data_10240 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10240 _Entry.Title ; Solution structures of the SH3 domain of human Src substrate cortactin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-10-24 _Entry.Accession_date 2008-10-28 _Entry.Last_release_date 2009-11-03 _Entry.Original_release_date 2009-11-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Sato . . . 10240 2 N. Tochio . . . 10240 3 S. Koshiba . . . 10240 4 M. Inoue . . . 10240 5 T. Kigawa . . . 10240 6 S. Yokoyama . . . 10240 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10240 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10240 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 325 10240 '15N chemical shifts' 79 10240 '1H chemical shifts' 486 10240 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 . . 2009-11-03 2008-10-24 original author . 10240 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X69 'BMRB Entry Tracking System' 10240 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10240 _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 structures of the SH3 domain of human Src substrate cortactin' _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 M. Sato . . . 10240 1 2 N. Tochio . . . 10240 1 3 S. Koshiba . . . 10240 1 4 M. Inoue . . . 10240 1 5 T. Kigawa . . . 10240 1 6 S. Yokoyama . . . 10240 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10240 _Assembly.ID 1 _Assembly.Name 'cortactin isoform a' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'SH3 domain' 1 $entity_1 . . yes native no no . . . 10240 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 1X69 . . . . . . 10240 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10240 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 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 ; GSSGSSGTYDEYENDLGITA VALYDYQAAGDDEISFDPDD IITNIEMIDDGWWRGVCKGR YGLFPANYVELRQSGPSSG ; _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 79 _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 1X69 . "Solution Structures Of The Sh3 Domain Of Human Src Substrate Cortactin" . . . . . 100.00 79 100.00 100.00 1.38e-48 . . . . 10240 1 2 no PDB 2D1X . "The Crystal Structure Of The Cortactin-Sh3 Domain And Amap1- Peptide Complex" . . . . . 77.22 66 100.00 100.00 7.46e-36 . . . . 10240 1 3 no DBJ BAD96333 . "cortactin isoform a variant [Homo sapiens]" . . . . . 83.54 550 100.00 100.00 2.35e-35 . . . . 10240 1 4 no DBJ BAE02409 . "unnamed protein product [Macaca fascicularis]" . . . . . 84.81 234 97.01 98.51 1.45e-40 . . . . 10240 1 5 no DBJ BAF83786 . "unnamed protein product [Homo sapiens]" . . . . . 83.54 513 100.00 100.00 5.04e-39 . . . . 10240 1 6 no DBJ BAG52416 . "unnamed protein product [Homo sapiens]" . . . . . 84.81 234 98.51 98.51 2.15e-41 . . . . 10240 1 7 no DBJ BAG65370 . "unnamed protein product [Homo sapiens]" . . . . . 68.35 314 98.15 100.00 2.79e-30 . . . . 10240 1 8 no EMBL CAH93452 . "hypothetical protein [Pongo abelii]" . . . . . 83.54 513 100.00 100.00 5.14e-39 . . . . 10240 1 9 no GB AAA49031 . "p80/85 [Gallus gallus]" . . . . . 83.54 563 96.97 100.00 8.05e-35 . . . . 10240 1 10 no GB AAA58455 . "amplaxin [Homo sapiens]" . . . . . 83.54 550 98.48 98.48 1.45e-34 . . . . 10240 1 11 no GB AAB26248 . "EMS1 gene product [human, Peptide, 550 aa]" . . . . . 83.54 550 98.48 98.48 1.45e-34 . . . . 10240 1 12 no GB AAH08799 . "Cortactin [Homo sapiens]" . . . . . 83.54 513 100.00 100.00 5.04e-39 . . . . 10240 1 13 no GB AAH33889 . "CTTN protein [Homo sapiens]" . . . . . 68.35 634 98.15 100.00 1.19e-27 . . . . 10240 1 14 no REF NP_001068755 . "src substrate cortactin [Bos taurus]" . . . . . 84.81 538 97.01 100.00 9.87e-39 . . . . 10240 1 15 no REF NP_001127021 . "src substrate cortactin [Pongo abelii]" . . . . . 83.54 513 100.00 100.00 5.14e-39 . . . . 10240 1 16 no REF NP_001171669 . "src substrate cortactin isoform c [Homo sapiens]" . . . . . 68.35 634 98.15 100.00 1.19e-27 . . . . 10240 1 17 no REF NP_001253213 . "cortactin [Macaca mulatta]" . . . . . 83.54 513 98.48 100.00 2.50e-38 . . . . 10240 1 18 no REF NP_005222 . "src substrate cortactin isoform a [Homo sapiens]" . . . . . 83.54 550 100.00 100.00 2.35e-35 . . . . 10240 1 19 no SP Q01406 . "RecName: Full=Src substrate protein p85; AltName: Full=Cortactin; AltName: Full=p80" . . . . . 83.54 563 96.97 100.00 8.05e-35 . . . . 10240 1 20 no SP Q14247 . "RecName: Full=Src substrate cortactin; AltName: Full=Amplaxin; AltName: Full=Oncogene EMS1" . . . . . 83.54 550 100.00 100.00 2.35e-35 . . . . 10240 1 21 no TPG DAA13535 . "TPA: cortactin [Bos taurus]" . . . . . 84.81 538 97.01 100.00 9.87e-39 . . . . 10240 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 . 10240 1 2 . SER . 10240 1 3 . SER . 10240 1 4 . GLY . 10240 1 5 . SER . 10240 1 6 . SER . 10240 1 7 . GLY . 10240 1 8 . THR . 10240 1 9 . TYR . 10240 1 10 . ASP . 10240 1 11 . GLU . 10240 1 12 . TYR . 10240 1 13 . GLU . 10240 1 14 . ASN . 10240 1 15 . ASP . 10240 1 16 . LEU . 10240 1 17 . GLY . 10240 1 18 . ILE . 10240 1 19 . THR . 10240 1 20 . ALA . 10240 1 21 . VAL . 10240 1 22 . ALA . 10240 1 23 . LEU . 10240 1 24 . TYR . 10240 1 25 . ASP . 10240 1 26 . TYR . 10240 1 27 . GLN . 10240 1 28 . ALA . 10240 1 29 . ALA . 10240 1 30 . GLY . 10240 1 31 . ASP . 10240 1 32 . ASP . 10240 1 33 . GLU . 10240 1 34 . ILE . 10240 1 35 . SER . 10240 1 36 . PHE . 10240 1 37 . ASP . 10240 1 38 . PRO . 10240 1 39 . ASP . 10240 1 40 . ASP . 10240 1 41 . ILE . 10240 1 42 . ILE . 10240 1 43 . THR . 10240 1 44 . ASN . 10240 1 45 . ILE . 10240 1 46 . GLU . 10240 1 47 . MET . 10240 1 48 . ILE . 10240 1 49 . ASP . 10240 1 50 . ASP . 10240 1 51 . GLY . 10240 1 52 . TRP . 10240 1 53 . TRP . 10240 1 54 . ARG . 10240 1 55 . GLY . 10240 1 56 . VAL . 10240 1 57 . CYS . 10240 1 58 . LYS . 10240 1 59 . GLY . 10240 1 60 . ARG . 10240 1 61 . TYR . 10240 1 62 . GLY . 10240 1 63 . LEU . 10240 1 64 . PHE . 10240 1 65 . PRO . 10240 1 66 . ALA . 10240 1 67 . ASN . 10240 1 68 . TYR . 10240 1 69 . VAL . 10240 1 70 . GLU . 10240 1 71 . LEU . 10240 1 72 . ARG . 10240 1 73 . GLN . 10240 1 74 . SER . 10240 1 75 . GLY . 10240 1 76 . PRO . 10240 1 77 . SER . 10240 1 78 . SER . 10240 1 79 . GLY . 10240 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 10240 1 . SER 2 2 10240 1 . SER 3 3 10240 1 . GLY 4 4 10240 1 . SER 5 5 10240 1 . SER 6 6 10240 1 . GLY 7 7 10240 1 . THR 8 8 10240 1 . TYR 9 9 10240 1 . ASP 10 10 10240 1 . GLU 11 11 10240 1 . TYR 12 12 10240 1 . GLU 13 13 10240 1 . ASN 14 14 10240 1 . ASP 15 15 10240 1 . LEU 16 16 10240 1 . GLY 17 17 10240 1 . ILE 18 18 10240 1 . THR 19 19 10240 1 . ALA 20 20 10240 1 . VAL 21 21 10240 1 . ALA 22 22 10240 1 . LEU 23 23 10240 1 . TYR 24 24 10240 1 . ASP 25 25 10240 1 . TYR 26 26 10240 1 . GLN 27 27 10240 1 . ALA 28 28 10240 1 . ALA 29 29 10240 1 . GLY 30 30 10240 1 . ASP 31 31 10240 1 . ASP 32 32 10240 1 . GLU 33 33 10240 1 . ILE 34 34 10240 1 . SER 35 35 10240 1 . PHE 36 36 10240 1 . ASP 37 37 10240 1 . PRO 38 38 10240 1 . ASP 39 39 10240 1 . ASP 40 40 10240 1 . ILE 41 41 10240 1 . ILE 42 42 10240 1 . THR 43 43 10240 1 . ASN 44 44 10240 1 . ILE 45 45 10240 1 . GLU 46 46 10240 1 . MET 47 47 10240 1 . ILE 48 48 10240 1 . ASP 49 49 10240 1 . ASP 50 50 10240 1 . GLY 51 51 10240 1 . TRP 52 52 10240 1 . TRP 53 53 10240 1 . ARG 54 54 10240 1 . GLY 55 55 10240 1 . VAL 56 56 10240 1 . CYS 57 57 10240 1 . LYS 58 58 10240 1 . GLY 59 59 10240 1 . ARG 60 60 10240 1 . TYR 61 61 10240 1 . GLY 62 62 10240 1 . LEU 63 63 10240 1 . PHE 64 64 10240 1 . PRO 65 65 10240 1 . ALA 66 66 10240 1 . ASN 67 67 10240 1 . TYR 68 68 10240 1 . VAL 69 69 10240 1 . GLU 70 70 10240 1 . LEU 71 71 10240 1 . ARG 72 72 10240 1 . GLN 73 73 10240 1 . SER 74 74 10240 1 . GLY 75 75 10240 1 . PRO 76 76 10240 1 . SER 77 77 10240 1 . SER 78 78 10240 1 . GLY 79 79 10240 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 10240 _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 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10240 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 10240 _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 . . P040510-08 . . . . . . 10240 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10240 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 10240 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10240 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10240 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10240 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10240 1 6 H2O . . . . . . solvent 90 . . % . . . . 10240 1 7 D2O . . . . . . solvent 10 . . % . . . . 