 98 98 SER N N 15 116.508 0.300 . 1 . . . . 98 SER N . 10040 1 1095 . 1 1 99 99 SER H H 1 8.351 0.030 . 1 . . . . 99 SER H . 10040 1 1096 . 1 1 99 99 SER N N 15 117.890 0.300 . 1 . . . . 99 SER N . 10040 1 stop_ save_