10240 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 10240 _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 10240 1 pH 7.0 0.05 pH 10240 1 pressure 1 0.001 atm 10240 1 temperature 296 0.1 K 10240 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10240 _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 . . 10240 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10240 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10240 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10240 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10240 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10240 _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.' . . 10240 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10240 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10240 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10240 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10240 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10240 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10240 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10240 5 'structure solution' 10240 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 10240 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10240 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10240 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 10240 _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 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10240 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10240 1 stop_ 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 10240 _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 . . . . . . . . . 10240 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10240 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10240 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 10240 _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 10240 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10240 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 1 1 GLY HA2 H 1 3.772 0.030 . 2 . . . . 1 GLY HA2 . 10240 1 2 . 1 1 1 1 GLY CA C 13 41.261 0.300 . 1 . . . . 1 GLY CA . 10240 1 3 . 1 1 2 2 SER HA H 1 4.393 0.030 . 1 . . . . 2 SER HA . 10240 1 4 . 1 1 2 2 SER HB2 H 1 3.767 0.030 . 2 . . . . 2 SER HB2 . 10240 1 5 . 1 1 2 2 SER C C 13 172.345 0.300 . 1 . . . . 2 SER C . 10240 1 6 . 1 1 2 2 SER CA C 13 55.979 0.300 . 1 . . . . 2 SER CA . 10240 1 7 . 1 1 2 2 SER CB C 13 61.363 0.300 . 1 . . . . 2 SER CB . 10240 1 8 . 1 1 3 3 SER H H 1 8.253 0.030 . 1 . . . . 3 SER H . 10240 1 9 . 1 1 3 3 SER HA H 1 4.393 0.030 . 1 . . . . 3 SER HA . 10240 1 10 . 1 1 3 3 SER HB2 H 1 3.767 0.030 . 2 . . . . 3 SER HB2 . 10240 1 11 . 1 1 3 3 SER C C 13 171.613 0.300 . 1 . . . . 3 SER C . 10240 1 12 . 1 1 3 3 SER CA C 13 55.979 0.300 . 1 . . . . 3 SER CA . 10240 1 13 . 1 1 3 3 SER CB C 13 61.775 0.300 . 1 . . . . 3 SER CB . 10240 1 14 . 1 1 3 3 SER N N 15 117.514 0.300 . 1 . . . . 3 SER N . 10240 1 15 . 1 1 4 4 GLY H H 1 7.958 0.030 . 1 . . . . 4 GLY H . 10240 1 16 . 1 1 4 4 GLY HA2 H 1 3.698 0.030 . 2 . . . . 4 GLY HA2 . 10240 1 17 . 1 1 4 4 GLY C C 13 176.624 0.300 . 1 . . . . 4 GLY C . 10240 1 18 . 1 1 4 4 GLY CA C 13 43.865 0.300 . 1 . . . . 4 GLY CA . 10240 1 19 . 1 1 4 4 GLY N N 15 116.489 0.300 . 1 . . . . 4 GLY N . 10240 1 20 . 1 1 6 6 SER HA H 1 4.395 0.030 . 1 . . . . 6 SER HA . 10240 1 21 . 1 1 6 6 SER HB2 H 1 3.803 0.030 . 1 . . . . 6 SER HB2 . 10240 1 22 . 1 1 6 6 SER HB3 H 1 3.803 0.030 . 1 . . . . 6 SER HB3 . 10240 1 23 . 1 1 6 6 SER C C 13 172.644 0.300 . 1 . . . . 6 SER C . 10240 1 24 . 1 1 6 6 SER CA C 13 56.261 0.300 . 1 . . . . 6 SER CA . 10240 1 25 . 1 1 6 6 SER CB C 13 61.528 0.300 . 1 . . . . 6 SER CB . 10240 1 26 . 1 1 7 7 GLY H H 1 8.318 0.030 . 1 . . . . 7 GLY H . 10240 1 27 . 1 1 7 7 GLY HA2 H 1 3.893 0.030 . 1 . . . . 7 GLY HA2 . 10240 1 28 . 1 1 7 7 GLY HA3 H 1 3.893 0.030 . 1 . . . . 7 GLY HA3 . 10240 1 29 . 1 1 7 7 GLY C C 13 171.738 0.300 . 1 . . . . 7 GLY C . 10240 1 30 . 1 1 7 7 GLY CA C 13 43.058 0.300 . 1 . . . . 7 GLY CA . 10240 1 31 . 1 1 7 7 GLY N N 15 110.426 0.300 . 1 . . . . 7 GLY N . 10240 1 32 . 1 1 8 8 THR H H 1 7.874 0.030 . 1 . . . . 8 THR H . 10240 1 33 . 1 1 8 8 THR HA H 1 4.207 0.030 . 1 . . . . 8 THR HA . 10240 1 34 . 1 1 8 8 THR HB H 1 4.021 0.030 . 1 . . . . 8 THR HB . 10240 1 35 . 1 1 8 8 THR HG21 H 1 0.996 0.030 . 1 . . . . 8 THR HG2 . 10240 1 36 . 1 1 8 8 THR HG22 H 1 0.996 0.030 . 1 . . . . 8 THR HG2 . 10240 1 37 . 1 1 8 8 THR HG23 H 1 0.996 0.030 . 1 . . . . 8 THR HG2 . 10240 1 38 . 1 1 8 8 THR C C 13 171.829 0.300 . 1 . . . . 8 THR C . 10240 1 39 . 1 1 8 8 THR CA C 13 59.310 0.300 . 1 . . . . 8 THR CA . 10240 1 40 . 1 1 8 8 THR CB C 13 67.459 0.300 . 1 . . . . 8 THR CB . 10240 1 41 . 1 1 8 8 THR CG2 C 13 19.179 0.300 . 1 . . . . 8 THR CG2 . 10240 1 42 . 1 1 8 8 THR N N 15 113.261 0.300 . 1 . . . . 8 THR N . 10240 1 43 . 1 1 9 9 TYR H H 1 8.159 0.030 . 1 . . . . 9 TYR H . 10240 1 44 . 1 1 9 9 TYR HA H 1 4.490 0.030 . 1 . . . . 9 TYR HA . 10240 1 45 . 1 1 9 9 TYR HB2 H 1 2.959 0.030 . 2 . . . . 9 TYR HB2 . 10240 1 46 . 1 1 9 9 TYR HB3 H 1 2.804 0.030 . 2 . . . . 9 TYR HB3 . 10240 1 47 . 1 1 9 9 TYR HD1 H 1 6.967 0.030 . 1 . . . . 9 TYR HD1 . 10240 1 48 . 1 1 9 9 TYR HD2 H 1 6.967 0.030 . 1 . . . . 9 TYR HD2 . 10240 1 49 . 1 1 9 9 TYR HE1 H 1 6.687 0.030 . 1 . . . . 9 TYR HE1 . 10240 1 50 . 1 1 9 9 TYR HE2 H 1 6.687 0.030 . 1 . . . . 9 TYR HE2 . 10240 1 51 . 1 1 9 9 TYR C C 13 172.915 0.300 . 1 . . . . 9 TYR C . 10240 1 52 . 1 1 9 9 TYR CA C 13 55.379 0.300 . 1 . . . . 9 TYR CA . 10240 1 53 . 1 1 9 9 TYR CB C 13 36.440 0.300 . 1 . . . . 9 TYR CB . 10240 1 54 . 1 1 9 9 TYR CD1 C 13 130.912 0.300 . 1 . . . . 9 TYR CD1 . 10240 1 55 . 1 1 9 9 TYR CD2 C 13 130.912 0.300 . 1 . . . . 9 TYR CD2 . 10240 1 56 . 1 1 9 9 TYR CE1 C 13 115.816 0.300 . 1 . . . . 9 TYR CE1 . 10240 1 57 . 1 1 9 9 TYR CE2 C 13 115.816 0.300 . 1 . . . . 9 TYR CE2 . 10240 1 58 . 1 1 9 9 TYR N N 15 121.829 0.300 . 1 . . . . 9 TYR N . 10240 1 59 . 1 1 10 10 ASP H H 1 8.141 0.030 . 1 . . . . 10 ASP H . 10240 1 60 . 1 1 10 10 ASP HA H 1 4.431 0.030 . 1 . . . . 10 ASP HA . 10240 1 61 . 1 1 10 10 ASP HB2 H 1 2.517 0.030 . 2 . . . . 10 ASP HB2 . 10240 1 62 . 1 1 10 10 ASP HB3 H 1 2.449 0.030 . 2 . . . . 10 ASP HB3 . 10240 1 63 . 1 1 10 10 ASP C C 13 173.694 0.300 . 1 . . . . 10 ASP C . 10240 1 64 . 1 1 10 10 ASP CA C 13 51.924 0.300 . 1 . . . . 10 ASP CA . 10240 1 65 . 1 1 10 10 ASP CB C 13 39.063 0.300 . 1 . . . . 10 ASP CB . 10240 1 66 . 1 1 10 10 ASP N N 15 122.106 0.300 . 1 . . . . 10 ASP N . 10240 1 67 . 1 1 11 11 GLU H H 1 8.191 0.030 . 1 . . . . 11 GLU H . 10240 1 68 . 1 1 11 11 GLU HA H 1 4.027 0.030 . 1 . . . . 11 GLU HA . 10240 1 69 . 1 1 11 11 GLU HB2 H 1 1.794 0.030 . 2 . . . . 11 GLU HB2 . 10240 1 70 . 1 1 11 11 GLU HB3 H 1 1.716 0.030 . 2 . . . . 11 GLU HB3 . 10240 1 71 . 1 1 11 11 GLU HG2 H 1 1.975 0.030 . 2 . . . . 11 GLU HG2 . 10240 1 72 . 1 1 11 11 GLU HG3 H 1 1.933 0.030 . 2 . . . . 11 GLU HG3 . 10240 1 73 . 1 1 11 11 GLU C C 13 173.827 0.300 . 1 . . . . 11 GLU C . 10240 1 74 . 1 1 11 11 GLU CA C 13 54.657 0.300 . 1 . . . . 11 GLU CA . 10240 1 75 . 1 1 11 11 GLU CB C 13 27.788 0.300 . 1 . . . . 11 GLU CB . 10240 1 76 . 1 1 11 11 GLU CG C 13 33.754 0.300 . 1 . . . . 11 GLU CG . 10240 1 77 . 1 1 11 11 GLU N N 15 120.738 0.300 . 1 . . . . 11 GLU N . 10240 1 78 . 1 1 12 12 TYR H H 1 8.048 0.030 . 1 . . . . 12 TYR H . 10240 1 79 . 1 1 12 12 TYR HA H 1 4.439 0.030 . 1 . . . . 12 TYR HA . 10240 1 80 . 1 1 12 12 TYR HB2 H 1 3.003 0.030 . 2 . . . . 12 TYR HB2 . 10240 1 81 . 1 1 12 12 TYR HB3 H 1 2.826 0.030 . 2 . . . . 12 TYR HB3 . 10240 1 82 . 1 1 12 12 TYR HD1 H 1 7.020 0.030 . 1 . . . . 12 TYR HD1 . 10240 1 83 . 1 1 12 12 TYR HD2 H 1 7.020 0.030 . 1 . . . . 12 TYR HD2 . 10240 1 84 . 1 1 12 12 TYR HE1 H 1 6.705 0.030 . 1 . . . . 12 TYR HE1 . 10240 1 85 . 1 1 12 12 TYR HE2 H 1 6.705 0.030 . 1 . . . . 12 TYR HE2 . 10240 1 86 . 1 1 12 12 TYR C C 13 173.536 0.300 . 1 . . . . 12 TYR C . 10240 1 87 . 1 1 12 12 TYR CA C 13 55.538 0.300 . 1 . . . . 12 TYR CA . 10240 1 88 . 1 1 12 12 TYR CB C 13 36.316 0.300 . 1 . . . . 12 TYR CB . 10240 1 89 . 1 1 12 12 TYR CD1 C 13 130.799 0.300 . 1 . . . . 12 TYR CD1 . 10240 1 90 . 1 1 12 12 TYR CD2 C 13 130.799 0.300 . 1 . . . . 12 TYR CD2 . 10240 1 91 . 1 1 12 12 TYR CE1 C 13 115.946 0.300 . 1 . . . . 12 TYR CE1 . 10240 1 92 . 1 1 12 12 TYR CE2 C 13 115.946 0.300 . 1 . . . . 12 TYR CE2 . 10240 1 93 . 1 1 12 12 TYR N N 15 119.827 0.300 . 1 . . . . 12 TYR N . 10240 1 94 . 1 1 13 13 GLU H H 1 8.057 0.030 . 1 . . . . 13 GLU H . 10240 1 95 . 1 1 13 13 GLU HA H 1 4.087 0.030 . 1 . . . . 13 GLU HA . 10240 1 96 . 1 1 13 13 GLU HB2 H 1 1.917 0.030 . 2 . . . . 13 GLU HB2 . 10240 1 97 . 1 1 13 13 GLU HB3 H 1 1.818 0.030 . 2 . . . . 13 GLU HB3 . 10240 1 98 . 1 1 13 13 GLU HG2 H 1 2.103 0.030 . 1 . . . . 13 GLU HG2 . 10240 1 99 . 1 1 13 13 GLU HG3 H 1 2.103 0.030 . 1 . . . . 13 GLU HG3 . 10240 1 100 . 1 1 13 13 GLU C C 13 173.673 0.300 . 1 . . . . 13 GLU C . 10240 1 101 . 1 1 13 13 GLU CA C 13 54.410 0.300 . 1 . . . . 13 GLU CA . 10240 1 102 . 1 1 13 13 GLU CB C 13 27.820 0.300 . 1 . . . . 13 GLU CB . 10240 1 103 . 1 1 13 13 GLU CG C 13 33.927 0.300 . 1 . . . . 13 GLU CG . 10240 1 104 . 1 1 13 13 GLU N N 15 121.321 0.300 . 1 . . . . 13 GLU N . 10240 1 105 . 1 1 14 14 ASN H H 1 8.229 0.030 . 1 . . . . 14 ASN H . 10240 1 106 . 1 1 14 14 ASN HA H 1 4.545 0.030 . 1 . . . . 14 ASN HA . 10240 1 107 . 1 1 14 14 ASN HB2 H 1 2.695 0.030 . 2 . . . . 14 ASN HB2 . 10240 1 108 . 1 1 14 14 ASN HB3 H 1 2.630 0.030 . 2 . . . . 14 ASN HB3 . 10240 1 109 . 1 1 14 14 ASN HD21 H 1 7.535 0.030 . 2 . . . . 14 ASN HD21 . 10240 1 110 . 1 1 14 14 ASN HD22 H 1 6.829 0.030 . 2 . . . . 14 ASN HD22 . 10240 1 111 . 1 1 14 14 ASN C C 13 172.531 0.300 . 1 . . . . 14 ASN C . 10240 1 112 . 1 1 14 14 ASN CA C 13 51.061 0.300 . 1 . . . . 14 ASN CA . 10240 1 113 . 1 1 14 14 ASN CB C 13 36.914 0.300 . 1 . . . . 14 ASN CB . 10240 1 114 . 1 1 14 14 ASN N N 15 118.998 0.300 . 1 . . . . 14 ASN N . 10240 1 115 . 1 1 14 14 ASN ND2 N 15 112.912 0.300 . 1 . . . . 14 ASN ND2 . 10240 1 116 . 1 1 15 15 ASP H H 1 8.281 0.030 . 1 . . . . 15 ASP H . 10240 1 117 . 1 1 15 15 ASP HA H 1 4.485 0.030 . 1 . . . . 15 ASP HA . 10240 1 118 . 1 1 15 15 ASP HB2 H 1 2.632 0.030 . 2 . . . . 15 ASP HB2 . 10240 1 119 . 1 1 15 15 ASP HB3 H 1 2.549 0.030 . 2 . . . . 15 ASP HB3 . 10240 1 120 . 1 1 15 15 ASP C C 13 174.166 0.300 . 1 . . . . 15 ASP C . 10240 1 121 . 1 1 15 15 ASP CA C 13 52.294 0.300 . 1 . . . . 15 ASP CA . 10240 1 122 . 1 1 15 15 ASP CB C 13 38.725 0.300 . 1 . . . . 15 ASP CB . 10240 1 123 . 1 1 15 15 ASP N N 15 120.435 0.300 . 1 . . . . 15 ASP N . 10240 1 124 . 1 1 16 16 LEU H H 1 8.272 0.030 . 1 . . . . 16 LEU H . 10240 1 125 . 1 1 16 16 LEU HA H 1 4.211 0.030 . 1 . . . . 16 LEU HA . 10240 1 126 . 1 1 16 16 LEU HB2 H 1 1.616 0.030 . 2 . . . . 16 LEU HB2 . 10240 1 127 . 1 1 16 16 LEU HB3 H 1 1.350 0.030 . 2 . . . . 16 LEU HB3 . 10240 1 128 . 1 1 16 16 LEU HD11 H 1 0.819 0.030 . 1 . . . . 16 LEU HD1 . 10240 1 129 . 1 1 16 16 LEU HD12 H 1 0.819 0.030 . 1 . . . . 16 LEU HD1 . 10240 1 130 . 1 1 16 16 LEU HD13 H 1 0.819 0.030 . 1 . . . . 16 LEU HD1 . 10240 1 131 . 1 1 16 16 LEU HD21 H 1 0.726 0.030 . 1 . . . . 16 LEU HD2 . 10240 1 132 . 1 1 16 16 LEU HD22 H 1 0.726 0.030 . 1 . . . . 16 LEU HD2 . 10240 1 133 . 1 1 16 16 LEU HD23 H 1 0.726 0.030 . 1 . . . . 16 LEU HD2 . 10240 1 134 . 1 1 16 16 LEU HG H 1 1.576 0.030 . 1 . . . . 16 LEU HG . 10240 1 135 . 1 1 16 16 LEU C C 13 174.068 0.300 . 1 . . . . 16 LEU C . 10240 1 136 . 1 1 16 16 LEU CA C 13 52.572 0.300 . 1 . . . . 16 LEU CA . 10240 1 137 . 1 1 16 16 LEU CB C 13 39.736 0.300 . 1 . . . . 16 LEU CB . 10240 1 138 . 1 1 16 16 LEU CD1 C 13 23.132 0.300 . 2 . . . . 16 LEU CD1 . 10240 1 139 . 1 1 16 16 LEU CD2 C 13 19.920 0.300 . 2 . . . . 16 LEU CD2 . 10240 1 140 . 1 1 16 16 LEU CG C 13 24.352 0.300 . 1 . . . . 16 LEU CG . 10240 1 141 . 1 1 16 16 LEU N N 15 122.280 0.300 . 1 . . . . 16 LEU N . 10240 1 142 . 1 1 17 17 GLY H H 1 7.947 0.030 . 1 . . . . 17 GLY H . 10240 1 143 . 1 1 17 17 GLY HA2 H 1 3.621 0.030 . 1 . . . . 17 GLY HA2 . 10240 1 144 . 1 1 17 17 GLY HA3 H 1 3.621 0.030 . 1 . . . . 17 GLY HA3 . 10240 1 145 . 1 1 17 17 GLY C C 13 171.715 0.300 . 1 . . . . 17 GLY C . 10240 1 146 . 1 1 17 17 GLY CA C 13 43.781 0.300 . 1 . . . . 17 GLY CA . 10240 1 147 . 1 1 17 17 GLY N N 15 105.319 0.300 . 1 . . . . 17 GLY N . 10240 1 148 . 1 1 18 18 ILE H H 1 8.816 0.030 . 1 . . . . 18 ILE H . 10240 1 149 . 1 1 18 18 ILE HA H 1 3.873 0.030 . 1 . . . . 18 ILE HA . 10240 1 150 . 1 1 18 18 ILE HB H 1 1.675 0.030 . 1 . . . . 18 ILE HB . 10240 1 151 . 1 1 18 18 ILE HD11 H 1 0.683 0.030 . 1 . . . . 18 ILE HD1 . 10240 1 152 . 1 1 18 18 ILE HD12 H 1 0.683 0.030 . 1 . . . . 18 ILE HD1 . 10240 1 153 . 1 1 18 18 ILE HD13 H 1 0.683 0.030 . 1 . . . . 18 ILE HD1 . 10240 1 154 . 1 1 18 18 ILE HG12 H 1 1.553 0.030 . 2 . . . . 18 ILE HG12 . 10240 1 155 . 1 1 18 18 ILE HG13 H 1 0.997 0.030 . 2 . . . . 18 ILE HG13 . 10240 1 156 . 1 1 18 18 ILE HG21 H 1 0.656 0.030 . 1 . . . . 18 ILE HG2 . 10240 1 157 . 1 1 18 18 ILE HG22 H 1 0.656 0.030 . 1 . . . . 18 ILE HG2 . 10240 1 158 . 1 1 18 18 ILE HG23 H 1 0.656 0.030 . 1 . . . . 18 ILE HG2 . 10240 1 159 . 1 1 18 18 ILE C C 13 173.210 0.300 . 1 . . . . 18 ILE C . 10240 1 160 . 1 1 18 18 ILE CA C 13 59.734 0.300 . 1 . . . . 18 ILE CA . 10240 1 161 . 1 1 18 18 ILE CB C 13 35.179 0.300 . 1 . . . . 18 ILE CB . 10240 1 162 . 1 1 18 18 ILE CD1 C 13 10.324 0.300 . 1 . . . . 18 ILE CD1 . 10240 1 163 . 1 1 18 18 ILE CG1 C 13 25.303 0.300 . 1 . . . . 18 ILE CG1 . 10240 1 164 . 1 1 18 18 ILE CG2 C 13 15.801 0.300 . 1 . . . . 18 ILE CG2 . 10240 1 165 . 1 1 18 18 ILE N N 15 126.219 0.300 . 1 . . . . 18 ILE N . 10240 1 166 . 1 1 19 19 THR H H 1 7.905 0.030 . 1 . . . . 19 THR H . 10240 1 167 . 1 1 19 19 THR HA H 1 5.506 0.030 . 1 . . . . 19 THR HA . 10240 1 168 . 1 1 19 19 THR HB H 1 4.002 0.030 . 1 . . . . 19 THR HB . 10240 1 169 . 1 1 19 19 THR HG21 H 1 1.048 0.030 . 1 . . . . 19 THR HG2 . 10240 1 170 . 1 1 19 19 THR HG22 H 1 1.048 0.030 . 1 . . . . 19 THR HG2 . 10240 1 171 . 1 1 19 19 THR HG23 H 1 1.048 0.030 . 1 . . . . 19 THR HG2 . 10240 1 172 . 1 1 19 19 THR C C 13 171.380 0.300 . 1 . . . . 19 THR C . 10240 1 173 . 1 1 19 19 THR CA C 13 57.124 0.300 . 1 . . . . 19 THR CA . 10240 1 174 . 1 1 19 19 THR CB C 13 70.549 0.300 . 1 . . . . 19 THR CB . 10240 1 175 . 1 1 19 19 THR CG2 C 13 20.408 0.300 . 1 . . . . 19 THR CG2 . 10240 1 176 . 1 1 19 19 THR N N 15 114.642 0.300 . 1 . . . . 19 THR N . 10240 1 177 . 1 1 20 20 ALA H H 1 9.194 0.030 . 1 . . . . 20 ALA H . 10240 1 178 . 1 1 20 20 ALA HA H 1 4.925 0.030 . 1 . . . . 20 ALA HA . 10240 1 179 . 1 1 20 20 ALA HB1 H 1 1.065 0.030 . 1 . . . . 20 ALA HB . 10240 1 180 . 1 1 20 20 ALA HB2 H 1 1.065 0.030 . 1 . . . . 20 ALA HB . 10240 1 181 . 1 1 20 20 ALA HB3 H 1 1.065 0.030 . 1 . . . . 20 ALA HB . 10240 1 182 . 1 1 20 20 ALA C C 13 171.680 0.300 . 1 . . . . 20 ALA C . 10240 1 183 . 1 1 20 20 ALA CA C 13 48.536 0.300 . 1 . . . . 20 ALA CA . 10240 1 184 . 1 1 20 20 ALA CB C 13 22.681 0.300 . 1 . . . . 20 ALA CB . 10240 1 185 . 1 1 20 20 ALA N N 15 120.936 0.300 . 1 . . . . 20 ALA N . 10240 1 186 . 1 1 21 21 VAL H H 1 8.512 0.030 . 1 . . . . 21 VAL H . 10240 1 187 . 1 1 21 21 VAL HA H 1 4.754 0.030 . 1 . . . . 21 VAL HA . 10240 1 188 . 1 1 21 21 VAL HB H 1 1.631 0.030 . 1 . . . . 21 VAL HB . 10240 1 189 . 1 1 21 21 VAL HG11 H 1 0.769 0.030 . 1 . . . . 21 VAL HG1 . 10240 1 190 . 1 1 21 21 VAL HG12 H 1 0.769 0.030 . 1 . . . . 21 VAL HG1 . 10240 1 191 . 1 1 21 21 VAL HG13 H 1 0.769 0.030 . 1 . . . . 21 VAL HG1 . 10240 1 192 . 1 1 21 21 VAL HG21 H 1 0.775 0.030 . 1 . . . . 21 VAL HG2 . 10240 1 193 . 1 1 21 21 VAL HG22 H 1 0.775 0.030 . 1 . . . . 21 VAL HG2 . 10240 1 194 . 1 1 21 21 VAL HG23 H 1 0.775 0.030 . 1 . . . . 21 VAL HG2 . 10240 1 195 . 1 1 21 21 VAL C C 13 172.766 0.300 . 1 . . . . 21 VAL C . 10240 1 196 . 1 1 21 21 VAL CA C 13 56.666 0.300 . 1 . . . . 21 VAL CA . 10240 1 197 . 1 1 21 21 VAL CB C 13 32.485 0.300 . 1 . . . . 21 VAL CB . 10240 1 198 . 1 1 21 21 VAL CG1 C 13 19.324 0.300 . 2 . . . . 21 VAL CG1 . 10240 1 199 . 1 1 21 21 VAL CG2 C 13 18.190 0.300 . 2 . . . . 21 VAL CG2 . 10240 1 200 . 1 1 21 21 VAL N N 15 117.242 0.300 . 1 . . . . 21 VAL N . 10240 1 201 . 1 1 22 22 ALA H H 1 8.611 0.030 . 1 . . . . 22 ALA H . 10240 1 202 . 1 1 22 22 ALA HA H 1 3.861 0.030 . 1 . . . . 22 ALA HA . 10240 1 203 . 1 1 22 22 ALA HB1 H 1 1.018 0.030 . 1 . . . . 22 ALA HB . 10240 1 204 . 1 1 22 22 ALA HB2 H 1 1.018 0.030 . 1 . . . . 22 ALA HB . 10240 1 205 . 1 1 22 22 ALA HB3 H 1 1.018 0.030 . 1 . . . . 22 ALA HB . 10240 1 206 . 1 1 22 22 ALA C C 13 176.490 0.300 . 1 . . . . 22 ALA C . 10240 1 207 . 1 1 22 22 ALA CA C 13 50.373 0.300 . 1 . . . . 22 ALA CA . 10240 1 208 . 1 1 22 22 ALA CB C 13 18.099 0.300 . 1 . . . . 22 ALA CB . 10240 1 209 . 1 1 22 22 ALA N N 15 127.533 0.300 . 1 . . . . 22 ALA N . 10240 1 210 . 1 1 23 23 LEU H H 1 9.147 0.030 . 1 . . . . 23 LEU H . 10240 1 211 . 1 1 23 23 LEU HA H 1 3.922 0.030 . 1 . . . . 23 LEU HA . 10240 1 212 . 1 1 23 23 LEU HB2 H 1 0.786 0.030 . 2 . . . . 23 LEU HB2 . 10240 1 213 . 1 1 23 23 LEU HB3 H 1 0.391 0.030 . 2 . . . . 23 LEU HB3 . 10240 1 214 . 1 1 23 23 LEU HD11 H 1 0.517 0.030 . 1 . . . . 23 LEU HD1 . 10240 1 215 . 1 1 23 23 LEU HD12 H 1 0.517 0.030 . 1 . . . . 23 LEU HD1 . 10240 1 216 . 1 1 23 23 LEU HD13 H 1 0.517 0.030 . 1 . . . . 23 LEU HD1 . 10240 1 217 . 1 1 23 23 LEU HD21 H 1 0.510 0.030 . 1 . . . . 23 LEU HD2 . 10240 1 218 . 1 1 23 23 LEU HD22 H 1 0.510 0.030 . 1 . . . . 23 LEU HD2 . 10240 1 219 . 1 1 23 23 LEU HD23 H 1 0.510 0.030 . 1 . . . . 23 LEU HD2 . 10240 1 220 . 1 1 23 23 LEU HG H 1 1.152 0.030 . 1 . . . . 23 LEU HG . 10240 1 221 . 1 1 23 23 LEU C C 13 173.354 0.300 . 1 . . . . 23 LEU C . 10240 1 222 . 1 1 23 23 LEU CA C 13 53.123 0.300 . 1 . . . . 23 LEU CA . 10240 1 223 . 1 1 23 23 LEU CB C 13 40.792 0.300 . 1 . . . . 23 LEU CB . 10240 1 224 . 1 1 23 23 LEU CD1 C 13 23.004 0.300 . 2 . . . . 23 LEU CD1 . 10240 1 225 . 1 1 23 23 LEU CD2 C 13 19.353 0.300 . 2 . . . . 23 LEU CD2 . 10240 1 226 . 1 1 23 23 LEU CG C 13 24.321 0.300 . 1 . . . . 23 LEU CG . 10240 1 227 . 1 1 23 23 LEU N N 15 124.177 0.300 . 1 . . . . 23 LEU N . 10240 1 228 . 1 1 24 24 TYR H H 1 6.910 0.030 . 1 . . . . 24 TYR H . 10240 1 229 . 1 1 24 24 TYR HA H 1 4.867 0.030 . 1 . . . . 24 TYR HA . 10240 1 230 . 1 1 24 24 TYR HB2 H 1 3.221 0.030 . 2 . . . . 24 TYR HB2 . 10240 1 231 . 1 1 24 24 TYR HB3 H 1 2.287 0.030 . 2 . . . . 24 TYR HB3 . 10240 1 232 . 1 1 24 24 TYR HD1 H 1 6.631 0.030 . 1 . . . . 24 TYR HD1 . 10240 1 233 . 1 1 24 24 TYR HD2 H 1 6.631 0.030 . 1 . . . . 24 TYR HD2 . 10240 1 234 . 1 1 24 24 TYR HE1 H 1 6.563 0.030 . 1 . . . . 24 TYR HE1 . 10240 1 235 . 1 1 24 24 TYR HE2 H 1 6.563 0.030 . 1 . . . . 24 TYR HE2 . 10240 1 236 . 1 1 24 24 TYR C C 13 170.841 0.300 . 1 . . . . 24 TYR C . 10240 1 237 . 1 1 24 24 TYR CA C 13 51.740 0.300 . 1 . . . . 24 TYR CA . 10240 1 238 . 1 1 24 24 TYR CB C 13 40.026 0.300 . 1 . . . . 24 TYR CB . 10240 1 239 . 1 1 24 24 TYR CD1 C 13 131.243 0.300 . 1 . . . . 24 TYR CD1 . 10240 1 240 . 1 1 24 24 TYR CD2 C 13 131.243 0.300 . 1 . . . . 24 TYR CD2 . 10240 1 241 . 1 1 24 24 TYR CE1 C 13 115.348 0.300 . 1 . . . . 24 TYR CE1 . 10240 1 242 . 1 1 24 24 TYR CE2 C 13 115.348 0.300 . 1 . . . . 24 TYR CE2 . 10240 1 243 . 1 1 24 24 TYR N N 15 113.673 0.300 . 1 . . . . 24 TYR N . 10240 1 244 . 1 1 25 25 ASP H H 1 8.363 0.030 . 1 . . . . 25 ASP H . 10240 1 245 . 1 1 25 25 ASP HA H 1 4.817 0.030 . 1 . . . . 25 ASP HA . 10240 1 246 . 1 1 25 25 ASP HB2 H 1 2.675 0.030 . 2 . . . . 25 ASP HB2 . 10240 1 247 . 1 1 25 25 ASP HB3 H 1 2.599 0.030 . 2 . . . . 25 ASP HB3 . 10240 1 248 . 1 1 25 25 ASP C C 13 172.734 0.300 . 1 . . . . 25 ASP C . 10240 1 249 . 1 1 25 25 ASP CA C 13 51.499 0.300 . 1 . . . . 25 ASP CA . 10240 1 250 . 1 1 25 25 ASP CB C 13 39.983 0.300 . 1 . . . . 25 ASP CB . 10240 1 251 . 1 1 25 25 ASP N N 15 114.753 0.300 . 1 . . . . 25 ASP N . 10240 1 252 . 1 1 26 26 TYR H H 1 8.552 0.030 . 1 . . . . 26 TYR H . 10240 1 253 . 1 1 26 26 TYR HA H 1 4.378 0.030 . 1 . . . . 26 TYR HA . 10240 1 254 . 1 1 26 26 TYR HB2 H 1 2.411 0.030 . 2 . . . . 26 TYR HB2 . 10240 1 255 . 1 1 26 26 TYR HB3 H 1 1.146 0.030 . 2 . . . . 26 TYR HB3 . 10240 1 256 . 1 1 26 26 TYR HD1 H 1 6.803 0.030 . 1 . . . . 26 TYR HD1 . 10240 1 257 . 1 1 26 26 TYR HD2 H 1 6.803 0.030 . 1 . . . . 26 TYR HD2 . 10240 1 258 . 1 1 26 26 TYR HE1 H 1 6.774 0.030 . 1 . . . . 26 TYR HE1 . 10240 1 259 . 1 1 26 26 TYR HE2 H 1 6.774 0.030 . 1 . . . . 26 TYR HE2 . 10240 1 260 . 1 1 26 26 TYR C C 13 171.746 0.300 . 1 . . . . 26 TYR C . 10240 1 261 . 1 1 26 26 TYR CA C 13 56.930 0.300 . 1 . . . . 26 TYR CA . 10240 1 262 . 1 1 26 26 TYR CB C 13 40.271 0.300 . 1 . . . . 26 TYR CB . 10240 1 263 . 1 1 26 26 TYR CD1 C 13 130.726 0.300 . 1 . . . . 26 TYR CD1 . 10240 1 264 . 1 1 26 26 TYR CD2 C 13 130.726 0.300 . 1 . . . . 26 TYR CD2 . 10240 1 265 . 1 1 26 26 TYR CE1 C 13 115.551 0.300 . 1 . . . . 26 TYR CE1 . 10240 1 266 . 1 1 26 26 TYR CE2 C 13 115.551 0.300 . 1 . . . . 26 TYR CE2 . 10240 1 267 . 1 1 26 26 TYR N N 15 120.577 0.300 . 1 . . . . 26 TYR N . 10240 1 268 . 1 1 27 27 GLN H H 1 7.068 0.030 . 1 . . . . 27 GLN H . 10240 1 269 . 1 1 27 27 GLN HA H 1 4.192 0.030 . 1 . . . . 27 GLN HA . 10240 1 270 . 1 1 27 27 GLN HB2 H 1 1.578 0.030 . 1 . . . . 27 GLN HB2 . 10240 1 271 . 1 1 27 27 GLN HB3 H 1 1.578 0.030 . 1 . . . . 27 GLN HB3 . 10240 1 272 . 1 1 27 27 GLN HE21 H 1 7.675 0.030 . 2 . . . . 27 GLN HE21 . 10240 1 273 . 1 1 27 27 GLN HE22 H 1 6.939 0.030 . 2 . . . . 27 GLN HE22 . 10240 1 274 . 1 1 27 27 GLN HG2 H 1 2.108 0.030 . 2 . . . . 27 GLN HG2 . 10240 1 275 . 1 1 27 27 GLN HG3 H 1 2.036 0.030 . 2 . . . . 27 GLN HG3 . 10240 1 276 . 1 1 27 27 GLN C C 13 170.387 0.300 . 1 . . . . 27 GLN C . 10240 1 277 . 1 1 27 27 GLN CA C 13 50.920 0.300 . 1 . . . . 27 GLN CA . 10240 1 278 . 1 1 27 27 GLN CB C 13 27.047 0.300 . 1 . . . . 27 GLN CB . 10240 1 279 . 1 1 27 27 GLN CG C 13 31.455 0.300 . 1 . . . . 27 GLN CG . 10240 1 280 . 1 1 27 27 GLN N N 15 126.539 0.300 . 1 . . . . 27 GLN N . 10240 1 281 . 1 1 27 27 GLN NE2 N 15 114.376 0.300 . 1 . . . . 27 GLN NE2 . 10240 1 282 . 1 1 28 28 ALA H H 1 8.138 0.030 . 1 . . . . 28 ALA H . 10240 1 283 . 1 1 28 28 ALA HA H 1 3.974 0.030 . 1 . . . . 28 ALA HA . 10240 1 284 . 1 1 28 28 ALA HB1 H 1 1.103 0.030 . 1 . . . . 28 ALA HB . 10240 1 285 . 1 1 28 28 ALA HB2 H 1 1.103 0.030 . 1 . . . . 28 ALA HB . 10240 1 286 . 1 1 28 28 ALA HB3 H 1 1.103 0.030 . 1 . . . . 28 ALA HB . 10240 1 287 . 1 1 28 28 ALA C C 13 176.221 0.300 . 1 . . . . 28 ALA C . 10240 1 288 . 1 1 28 28 ALA CA C 13 50.629 0.300 . 1 . . . . 28 ALA CA . 10240 1 289 . 1 1 28 28 ALA CB C 13 17.943 0.300 . 1 . . . . 28 ALA CB . 10240 1 290 . 1 1 28 28 ALA N N 15 126.088 0.300 . 1 . . . . 28 ALA N . 10240 1 291 . 1 1 29 29 ALA H H 1 8.932 0.030 . 1 . . . . 29 ALA H . 10240 1 292 . 1 1 29 29 ALA HA H 1 4.233 0.030 . 1 . . . . 29 ALA HA . 10240 1 293 . 1 1 29 29 ALA HB1 H 1 1.381 0.030 . 1 . . . . 29 ALA HB . 10240 1 294 . 1 1 29 29 ALA HB2 H 1 1.381 0.030 . 1 . . . . 29 ALA HB . 10240 1 295 . 1 1 29 29 ALA HB3 H 1 1.381 0.030 . 1 . . . . 29 ALA HB . 10240 1 296 . 1 1 29 29 ALA C C 13 174.726 0.300 . 1 . . . . 29 ALA C . 10240 1 297 . 1 1 29 29 ALA CA C 13 49.457 0.300 . 1 . . . . 29 ALA CA . 10240 1 298 . 1 1 29 29 ALA CB C 13 16.843 0.300 . 1 . . . . 29 ALA CB . 10240 1 299 . 1 1 29 29 ALA N N 15 126.288 0.300 . 1 . . . . 29 ALA N . 10240 1 300 . 1 1 30 30 GLY H H 1 7.063 0.030 . 1 . . . . 30 GLY H . 10240 1 301 . 1 1 30 30 GLY HA2 H 1 4.039 0.030 . 2 . . . . 30 GLY HA2 . 10240 1 302 . 1 1 30 30 GLY HA3 H 1 3.905 0.030 . 2 . . . . 30 GLY HA3 . 10240 1 303 . 1 1 30 30 GLY C C 13 171.651 0.300 . 1 . . . . 30 GLY C . 10240 1 304 . 1 1 30 30 GLY CA C 13 42.293 0.300 . 1 . . . . 30 GLY CA . 10240 1 305 . 1 1 30 30 GLY N N 15 103.746 0.300 . 1 . . . . 30 GLY N . 10240 1 306 . 1 1 31 31 ASP H H 1 8.552 0.030 . 1 . . . . 31 ASP H . 10240 1 307 . 1 1 31 31 ASP HA H 1 4.361 0.030 . 1 . . . . 31 ASP HA . 10240 1 308 . 1 1 31 31 ASP HB2 H 1 2.689 0.030 . 2 . . . . 31 ASP HB2 . 10240 1 309 . 1 1 31 31 ASP HB3 H 1 2.529 0.030 . 2 . . . . 31 ASP HB3 . 10240 1 310 . 1 1 31 31 ASP C C 13 173.581 0.300 . 1 . . . . 31 ASP C . 10240 1 311 . 1 1 31 31 ASP CA C 13 54.252 0.300 . 1 . . . . 31 ASP CA . 10240 1 312 . 1 1 31 31 ASP CB C 13 38.451 0.300 . 1 . . . . 31 ASP CB . 10240 1 313 . 1 1 31 31 ASP N N 15 118.506 0.300 . 1 . . . . 31 ASP N . 10240 1 314 . 1 1 32 32 ASP H H 1 8.829 0.030 . 1 . . . . 32 ASP H . 10240 1 315 . 1 1 32 32 ASP HA H 1 4.671 0.030 . 1 . . . . 32 ASP HA . 10240 1 316 . 1 1 32 32 ASP HB2 H 1 2.700 0.030 . 2 . . . . 32 ASP HB2 . 10240 1 317 . 1 1 32 32 ASP HB3 H 1 2.644 0.030 . 2 . . . . 32 ASP HB3 . 10240 1 318 . 1 1 32 32 ASP C C 13 173.452 0.300 . 1 . . . . 32 ASP C . 10240 1 319 . 1 1 32 32 ASP CA C 13 51.184 0.300 . 1 . . . . 32 ASP CA . 10240 1 320 . 1 1 32 32 ASP CB C 13 37.665 0.300 . 1 . . . . 32 ASP CB . 10240 1 321 . 1 1 32 32 ASP N N 15 115.719 0.300 . 1 . . . . 32 ASP N . 10240 1 322 . 1 1 33 33 GLU H H 1 7.508 0.030 . 1 . . . . 33 GLU H . 10240 1 323 . 1 1 33 33 GLU HA H 1 5.364 0.030 . 1 . . . . 33 GLU HA . 10240 1 324 . 1 1 33 33 GLU HB2 H 1 2.694 0.030 . 2 . . . . 33 GLU HB2 . 10240 1 325 . 1 1 33 33 GLU HB3 H 1 1.946 0.030 . 2 . . . . 33 GLU HB3 . 10240 1 326 . 1 1 33 33 GLU HG2 H 1 2.125 0.030 . 2 . . . . 33 GLU HG2 . 10240 1 327 . 1 1 33 33 GLU HG3 H 1 2.070 0.030 . 2 . . . . 33 GLU HG3 . 10240 1 328 . 1 1 33 33 GLU C C 13 173.770 0.300 . 1 . . . . 33 GLU C . 10240 1 329 . 1 1 33 33 GLU CA C 13 52.644 0.300 . 1 . . . . 33 GLU CA . 10240 1 330 . 1 1 33 33 GLU CB C 13 32.073 0.300 . 1 . . . . 33 GLU CB . 10240 1 331 . 1 1 33 33 GLU CG C 13 33.964 0.300 . 1 . . . . 33 GLU CG . 10240 1 332 . 1 1 33 33 GLU N N 15 119.601 0.300 . 1 . . . . 33 GLU N . 10240 1 333 . 1 1 34 34 ILE H H 1 8.050 0.030 . 1 . . . . 34 ILE H . 10240 1 334 . 1 1 34 34 ILE HA H 1 4.591 0.030 . 1 . . . . 34 ILE HA . 10240 1 335 . 1 1 34 34 ILE HB H 1 1.958 0.030 . 1 . . . . 34 ILE HB . 10240 1 336 . 1 1 34 34 ILE HD11 H 1 0.639 0.030 . 1 . . . . 34 ILE HD1 . 10240 1 337 . 1 1 34 34 ILE HD12 H 1 0.639 0.030 . 1 . . . . 34 ILE HD1 . 10240 1 338 . 1 1 34 34 ILE HD13 H 1 0.639 0.030 . 1 . . . . 34 ILE HD1 . 10240 1 339 . 1 1 34 34 ILE HG12 H 1 1.353 0.030 . 2 . . . . 34 ILE HG12 . 10240 1 340 . 1 1 34 34 ILE HG13 H 1 0.966 0.030 . 2 . . . . 34 ILE HG13 . 10240 1 341 . 1 1 34 34 ILE HG21 H 1 0.726 0.030 . 1 . . . . 34 ILE HG2 . 10240 1 342 . 1 1 34 34 ILE HG22 H 1 0.726 0.030 . 1 . . . . 34 ILE HG2 . 10240 1 343 . 1 1 34 34 ILE HG23 H 1 0.726 0.030 . 1 . . . . 34 ILE HG2 . 10240 1 344 . 1 1 34 34 ILE C C 13 170.392 0.300 . 1 . . . . 34 ILE C . 10240 1 345 . 1 1 34 34 ILE CA C 13 57.829 0.300 . 1 . . . . 34 ILE CA . 10240 1 346 . 1 1 34 34 ILE CB C 13 38.664 0.300 . 1 . . . . 34 ILE CB . 10240 1 347 . 1 1 34 34 ILE CD1 C 13 12.848 0.300 . 1 . . . . 34 ILE CD1 . 10240 1 348 . 1 1 34 34 ILE CG1 C 13 23.341 0.300 . 1 . . . . 34 ILE CG1 . 10240 1 349 . 1 1 34 34 ILE CG2 C 13 16.587 0.300 . 1 . . . . 34 ILE CG2 . 10240 1 350 . 1 1 34 34 ILE N N 15 111.983 0.300 . 1 . . . . 34 ILE N . 10240 1 351 . 1 1 35 35 SER H H 1 6.938 0.030 . 1 . . . . 35 SER H . 10240 1 352 . 1 1 35 35 SER HA H 1 4.862 0.030 . 1 . . . . 35 SER HA . 10240 1 353 . 1 1 35 35 SER HB2 H 1 3.950 0.030 . 2 . . . . 35 SER HB2 . 10240 1 354 . 1 1 35 35 SER HB3 H 1 3.446 0.030 . 2 . . . . 35 SER HB3 . 10240 1 355 . 1 1 35 35 SER C C 13 171.139 0.300 . 1 . . . . 35 SER C . 10240 1 356 . 1 1 35 35 SER CA C 13 54.005 0.300 . 1 . . . . 35 SER CA . 10240 1 357 . 1 1 35 35 SER CB C 13 63.958 0.300 . 1 . . . . 35 SER CB . 10240 1 358 . 1 1 35 35 SER N N 15 108.932 0.300 . 1 . . . . 35 SER N . 10240 1 359 . 1 1 36 36 PHE H H 1 8.468 0.030 . 1 . . . . 36 PHE H . 10240 1 360 . 1 1 36 36 PHE HA H 1 4.671 0.030 . 1 . . . . 36 PHE HA . 10240 1 361 . 1 1 36 36 PHE HB2 H 1 3.692 0.030 . 2 . . . . 36 PHE HB2 . 10240 1 362 . 1 1 36 36 PHE HB3 H 1 3.099 0.030 . 2 . . . . 36 PHE HB3 . 10240 1 363 . 1 1 36 36 PHE HD1 H 1 6.737 0.030 . 1 . . . . 36 PHE HD1 . 10240 1 364 . 1 1 36 36 PHE HD2 H 1 6.737 0.030 . 1 . . . . 36 PHE HD2 . 10240 1 365 . 1 1 36 36 PHE HE1 H 1 6.956 0.030 . 1 . . . . 36 PHE HE1 . 10240 1 366 . 1 1 36 36 PHE HE2 H 1 6.956 0.030 . 1 . . . . 36 PHE HE2 . 10240 1 367 . 1 1 36 36 PHE HZ H 1 6.612 0.030 . 1 . . . . 36 PHE HZ . 10240 1 368 . 1 1 36 36 PHE C C 13 171.793 0.300 . 1 . . . . 36 PHE C . 10240 1 369 . 1 1 36 36 PHE CA C 13 53.529 0.300 . 1 . . . . 36 PHE CA . 10240 1 370 . 1 1 36 36 PHE CB C 13 38.323 0.300 . 1 . . . . 36 PHE CB . 10240 1 371 . 1 1 36 36 PHE CD1 C 13 130.663 0.300 . 1 . . . . 36 PHE CD1 . 10240 1 372 . 1 1 36 36 PHE CD2 C 13 130.663 0.300 . 1 . . . . 36 PHE CD2 . 10240 1 373 . 1 1 36 36 PHE CE1 C 13 128.434 0.300 . 1 . . . . 36 PHE CE1 . 10240 1 374 . 1 1 36 36 PHE CE2 C 13 128.434 0.300 . 1 . . . . 36 PHE CE2 . 10240 1 375 . 1 1 36 36 PHE CZ C 13 125.342 0.300 . 1 . . . . 36 PHE CZ . 10240 1 376 . 1 1 36 36 PHE N N 15 115.678 0.300 . 1 . . . . 36 PHE N . 10240 1 377 . 1 1 37 37 ASP H H 1 9.377 0.030 . 1 . . . . 37 ASP H . 10240 1 378 . 1 1 37 37 ASP HA H 1 5.094 0.030 . 1 . . . . 37 ASP HA . 10240 1 379 . 1 1 37 37 ASP HB2 H 1 2.565 0.030 . 2 . . . . 37 ASP HB2 . 10240 1 380 . 1 1 37 37 ASP HB3 H 1 2.204 0.030 . 2 . . . . 37 ASP HB3 . 10240 1 381 . 1 1 37 37 ASP C C 13 170.506 0.300 . 1 . . . . 37 ASP C . 10240 1 382 . 1 1 37 37 ASP CA C 13 49.492 0.300 . 1 . . . . 37 ASP CA . 10240 1 383 . 1 1 37 37 ASP CB C 13 39.142 0.300 . 1 . . . . 37 ASP CB . 10240 1 384 . 1 1 37 37 ASP N N 15 120.984 0.300 . 1 . . . . 37 ASP N . 10240 1 385 . 1 1 38 38 PRO HA H 1 3.526 0.030 . 1 . . . . 38 PRO HA . 10240 1 386 . 1 1 38 38 PRO HB2 H 1 1.858 0.030 . 2 . . . . 38 PRO HB2 . 10240 1 387 . 1 1 38 38 PRO HB3 H 1 1.619 0.030 . 2 . . . . 38 PRO HB3 . 10240 1 388 . 1 1 38 38 PRO HD2 H 1 3.595 0.030 . 2 . . . . 38 PRO HD2 . 10240 1 389 . 1 1 38 38 PRO HD3 H 1 3.477 0.030 . 2 . . . . 38 PRO HD3 . 10240 1 390 . 1 1 38 38 PRO HG2 H 1 2.121 0.030 . 2 . . . . 38 PRO HG2 . 10240 1 391 . 1 1 38 38 PRO HG3 H 1 1.634 0.030 . 2 . . . . 38 PRO HG3 . 10240 1 392 . 1 1 38 38 PRO C C 13 174.705 0.300 . 1 . . . . 38 PRO C . 10240 1 393 . 1 1 38 38 PRO CA C 13 61.549 0.300 . 1 . . . . 38 PRO CA . 10240 1 394 . 1 1 38 38 PRO CB C 13 28.489 0.300 . 1 . . . . 38 PRO CB . 10240 1 395 . 1 1 38 38 PRO CD C 13 47.916 0.300 . 1 . . . . 38 PRO CD . 10240 1 396 . 1 1 38 38 PRO CG C 13 26.278 0.300 . 1 . . . . 38 PRO CG . 10240 1 397 . 1 1 39 39 ASP H H 1 8.619 0.030 . 1 . . . . 39 ASP H . 10240 1 398 . 1 1 39 39 ASP HA H 1 3.984 0.030 . 1 . . . . 39 ASP HA . 10240 1 399 . 1 1 39 39 ASP HB2 H 1 3.178 0.030 . 2 . . . . 39 ASP HB2 . 10240 1 400 . 1 1 39 39 ASP HB3 H 1 2.686 0.030 . 2 . . . . 39 ASP HB3 . 10240 1 401 . 1 1 39 39 ASP C C 13 173.561 0.300 . 1 . . . . 39 ASP C . 10240 1 402 . 1 1 39 39 ASP CA C 13 55.203 0.300 . 1 . . . . 39 ASP CA . 10240 1 403 . 1 1 39 39 ASP CB C 13 36.854 0.300 . 1 . . . . 39 ASP CB . 10240 1 404 . 1 1 39 39 ASP N N 15 115.326 0.300 . 1 . . . . 39 ASP N . 10240 1 405 . 1 1 40 40 ASP H H 1 7.894 0.030 . 1 . . . . 40 ASP H . 10240 1 406 . 1 1 40 40 ASP HA H 1 4.509 0.030 . 1 . . . . 40 ASP HA . 10240 1 407 . 1 1 40 40 ASP HB2 H 1 2.861 0.030 . 2 . . . . 40 ASP HB2 . 10240 1 408 . 1 1 40 40 ASP HB3 H 1 2.275 0.030 . 2 . . . . 40 ASP HB3 . 10240 1 409 . 1 1 40 40 ASP C C 13 172.080 0.300 . 1 . . . . 40 ASP C . 10240 1 410 . 1 1 40 40 ASP CA C 13 53.475 0.300 . 1 . . . . 40 ASP CA . 10240 1 411 . 1 1 40 40 ASP CB C 13 39.307 0.300 . 1 . . . . 40 ASP CB . 10240 1 412 . 1 1 40 40 ASP N N 15 121.364 0.300 . 1 . . . . 40 ASP N . 10240 1 413 . 1 1 41 41 ILE H H 1 8.216 0.030 . 1 . . . . 41 ILE H . 10240 1 414 . 1 1 41 41 ILE HA H 1 4.625 0.030 . 1 . . . . 41 ILE HA . 10240 1 415 . 1 1 41 41 ILE HB H 1 1.706 0.030 . 1 . . . . 41 ILE HB . 10240 1 416 . 1 1 41 41 ILE HD11 H 1 0.685 0.030 . 1 . . . . 41 ILE HD1 . 10240 1 417 . 1 1 41 41 ILE HD12 H 1 0.685 0.030 . 1 . . . . 41 ILE HD1 . 10240 1 418 . 1 1 41 41 ILE HD13 H 1 0.685 0.030 . 1 . . . . 41 ILE HD1 . 10240 1 419 . 1 1 41 41 ILE HG12 H 1 1.441 0.030 . 2 . . . . 41 ILE HG12 . 10240 1 420 . 1 1 41 41 ILE HG13 H 1 1.174 0.030 . 2 . . . . 41 ILE HG13 . 10240 1 421 . 1 1 41 41 ILE HG21 H 1 0.721 0.030 . 1 . . . . 41 ILE HG2 . 10240 1 422 . 1 1 41 41 ILE HG22 H 1 0.721 0.030 . 1 . . . . 41 ILE HG2 . 10240 1 423 . 1 1 41 41 ILE HG23 H 1 0.721 0.030 . 1 . . . . 41 ILE HG2 . 10240 1 424 . 1 1 41 41 ILE C C 13 172.925 0.300 . 1 . . . . 41 ILE C . 10240 1 425 . 1 1 41 41 ILE CA C 13 56.860 0.300 . 1 . . . . 41 ILE CA . 10240 1 426 . 1 1 41 41 ILE CB C 13 36.381 0.300 . 1 . . . . 41 ILE CB . 10240 1 427 . 1 1 41 41 ILE CD1 C 13 9.612 0.300 . 1 . . . . 41 ILE CD1 . 10240 1 428 . 1 1 41 41 ILE CG1 C 13 25.358 0.300 . 1 . . . . 41 ILE CG1 . 10240 1 429 . 1 1 41 41 ILE CG2 C 13 14.924 0.300 . 1 . . . . 41 ILE CG2 . 10240 1 430 . 1 1 41 41 ILE N N 15 118.655 0.300 . 1 . . . . 41 ILE N . 10240 1 431 . 1 1 42 42 ILE H H 1 8.817 0.030 . 1 . . . . 42 ILE H . 10240 1 432 . 1 1 42 42 ILE HA H 1 4.683 0.030 . 1 . . . . 42 ILE HA . 10240 1 433 . 1 1 42 42 ILE HB H 1 1.114 0.030 . 1 . . . . 42 ILE HB . 10240 1 434 . 1 1 42 42 ILE HD11 H 1 -0.359 0.030 . 1 . . . . 42 ILE HD1 . 10240 1 435 . 1 1 42 42 ILE HD12 H 1 -0.359 0.030 . 1 . . . . 42 ILE HD1 . 10240 1 436 . 1 1 42 42 ILE HD13 H 1 -0.359 0.030 . 1 . . . . 42 ILE HD1 . 10240 1 437 . 1 1 42 42 ILE HG12 H 1 0.790 0.030 . 2 . . . . 42 ILE HG12 . 10240 1 438 . 1 1 42 42 ILE HG13 H 1 0.221 0.030 . 2 . . . . 42 ILE HG13 . 10240 1 439 . 1 1 42 42 ILE HG21 H 1 0.497 0.030 . 1 . . . . 42 ILE HG2 . 10240 1 440 . 1 1 42 42 ILE HG22 H 1 0.497 0.030 . 1 . . . . 42 ILE HG2 . 10240 1 441 . 1 1 42 42 ILE HG23 H 1 0.497 0.030 . 1 . . . . 42 ILE HG2 . 10240 1 442 . 1 1 42 42 ILE C C 13 173.443 0.300 . 1 . . . . 42 ILE C . 10240 1 443 . 1 1 42 42 ILE CA C 13 57.812 0.300 . 1 . . . . 42 ILE CA . 10240 1 444 . 1 1 42 42 ILE CB C 13 38.259 0.300 . 1 . . . . 42 ILE CB . 10240 1 445 . 1 1 42 42 ILE CD1 C 13 13.402 0.300 . 1 . . . . 42 ILE CD1 . 10240 1 446 . 1 1 42 42 ILE CG1 C 13 27.665 0.300 . 1 . . . . 42 ILE CG1 . 10240 1 447 . 1 1 42 42 ILE CG2 C 13 18.232 0.300 . 1 . . . . 42 ILE CG2 . 10240 1 448 . 1 1 42 42 ILE N N 15 130.108 0.300 . 1 . . . . 42 ILE N . 10240 1 449 . 1 1 43 43 THR H H 1 9.452 0.030 . 1 . . . . 43 THR H . 10240 1 450 . 1 1 43 43 THR HA H 1 4.990 0.030 . 1 . . . . 43 THR HA . 10240 1 451 . 1 1 43 43 THR HB H 1 4.565 0.030 . 1 . . . . 43 THR HB . 10240 1 452 . 1 1 43 43 THR HG21 H 1 1.054 0.030 . 1 . . . . 43 THR HG2 . 10240 1 453 . 1 1 43 43 THR HG22 H 1 1.054 0.030 . 1 . . . . 43 THR HG2 . 10240 1 454 . 1 1 43 43 THR HG23 H 1 1.054 0.030 . 1 . . . . 43 THR HG2 . 10240 1 455 . 1 1 43 43 THR C C 13 170.749 0.300 . 1 . . . . 43 THR C . 10240 1 456 . 1 1 43 43 THR CA C 13 57.748 0.300 . 1 . . . . 43 THR CA . 10240 1 457 . 1 1 43 43 THR CB C 13 68.367 0.300 . 1 . . . . 43 THR CB . 10240 1 458 . 1 1 43 43 THR CG2 C 13 18.734 0.300 . 1 . . . . 43 THR CG2 . 10240 1 459 . 1 1 43 43 THR N N 15 115.005 0.300 . 1 . . . . 43 THR N . 10240 1 460 . 1 1 44 44 ASN H H 1 8.945 0.030 . 1 . . . . 44 ASN H . 10240 1 461 . 1 1 44 44 ASN HA H 1 4.170 0.030 . 1 . . . . 44 ASN HA . 10240 1 462 . 1 1 44 44 ASN HB2 H 1 2.724 0.030 . 2 . . . . 44 ASN HB2 . 10240 1 463 . 1 1 44 44 ASN HB3 H 1 2.583 0.030 . 2 . . . . 44 ASN HB3 . 10240 1 464 . 1 1 44 44 ASN HD21 H 1 7.464 0.030 . 2 . . . . 44 ASN HD21 . 10240 1 465 . 1 1 44 44 ASN HD22 H 1 7.007 0.030 . 2 . . . . 44 ASN HD22 . 10240 1 466 . 1 1 44 44 ASN C C 13 172.726 0.300 . 1 . . . . 44 ASN C . 10240 1 467 . 1 1 44 44 ASN CA C 13 53.052 0.300 . 1 . . . . 44 ASN CA . 10240 1 468 . 1 1 44 44 ASN CB C 13 35.156 0.300 . 1 . . . . 44 ASN CB . 10240 1 469 . 1 1 44 44 ASN N N 15 115.537 0.300 . 1 . . . . 44 ASN N . 10240 1 470 . 1 1 44 44 ASN ND2 N 15 111.244 0.300 . 1 . . . . 44 ASN ND2 . 10240 1 471 . 1 1 45 45 ILE H H 1 8.540 0.030 . 1 . . . . 45 ILE H . 10240 1 472 . 1 1 45 45 ILE HA H 1 4.695 0.030 . 1 . . . . 45 ILE HA . 10240 1 473 . 1 1 45 45 ILE HB H 1 1.257 0.030 . 1 . . . . 45 ILE HB . 10240 1 474 . 1 1 45 45 ILE HD11 H 1 0.728 0.030 . 1 . . . . 45 ILE HD1 . 10240 1 475 . 1 1 45 45 ILE HD12 H 1 0.728 0.030 . 1 . . . . 45 ILE HD1 . 10240 1 476 . 1 1 45 45 ILE HD13 H 1 0.728 0.030 . 1 . . . . 45 ILE HD1 . 10240 1 477 . 1 1 45 45 ILE HG12 H 1 1.654 0.030 . 2 . . . . 45 ILE HG12 . 10240 1 478 . 1 1 45 45 ILE HG13 H 1 1.000 0.030 . 2 . . . . 45 ILE HG13 . 10240 1 479 . 1 1 45 45 ILE HG21 H 1 0.468 0.030 . 1 . . . . 45 ILE HG2 . 10240 1 480 . 1 1 45 45 ILE HG22 H 1 0.468 0.030 . 1 . . . . 45 ILE HG2 . 10240 1 481 . 1 1 45 45 ILE HG23 H 1 0.468 0.030 . 1 . . . . 45 ILE HG2 . 10240 1 482 . 1 1 45 45 ILE C C 13 174.877 0.300 . 1 . . . . 45 ILE C . 10240 1 483 . 1 1 45 45 ILE CA C 13 60.703 0.300 . 1 . . . . 45 ILE CA . 10240 1 484 . 1 1 45 45 ILE CB C 13 36.028 0.300 . 1 . . . . 45 ILE CB . 10240 1 485 . 1 1 45 45 ILE CD1 C 13 13.741 0.300 . 1 . . . . 45 ILE CD1 . 10240 1 486 . 1 1 45 45 ILE CG1 C 13 29.270 0.300 . 1 . . . . 45 ILE CG1 . 10240 1 487 . 1 1 45 45 ILE CG2 C 13 15.536 0.300 . 1 . . . . 45 ILE CG2 . 10240 1 488 . 1 1 45 45 ILE N N 15 116.184 0.300 . 1 . . . . 45 ILE N . 10240 1 489 . 1 1 46 46 GLU H H 1 9.319 0.030 . 1 . . . . 46 GLU H . 10240 1 490 . 1 1 46 46 GLU HA H 1 4.253 0.030 . 1 . . . . 46 GLU HA . 10240 1 491 . 1 1 46 46 GLU HB2 H 1 1.895 0.030 . 2 . . . . 46 GLU HB2 . 10240 1 492 . 1 1 46 46 GLU HB3 H 1 1.815 0.030 . 2 . . . . 46 GLU HB3 . 10240 1 493 . 1 1 46 46 GLU HG2 H 1 2.219 0.030 . 2 . . . . 46 GLU HG2 . 10240 1 494 . 1 1 46 46 GLU HG3 H 1 2.046 0.030 . 2 . . . . 46 GLU HG3 . 10240 1 495 . 1 1 46 46 GLU C C 13 173.240 0.300 . 1 . . . . 46 GLU C . 10240 1 496 . 1 1 46 46 GLU CA C 13 51.925 0.300 . 1 . . . . 46 GLU CA . 10240 1 497 . 1 1 46 46 GLU CB C 13 30.127 0.300 . 1 . . . . 46 GLU CB . 10240 1 498 . 1 1 46 46 GLU CG C 13 33.103 0.300 . 1 . . . . 46 GLU CG . 10240 1 499 . 1 1 46 46 GLU N N 15 126.506 0.300 . 1 . . . . 46 GLU N . 10240 1 500 . 1 1 47 47 MET H H 1 8.608 0.030 . 1 . . . . 47 MET H . 10240 1 501 . 1 1 47 47 MET HA H 1 3.580 0.030 . 1 . . . . 47 MET HA . 10240 1 502 . 1 1 47 47 MET HB2 H 1 1.550 0.030 . 2 . . . . 47 MET HB2 . 10240 1 503 . 1 1 47 47 MET HB3 H 1 1.308 0.030 . 2 . . . . 47 MET HB3 . 10240 1 504 . 1 1 47 47 MET HE1 H 1 1.486 0.030 . 1 . . . . 47 MET HE . 10240 1 505 . 1 1 47 47 MET HE2 H 1 1.486 0.030 . 1 . . . . 47 MET HE . 10240 1 506 . 1 1 47 47 MET HE3 H 1 1.486 0.030 . 1 . . . . 47 MET HE . 10240 1 507 . 1 1 47 47 MET HG2 H 1 1.391 0.030 . 2 . . . . 47 MET HG2 . 10240 1 508 . 1 1 47 47 MET HG3 H 1 0.256 0.030 . 2 . . . . 47 MET HG3 . 10240 1 509 . 1 1 47 47 MET C C 13 173.389 0.300 . 1 . . . . 47 MET C . 10240 1 510 . 1 1 47 47 MET CA C 13 53.053 0.300 . 1 . . . . 47 MET CA . 10240 1 511 . 1 1 47 47 MET CB C 13 28.160 0.300 . 1 . . . . 47 MET CB . 10240 1 512 . 1 1 47 47 MET CE C 13 15.232 0.300 . 1 . . . . 47 MET CE . 10240 1 513 . 1 1 47 47 MET CG C 13 29.295 0.300 . 1 . . . . 47 MET CG . 10240 1 514 . 1 1 47 47 MET N N 15 125.732 0.300 . 1 . . . . 47 MET N . 10240 1 515 . 1 1 48 48 ILE H H 1 7.268 0.030 . 1 . . . . 48 ILE H . 10240 1 516 . 1 1 48 48 ILE HA H 1 3.869 0.030 . 1 . . . . 48 ILE HA . 10240 1 517 . 1 1 48 48 ILE HB H 1 2.134 0.030 . 1 . . . . 48 ILE HB . 10240 1 518 . 1 1 48 48 ILE HD11 H 1 0.686 0.030 . 1 . . . . 48 ILE HD1 . 10240 1 519 . 1 1 48 48 ILE HD12 H 1 0.686 0.030 . 1 . . . . 48 ILE HD1 . 10240 1 520 . 1 1 48 48 ILE HD13 H 1 0.686 0.030 . 1 . . . . 48 ILE HD1 . 10240 1 521 . 1 1 48 48 ILE HG12 H 1 1.366 0.030 . 2 . . . . 48 ILE HG12 . 10240 1 522 . 1 1 48 48 ILE HG13 H 1 1.150 0.030 . 2 . . . . 48 ILE HG13 . 10240 1 523 . 1 1 48 48 ILE HG21 H 1 0.865 0.030 . 1 . . . . 48 ILE HG2 . 10240 1 524 . 1 1 48 48 ILE HG22 H 1 0.865 0.030 . 1 . . . . 48 ILE HG2 . 10240 1 525 . 1 1 48 48 ILE HG23 H 1 0.865 0.030 . 1 . . . . 48 ILE HG2 . 10240 1 526 . 1 1 48 48 ILE C C 13 173.671 0.300 . 1 . . . . 48 ILE C . 10240 1 527 . 1 1 48 48 ILE CA C 13 60.667 0.300 . 1 . . . . 48 ILE CA . 10240 1 528 . 1 1 48 48 ILE CB C 13 35.137 0.300 . 1 . . . . 48 ILE CB . 10240 1 529 . 1 1 48 48 ILE CD1 C 13 9.982 0.300 . 1 . . . . 48 ILE CD1 . 10240 1 530 . 1 1 48 48 ILE CG1 C 13 25.193 0.300 . 1 . . . . 48 ILE CG1 . 10240 1 531 . 1 1 48 48 ILE CG2 C 13 15.724 0.300 . 1 . . . . 48 ILE CG2 . 10240 1 532 . 1 1 48 48 ILE N N 15 123.227 0.300 . 1 . . . . 48 ILE N . 10240 1 533 . 1 1 49 49 ASP H H 1 8.282 0.030 . 1 . . . . 49 ASP H . 10240 1 534 . 1 1 49 49 ASP HA H 1 4.623 0.030 . 1 . . . . 49 ASP HA . 10240 1 535 . 1 1 49 49 ASP HB2 H 1 2.914 0.030 . 1 . . . . 49 ASP HB2 . 10240 1 536 . 1 1 49 49 ASP HB3 H 1 2.914 0.030 . 1 . . . . 49 ASP HB3 . 10240 1 537 . 1 1 49 49 ASP C C 13 172.447 0.300 . 1 . . . . 49 ASP C . 10240 1 538 . 1 1 49 49 ASP CA C 13 51.519 0.300 . 1 . . . . 49 ASP CA . 10240 1 539 . 1 1 49 49 ASP CB C 13 39.937 0.300 . 1 . . . . 49 ASP CB . 10240 1 540 . 1 1 49 49 ASP N N 15 119.056 0.300 . 1 . . . . 49 ASP N . 10240 1 541 . 1 1 50 50 ASP H H 1 8.147 0.030 . 1 . . . . 50 ASP H . 10240 1 542 . 1 1 50 50 ASP HA H 1 4.485 0.030 . 1 . . . . 50 ASP HA . 10240 1 543 . 1 1 50 50 ASP HB2 H 1 2.623 0.030 . 1 . . . . 50 ASP HB2 . 10240 1 544 . 1 1 50 50 ASP HB3 H 1 2.623 0.030 . 1 . . . . 50 ASP HB3 . 10240 1 545 . 1 1 50 50 ASP C C 13 174.633 0.300 . 1 . . . . 50 ASP C . 10240 1 546 . 1 1 50 50 ASP CA C 13 53.493 0.300 . 1 . . . . 50 ASP CA . 10240 1 547 . 1 1 50 50 ASP CB C 13 38.430 0.300 . 1 . . . . 50 ASP CB . 10240 1 548 . 1 1 50 50 ASP N N 15 115.125 0.300 . 1 . . . . 50 ASP N . 10240 1 549 . 1 1 51 51 GLY H H 1 8.725 0.030 . 1 . . . . 51 GLY H . 10240 1 550 . 1 1 51 51 GLY HA2 H 1 3.760 0.030 . 2 . . . . 51 GLY HA2 . 10240 1 551 . 1 1 51 51 GLY HA3 H 1 3.608 0.030 . 2 . . . . 51 GLY HA3 . 10240 1 552 . 1 1 51 51 GLY C C 13 171.608 0.300 . 1 . . . . 51 GLY C . 10240 1 553 . 1 1 51 51 GLY CA C 13 43.169 0.300 . 1 . . . . 51 GLY CA . 10240 1 554 . 1 1 51 51 GLY N N 15 106.233 0.300 . 1 . . . . 51 GLY N . 10240 1 555 . 1 1 52 52 TRP H H 1 8.117 0.030 . 1 . . . . 52 TRP H . 10240 1 556 . 1 1 52 52 TRP HA H 1 4.588 0.030 . 1 . . . . 52 TRP HA . 10240 1 557 . 1 1 52 52 TRP HB2 H 1 2.838 0.030 . 1 . . . . 52 TRP HB2 . 10240 1 558 . 1 1 52 52 TRP HB3 H 1 2.838 0.030 . 1 . . . . 52 TRP HB3 . 10240 1 559 . 1 1 52 52 TRP HD1 H 1 7.114 0.030 . 1 . . . . 52 TRP HD1 . 10240 1 560 . 1 1 52 52 TRP HE1 H 1 9.818 0.030 . 1 . . . . 52 TRP HE1 . 10240 1 561 . 1 1 52 52 TRP HE3 H 1 7.080 0.030 . 1 . . . . 52 TRP HE3 . 10240 1 562 . 1 1 52 52 TRP HH2 H 1 7.156 0.030 . 1 . . . . 52 TRP HH2 . 10240 1 563 . 1 1 52 52 TRP HZ2 H 1 7.284 0.030 . 1 . . . . 52 TRP HZ2 . 10240 1 564 . 1 1 52 52 TRP HZ3 H 1 6.426 0.030 . 1 . . . . 52 TRP HZ3 . 10240 1 565 . 1 1 52 52 TRP C C 13 170.992 0.300 . 1 . . . . 52 TRP C . 10240 1 566 . 1 1 52 52 TRP CA C 13 54.939 0.300 . 1 . . . . 52 TRP CA . 10240 1 567 . 1 1 52 52 TRP CB C 13 28.800 0.300 . 1 . . . . 52 TRP CB . 10240 1 568 . 1 1 52 52 TRP CD1 C 13 124.447 0.300 . 1 . . . . 52 TRP CD1 . 10240 1 569 . 1 1 52 52 TRP CE3 C 13 117.861 0.300 . 1 . . . . 52 TRP CE3 . 10240 1 570 . 1 1 52 52 TRP CH2 C 13 122.814 0.300 . 1 . . . . 52 TRP CH2 . 10240 1 571 . 1 1 52 52 TRP CZ2 C 13 112.001 0.300 . 1 . . . . 52 TRP CZ2 . 10240 1 572 . 1 1 52 52 TRP CZ3 C 13 117.869 0.300 . 1 . . . . 52 TRP CZ3 . 10240 1 573 . 1 1 52 52 TRP N N 15 123.888 0.300 . 1 . . . . 52 TRP N . 10240 1 574 . 1 1 52 52 TRP NE1 N 15 128.369 0.300 . 1 . . . . 52 TRP NE1 . 10240 1 575 . 1 1 53 53 TRP H H 1 7.971 0.030 . 1 . . . . 53 TRP H . 10240 1 576 . 1 1 53 53 TRP HA H 1 5.107 0.030 . 1 . . . . 53 TRP HA . 10240 1 577 . 1 1 53 53 TRP HB2 H 1 2.765 0.030 . 2 . . . . 53 TRP HB2 . 10240 1 578 . 1 1 53 53 TRP HB3 H 1 1.898 0.030 . 2 . . . . 53 TRP HB3 . 10240 1 579 . 1 1 53 53 TRP HD1 H 1 7.437 0.030 . 1 . . . . 53 TRP HD1 . 10240 1 580 . 1 1 53 53 TRP HE1 H 1 9.642 0.030 . 1 . . . . 53 TRP HE1 . 10240 1 581 . 1 1 53 53 TRP HE3 H 1 7.286 0.030 . 1 . . . . 53 TRP HE3 . 10240 1 582 . 1 1 53 53 TRP HH2 H 1 7.034 0.030 . 1 . . . . 53 TRP HH2 . 10240 1 583 . 1 1 53 53 TRP HZ2 H 1 7.341 0.030 . 1 . . . . 53 TRP HZ2 . 10240 1 584 . 1 1 53 53 TRP HZ3 H 1 6.651 0.030 . 1 . . . . 53 TRP HZ3 . 10240 1 585 . 1 1 53 53 TRP C C 13 170.831 0.300 . 1 . . . . 53 TRP C . 10240 1 586 . 1 1 53 53 TRP CA C 13 49.809 0.300 . 1 . . . . 53 TRP CA . 10240 1 587 . 1 1 53 53 TRP CB C 13 31.848 0.300 . 1 . . . . 53 TRP CB . 10240 1 588 . 1 1 53 53 TRP CD1 C 13 121.664 0.300 . 1 . . . . 53 TRP CD1 . 10240 1 589 . 1 1 53 53 TRP CE3 C 13 118.099 0.300 . 1 . . . . 53 TRP CE3 . 10240 1 590 . 1 1 53 53 TRP CH2 C 13 122.303 0.300 . 1 . . . . 53 TRP CH2 . 10240 1 591 . 1 1 53 53 TRP CZ2 C 13 112.417 0.300 . 1 . . . . 53 TRP CZ2 . 10240 1 592 . 1 1 53 53 TRP CZ3 C 13 118.726 0.300 . 1 . . . . 53 TRP CZ3 . 10240 1 593 . 1 1 53 53 TRP N N 15 122.425 0.300 . 1 . . . . 53 TRP N . 10240 1 594 . 1 1 53 53 TRP NE1 N 15 127.435 0.300 . 1 . . . . 53 TRP NE1 . 10240 1 595 . 1 1 54 54 ARG H H 1 8.453 0.030 . 1 . . . . 54 ARG H . 10240 1 596 . 1 1 54 54 ARG HA H 1 5.385 0.030 . 1 . . . . 54 ARG HA . 10240 1 597 . 1 1 54 54 ARG HB2 H 1 1.544 0.030 . 2 . . . . 54 ARG HB2 . 10240 1 598 . 1 1 54 54 ARG HB3 H 1 1.465 0.030 . 2 . . . . 54 ARG HB3 . 10240 1 599 . 1 1 54 54 ARG HD2 H 1 2.941 0.030 . 1 . . . . 54 ARG HD2 . 10240 1 600 . 1 1 54 54 ARG HD3 H 1 2.941 0.030 . 1 . . . . 54 ARG HD3 . 10240 1 601 . 1 1 54 54 ARG HE H 1 6.916 0.030 . 1 . . . . 54 ARG HE . 10240 1 602 . 1 1 54 54 ARG HG2 H 1 1.312 0.030 . 2 . . . . 54 ARG HG2 . 10240 1 603 . 1 1 54 54 ARG HG3 H 1 1.247 0.030 . 2 . . . . 54 ARG HG3 . 10240 1 604 . 1 1 54 54 ARG C C 13 173.375 0.300 . 1 . . . . 54 ARG C . 10240 1 605 . 1 1 54 54 ARG CA C 13 51.959 0.300 . 1 . . . . 54 ARG CA . 10240 1 606 . 1 1 54 54 ARG CB C 13 32.485 0.300 . 1 . . . . 54 ARG CB . 10240 1 607 . 1 1 54 54 ARG CD C 13 41.414 0.300 . 1 . . . . 54 ARG CD . 10240 1 608 . 1 1 54 54 ARG CG C 13 25.791 0.300 . 1 . . . . 54 ARG CG . 10240 1 609 . 1 1 54 54 ARG N N 15 115.964 0.300 . 1 . . . . 54 ARG N . 10240 1 610 . 1 1 54 54 ARG NE N 15 83.579 0.300 . 1 . . . . 54 ARG NE . 10240 1 611 . 1 1 55 55 GLY H H 1 8.719 0.030 . 1 . . . . 55 GLY H . 10240 1 612 . 1 1 55 55 GLY HA2 H 1 4.439 0.030 . 2 . . . . 55 GLY HA2 . 10240 1 613 . 1 1 55 55 GLY HA3 H 1 3.818 0.030 . 2 . . . . 55 GLY HA3 . 10240 1 614 . 1 1 55 55 GLY C C 13 167.507 0.300 . 1 . . . . 55 GLY C . 10240 1 615 . 1 1 55 55 GLY CA C 13 43.710 0.300 . 1 . . . . 55 GLY CA . 10240 1 616 . 1 1 55 55 GLY N N 15 107.956 0.300 . 1 . . . . 55 GLY N . 10240 1 617 . 1 1 56 56 VAL H H 1 8.906 0.030 . 1 . . . . 56 VAL H . 10240 1 618 . 1 1 56 56 VAL HA H 1 5.215 0.030 . 1 . . . . 56 VAL HA . 10240 1 619 . 1 1 56 56 VAL HB H 1 1.887 0.030 . 1 . . . . 56 VAL HB . 10240 1 620 . 1 1 56 56 VAL HG11 H 1 0.812 0.030 . 1 . . . . 56 VAL HG1 . 10240 1 621 . 1 1 56 56 VAL HG12 H 1 0.812 0.030 . 1 . . . . 56 VAL HG1 . 10240 1 622 . 1 1 56 56 VAL HG13 H 1 0.812 0.030 . 1 . . . . 56 VAL HG1 . 10240 1 623 . 1 1 56 56 VAL HG21 H 1 0.660 0.030 . 1 . . . . 56 VAL HG2 . 10240 1 624 . 1 1 56 56 VAL HG22 H 1 0.660 0.030 . 1 . . . . 56 VAL HG2 . 10240 1 625 . 1 1 56 56 VAL HG23 H 1 0.660 0.030 . 1 . . . . 56 VAL HG2 . 10240 1 626 . 1 1 56 56 VAL C C 13 173.343 0.300 . 1 . . . . 56 VAL C . 10240 1 627 . 1 1 56 56 VAL CA C 13 58.164 0.300 . 1 . . . . 56 VAL CA . 10240 1 628 . 1 1 56 56 VAL CB C 13 30.837 0.300 . 1 . . . . 56 VAL CB . 10240 1 629 . 1 1 56 56 VAL CG1 C 13 20.085 0.300 . 2 . . . . 56 VAL CG1 . 10240 1 630 . 1 1 56 56 VAL CG2 C 13 18.602 0.300 . 2 . . . . 56 VAL CG2 . 10240 1 631 . 1 1 56 56 VAL N N 15 118.849 0.300 . 1 . . . . 56 VAL N . 10240 1 632 . 1 1 57 57 CYS H H 1 9.175 0.030 . 1 . . . . 57 CYS H . 10240 1 633 . 1 1 57 57 CYS HA H 1 4.713 0.030 . 1 . . . . 57 CYS HA . 10240 1 634 . 1 1 57 57 CYS HB2 H 1 2.748 0.030 . 2 . . . . 57 CYS HB2 . 10240 1 635 . 1 1 57 57 CYS HB3 H 1 2.499 0.030 . 2 . . . . 57 CYS HB3 . 10240 1 636 . 1 1 57 57 CYS C C 13 173.209 0.300 . 1 . . . . 57 CYS C . 10240 1 637 . 1 1 57 57 CYS CA C 13 56.807 0.300 . 1 . . . . 57 CYS CA . 10240 1 638 . 1 1 57 57 CYS CB C 13 28.417 0.300 . 1 . . . . 57 CYS CB . 10240 1 639 . 1 1 57 57 CYS N N 15 125.120 0.300 . 1 . . . . 57 CYS N . 10240 1 640 . 1 1 58 58 LYS H H 1 9.810 0.030 . 1 . . . . 58 LYS H . 10240 1 641 . 1 1 58 58 LYS HA H 1 3.879 0.030 . 1 . . . . 58 LYS HA . 10240 1 642 . 1 1 58 58 LYS HB2 H 1 1.901 0.030 . 1 . . . . 58 LYS HB2 . 10240 1 643 . 1 1 58 58 LYS HB3 H 1 1.901 0.030 . 1 . . . . 58 LYS HB3 . 10240 1 644 . 1 1 58 58 LYS HD2 H 1 1.695 0.030 . 1 . . . . 58 LYS HD2 . 10240 1 645 . 1 1 58 58 LYS HD3 H 1 1.695 0.030 . 1 . . . . 58 LYS HD3 . 10240 1 646 . 1 1 58 58 LYS HE2 H 1 2.959 0.030 . 2 . . . . 58 LYS HE2 . 10240 1 647 . 1 1 58 58 LYS HE3 H 1 2.911 0.030 . 2 . . . . 58 LYS HE3 . 10240 1 648 . 1 1 58 58 LYS HG2 H 1 1.819 0.030 . 2 . . . . 58 LYS HG2 . 10240 1 649 . 1 1 58 58 LYS HG3 H 1 1.442 0.030 . 2 . . . . 58 LYS HG3 . 10240 1 650 . 1 1 58 58 LYS C C 13 174.385 0.300 . 1 . . . . 58 LYS C . 10240 1 651 . 1 1 58 58 LYS CA C 13 55.767 0.300 . 1 . . . . 58 LYS CA . 10240 1 652 . 1 1 58 58 LYS CB C 13 27.088 0.300 . 1 . . . . 58 LYS CB . 10240 1 653 . 1 1 58 58 LYS CD C 13 27.125 0.300 . 1 . . . . 58 LYS CD . 10240 1 654 . 1 1 58 58 LYS CE C 13 39.782 0.300 . 1 . . . . 58 LYS CE . 10240 1 655 . 1 1 58 58 LYS CG C 13 23.381 0.300 . 1 . . . . 58 LYS CG . 10240 1 656 . 1 1 58 58 LYS N N 15 130.846 0.300 . 1 . . . . 58 LYS N . 10240 1 657 . 1 1 59 59 GLY H H 1 8.519 0.030 . 1 . . . . 59 GLY H . 10240 1 658 . 1 1 59 59 GLY HA2 H 1 4.065 0.030 . 2 . . . . 59 GLY HA2 . 10240 1 659 . 1 1 59 59 GLY HA3 H 1 3.503 0.030 . 2 . . . . 59 GLY HA3 . 10240 1 660 . 1 1 59 59 GLY C C 13 171.288 0.300 . 1 . . . . 59 GLY C . 10240 1 661 . 1 1 59 59 GLY CA C 13 43.111 0.300 . 1 . . . . 59 GLY CA . 10240 1 662 . 1 1 59 59 GLY N N 15 103.055 0.300 . 1 . . . . 59 GLY N . 10240 1 663 . 1 1 60 60 ARG H H 1 7.699 0.030 . 1 . . . . 60 ARG H . 10240 1 664 . 1 1 60 60 ARG HA H 1 4.683 0.030 . 1 . . . . 60 ARG HA . 10240 1 665 . 1 1 60 60 ARG HB2 H 1 1.933 0.030 . 2 . . . . 60 ARG HB2 . 10240 1 666 . 1 1 60 60 ARG HB3 H 1 1.837 0.030 . 2 . . . . 60 ARG HB3 . 10240 1 667 . 1 1 60 60 ARG HD2 H 1 3.306 0.030 . 2 . . . . 60 ARG HD2 . 10240 1 668 . 1 1 60 60 ARG HD3 H 1 3.262 0.030 . 2 . . . . 60 ARG HD3 . 10240 1 669 . 1 1 60 60 ARG HG2 H 1 1.746 0.030 . 2 . . . . 60 ARG HG2 . 10240 1 670 . 1 1 60 60 ARG HG3 H 1 1.590 0.030 . 2 . . . . 60 ARG HG3 . 10240 1 671 . 1 1 60 60 ARG C C 13 170.656 0.300 . 1 . . . . 60 ARG C . 10240 1 672 . 1 1 60 60 ARG CA C 13 52.242 0.300 . 1 . . . . 60 ARG CA . 10240 1 673 . 1 1 60 60 ARG CB C 13 29.959 0.300 . 1 . . . . 60 ARG CB . 10240 1 674 . 1 1 60 60 ARG CD C 13 40.903 0.300 . 1 . . . . 60 ARG CD . 10240 1 675 . 1 1 60 60 ARG CG C 13 25.195 0.300 . 1 . . . . 60 ARG CG . 10240 1 676 . 1 1 60 60 ARG N N 15 120.711 0.300 . 1 . . . . 60 ARG N . 10240 1 677 . 1 1 61 61 TYR H H 1 8.416 0.030 . 1 . . . . 61 TYR H . 10240 1 678 . 1 1 61 61 TYR HA H 1 5.594 0.030 . 1 . . . . 61 TYR HA . 10240 1 679 . 1 1 61 61 TYR HB2 H 1 2.884 0.030 . 2 . . . . 61 TYR HB2 . 10240 1 680 . 1 1 61 61 TYR HB3 H 1 2.743 0.030 . 2 . . . . 61 TYR HB3 . 10240 1 681 . 1 1 61 61 TYR HD1 H 1 6.941 0.030 . 1 . . . . 61 TYR HD1 . 10240 1 682 . 1 1 61 61 TYR HD2 H 1 6.941 0.030 . 1 . . . . 61 TYR HD2 . 10240 1 683 . 1 1 61 61 TYR HE1 H 1 6.692 0.030 . 1 . . . . 61 TYR HE1 . 10240 1 684 . 1 1 61 61 TYR HE2 H 1 6.692 0.030 . 1 . . . . 61 TYR HE2 . 10240 1 685 . 1 1 61 61 TYR C C 13 173.399 0.300 . 1 . . . . 61 TYR C . 10240 1 686 . 1 1 61 61 TYR CA C 13 52.528 0.300 . 1 . . . . 61 TYR CA . 10240 1 687 . 1 1 61 61 TYR CB C 13 39.202 0.300 . 1 . . . . 61 TYR CB . 10240 1 688 . 1 1 61 61 TYR CD1 C 13 131.047 0.300 . 1 . . . . 61 TYR CD1 . 10240 1 689 . 1 1 61 61 TYR CD2 C 13 131.047 0.300 . 1 . . . . 61 TYR CD2 . 10240 1 690 . 1 1 61 61 TYR CE1 C 13 115.445 0.300 . 1 . . . . 61 TYR CE1 . 10240 1 691 . 1 1 61 61 TYR CE2 C 13 115.445 0.300 . 1 . . . . 61 TYR CE2 . 10240 1 692 . 1 1 61 61 TYR N N 15 122.877 0.300 . 1 . . . . 61 TYR N . 10240 1 693 . 1 1 62 62 GLY H H 1 8.485 0.030 . 1 . . . . 62 GLY H . 10240 1 694 . 1 1 62 62 GLY HA2 H 1 3.966 0.030 . 2 . . . . 62 GLY HA2 . 10240 1 695 . 1 1 62 62 GLY HA3 H 1 3.592 0.030 . 2 . . . . 62 GLY HA3 . 10240 1 696 . 1 1 62 62 GLY C C 13 168.498 0.300 . 1 . . . . 62 GLY C . 10240 1 697 . 1 1 62 62 GLY CA C 13 43.217 0.300 . 1 . . . . 62 GLY CA . 10240 1 698 . 1 1 62 62 GLY N N 15 113.300 0.300 . 1 . . . . 62 GLY N . 10240 1 699 . 1 1 63 63 LEU H H 1 8.800 0.030 . 1 . . . . 63 LEU H . 10240 1 700 . 1 1 63 63 LEU HA H 1 5.323 0.030 . 1 . . . . 63 LEU HA . 10240 1 701 . 1 1 63 63 LEU HB2 H 1 1.643 0.030 . 2 . . . . 63 LEU HB2 . 10240 1 702 . 1 1 63 63 LEU HB3 H 1 1.567 0.030 . 2 . . . . 63 LEU HB3 . 10240 1 703 . 1 1 63 63 LEU HD11 H 1 0.624 0.030 . 1 . . . . 63 LEU HD1 . 10240 1 704 . 1 1 63 63 LEU HD12 H 1 0.624 0.030 . 1 . . . . 63 LEU HD1 . 10240 1 705 . 1 1 63 63 LEU HD13 H 1 0.624 0.030 . 1 . . . . 63 LEU HD1 . 10240 1 706 . 1 1 63 63 LEU HD21 H 1 0.686 0.030 . 1 . . . . 63 LEU HD2 . 10240 1 707 . 1 1 63 63 LEU HD22 H 1 0.686 0.030 . 1 . . . . 63 LEU HD2 . 10240 1 708 . 1 1 63 63 LEU HD23 H 1 0.686 0.030 . 1 . . . . 63 LEU HD2 . 10240 1 709 . 1 1 63 63 LEU HG H 1 1.553 0.030 . 1 . . . . 63 LEU HG . 10240 1 710 . 1 1 63 63 LEU C C 13 174.709 0.300 . 1 . . . . 63 LEU C . 10240 1 711 . 1 1 63 63 LEU CA C 13 52.788 0.300 . 1 . . . . 63 LEU CA . 10240 1 712 . 1 1 63 63 LEU CB C 13 43.912 0.300 . 1 . . . . 63 LEU CB . 10240 1 713 . 1 1 63 63 LEU CD1 C 13 23.409 0.300 . 2 . . . . 63 LEU CD1 . 10240 1 714 . 1 1 63 63 LEU CD2 C 13 22.026 0.300 . 2 . . . . 63 LEU CD2 . 10240 1 715 . 1 1 63 63 LEU CG C 13 25.694 0.300 . 1 . . . . 63 LEU CG . 10240 1 716 . 1 1 63 63 LEU N N 15 120.081 0.300 . 1 . . . . 63 LEU N . 10240 1 717 . 1 1 64 64 PHE H H 1 8.767 0.030 . 1 . . . . 64 PHE H . 10240 1 718 . 1 1 64 64 PHE HA H 1 4.657 0.030 . 1 . . . . 64 PHE HA . 10240 1 719 . 1 1 64 64 PHE HB2 H 1 3.150 0.030 . 2 . . . . 64 PHE HB2 . 10240 1 720 . 1 1 64 64 PHE HB3 H 1 2.519 0.030 . 2 . . . . 64 PHE HB3 . 10240 1 721 . 1 1 64 64 PHE HD1 H 1 6.778 0.030 . 1 . . . . 64 PHE HD1 . 10240 1 722 . 1 1 64 64 PHE HD2 H 1 6.778 0.030 . 1 . . . . 64 PHE HD2 . 10240 1 723 . 1 1 64 64 PHE HE1 H 1 7.154 0.030 . 1 . . . . 64 PHE HE1 . 10240 1 724 . 1 1 64 64 PHE HE2 H 1 7.154 0.030 . 1 . . . . 64 PHE HE2 . 10240 1 725 . 1 1 64 64 PHE HZ H 1 7.085 0.030 . 1 . . . . 64 PHE HZ . 10240 1 726 . 1 1 64 64 PHE C C 13 168.248 0.300 . 1 . . . . 64 PHE C . 10240 1 727 . 1 1 64 64 PHE CA C 13 53.440 0.300 . 1 . . . . 64 PHE CA . 10240 1 728 . 1 1 64 64 PHE CB C 13 36.632 0.300 . 1 . . . . 64 PHE CB . 10240 1 729 . 1 1 64 64 PHE CD1 C 13 131.839 0.300 . 1 . . . . 64 PHE CD1 . 10240 1 730 . 1 1 64 64 PHE CD2 C 13 131.839 0.300 . 1 . . . . 64 PHE CD2 . 10240 1 731 . 1 1 64 64 PHE CE1 C 13 131.816 0.300 . 1 . . . . 64 PHE CE1 . 10240 1 732 . 1 1 64 64 PHE CE2 C 13 131.816 0.300 . 1 . . . . 64 PHE CE2 . 10240 1 733 . 1 1 64 64 PHE CZ C 13 126.480 0.300 . 1 . . . . 64 PHE CZ . 10240 1 734 . 1 1 64 64 PHE N N 15 112.602 0.300 . 1 . . . . 64 PHE N . 10240 1 735 . 1 1 65 65 PRO HA H 1 3.310 0.030 . 1 . . . . 65 PRO HA . 10240 1 736 . 1 1 65 65 PRO HB2 H 1 1.191 0.030 . 2 . . . . 65 PRO HB2 . 10240 1 737 . 1 1 65 65 PRO HB3 H 1 0.841 0.030 . 2 . . . . 65 PRO HB3 . 10240 1 738 . 1 1 65 65 PRO HD2 H 1 2.205 0.030 . 2 . . . . 65 PRO HD2 . 10240 1 739 . 1 1 65 65 PRO HD3 H 1 2.138 0.030 . 2 . . . . 65 PRO HD3 . 10240 1 740 . 1 1 65 65 PRO HG2 H 1 0.604 0.030 . 2 . . . . 65 PRO HG2 . 10240 1 741 . 1 1 65 65 PRO HG3 H 1 0.338 0.030 . 2 . . . . 65 PRO HG3 . 10240 1 742 . 1 1 65 65 PRO C C 13 175.332 0.300 . 1 . . . . 65 PRO C . 10240 1 743 . 1 1 65 65 PRO CA C 13 58.764 0.300 . 1 . . . . 65 PRO CA . 10240 1 744 . 1 1 65 65 PRO CB C 13 27.966 0.300 . 1 . . . . 65 PRO CB . 10240 1 745 . 1 1 65 65 PRO CD C 13 47.120 0.300 . 1 . . . . 65 PRO CD . 10240 1 746 . 1 1 65 65 PRO CG C 13 25.276 0.300 . 1 . . . . 65 PRO CG . 10240 1 747 . 1 1 66 66 ALA H H 1 7.176 0.030 . 1 . . . . 66 ALA H . 10240 1 748 . 1 1 66 66 ALA HA H 1 2.544 0.030 . 1 . . . . 66 ALA HA . 10240 1 749 . 1 1 66 66 ALA HB1 H 1 -0.570 0.030 . 1 . . . . 66 ALA HB . 10240 1 750 . 1 1 66 66 ALA HB2 H 1 -0.570 0.030 . 1 . . . . 66 ALA HB . 10240 1 751 . 1 1 66 66 ALA HB3 H 1 -0.570 0.030 . 1 . . . . 66 ALA HB . 10240 1 752 . 1 1 66 66 ALA C C 13 175.538 0.300 . 1 . . . . 66 ALA C . 10240 1 753 . 1 1 66 66 ALA CA C 13 52.312 0.300 . 1 . . . . 66 ALA CA . 10240 1 754 . 1 1 66 66 ALA CB C 13 13.749 0.300 . 1 . . . . 66 ALA CB . 10240 1 755 . 1 1 66 66 ALA N N 15 127.505 0.300 . 1 . . . . 66 ALA N . 10240 1 756 . 1 1 67 67 ASN H H 1 7.927 0.030 . 1 . . . . 67 ASN H . 10240 1 757 . 1 1 67 67 ASN HA H 1 4.373 0.030 . 1 . . . . 67 ASN HA . 10240 1 758 . 1 1 67 67 ASN HB2 H 1 2.832 0.030 . 2 . . . . 67 ASN HB2 . 10240 1 759 . 1 1 67 67 ASN HB3 H 1 2.566 0.030 . 2 . . . . 67 ASN HB3 . 10240 1 760 . 1 1 67 67 ASN HD21 H 1 7.404 0.030 . 2 . . . . 67 ASN HD21 . 10240 1 761 . 1 1 67 67 ASN HD22 H 1 6.572 0.030 . 2 . . . . 67 ASN HD22 . 10240 1 762 . 1 1 67 67 ASN C C 13 173.154 0.300 . 1 . . . . 67 ASN C . 10240 1 763 . 1 1 67 67 ASN CA C 13 51.153 0.300 . 1 . . . . 67 ASN CA . 10240 1 764 . 1 1 67 67 ASN CB C 13 34.038 0.300 . 1 . . . . 67 ASN CB . 10240 1 765 . 1 1 67 67 ASN N N 15 108.079 0.300 . 1 . . . . 67 ASN N . 10240 1 766 . 1 1 67 67 ASN ND2 N 15 111.317 0.300 . 1 . . . . 67 ASN ND2 . 10240 1 767 . 1 1 68 68 TYR H H 1 7.732 0.030 . 1 . . . . 68 TYR H . 10240 1 768 . 1 1 68 68 TYR HA H 1 4.659 0.030 . 1 . . . . 68 TYR HA . 10240 1 769 . 1 1 68 68 TYR HB2 H 1 3.574 0.030 . 2 . . . . 68 TYR HB2 . 10240 1 770 . 1 1 68 68 TYR HB3 H 1 3.347 0.030 . 2 . . . . 68 TYR HB3 . 10240 1 771 . 1 1 68 68 TYR HD1 H 1 7.036 0.030 . 1 . . . . 68 TYR HD1 . 10240 1 772 . 1 1 68 68 TYR HD2 H 1 7.036 0.030 . 1 . . . . 68 TYR HD2 . 10240 1 773 . 1 1 68 68 TYR HE1 H 1 6.935 0.030 . 1 . . . . 68 TYR HE1 . 10240 1 774 . 1 1 68 68 TYR HE2 H 1 6.935 0.030 . 1 . . . . 68 TYR HE2 . 10240 1 775 . 1 1 68 68 TYR C C 13 172.404 0.300 . 1 . . . . 68 TYR C . 10240 1 776 . 1 1 68 68 TYR CA C 13 55.908 0.300 . 1 . . . . 68 TYR CA . 10240 1 777 . 1 1 68 68 TYR CB C 13 35.650 0.300 . 1 . . . . 68 TYR CB . 10240 1 778 . 1 1 68 68 TYR CD1 C 13 129.659 0.300 . 1 . . . . 68 TYR CD1 . 10240 1 779 . 1 1 68 68 TYR CD2 C 13 129.659 0.300 . 1 . . . . 68 TYR CD2 . 10240 1 780 . 1 1 68 68 TYR CE1 C 13 116.144 0.300 . 1 . . . . 68 TYR CE1 . 10240 1 781 . 1 1 68 68 TYR CE2 C 13 116.144 0.300 . 1 . . . . 68 TYR CE2 . 10240 1 782 . 1 1 68 68 TYR N N 15 119.396 0.300 . 1 . . . . 68 TYR N . 10240 1 783 . 1 1 69 69 VAL H H 1 7.278 0.030 . 1 . . . . 69 VAL H . 10240 1 784 . 1 1 69 69 VAL HA H 1 5.021 0.030 . 1 . . . . 69 VAL HA . 10240 1 785 . 1 1 69 69 VAL HB H 1 1.634 0.030 . 1 . . . . 69 VAL HB . 10240 1 786 . 1 1 69 69 VAL HG11 H 1 0.225 0.030 . 1 . . . . 69 VAL HG1 . 10240 1 787 . 1 1 69 69 VAL HG12 H 1 0.225 0.030 . 1 . . . . 69 VAL HG1 . 10240 1 788 . 1 1 69 69 VAL HG13 H 1 0.225 0.030 . 1 . . . . 69 VAL HG1 . 10240 1 789 . 1 1 69 69 VAL HG21 H 1 0.785 0.030 . 1 . . . . 69 VAL HG2 . 10240 1 790 . 1 1 69 69 VAL HG22 H 1 0.785 0.030 . 1 . . . . 69 VAL HG2 . 10240 1 791 . 1 1 69 69 VAL HG23 H 1 0.785 0.030 . 1 . . . . 69 VAL HG2 . 10240 1 792 . 1 1 69 69 VAL C C 13 170.923 0.300 . 1 . . . . 69 VAL C . 10240 1 793 . 1 1 69 69 VAL CA C 13 55.820 0.300 . 1 . . . . 69 VAL CA . 10240 1 794 . 1 1 69 69 VAL CB C 13 32.463 0.300 . 1 . . . . 69 VAL CB . 10240 1 795 . 1 1 69 69 VAL CG1 C 13 19.344 0.300 . 2 . . . . 69 VAL CG1 . 10240 1 796 . 1 1 69 69 VAL CG2 C 13 17.070 0.300 . 2 . . . . 69 VAL CG2 . 10240 1 797 . 1 1 69 69 VAL N N 15 109.136 0.300 . 1 . . . . 69 VAL N . 10240 1 798 . 1 1 70 70 GLU H H 1 8.728 0.030 . 1 . . . . 70 GLU H . 10240 1 799 . 1 1 70 70 GLU HA H 1 4.695 0.030 . 1 . . . . 70 GLU HA . 10240 1 800 . 1 1 70 70 GLU HB2 H 1 1.839 0.030 . 2 . . . . 70 GLU HB2 . 10240 1 801 . 1 1 70 70 GLU HB3 H 1 1.744 0.030 . 2 . . . . 70 GLU HB3 . 10240 1 802 . 1 1 70 70 GLU HG2 H 1 2.127 0.030 . 2 . . . . 70 GLU HG2 . 10240 1 803 . 1 1 70 70 GLU HG3 H 1 2.075 0.030 . 2 . . . . 70 GLU HG3 . 10240 1 804 . 1 1 70 70 GLU C C 13 173.760 0.300 . 1 . . . . 70 GLU C . 10240 1 805 . 1 1 70 70 GLU CA C 13 51.889 0.300 . 1 . . . . 70 GLU CA . 10240 1 806 . 1 1 70 70 GLU CB C 13 31.153 0.300 . 1 . . . . 70 GLU CB . 10240 1 807 . 1 1 70 70 GLU CG C 13 34.174 0.300 . 1 . . . . 70 GLU CG . 10240 1 808 . 1 1 70 70 GLU N N 15 119.997 0.300 . 1 . . . . 70 GLU N . 10240 1 809 . 1 1 71 71 LEU H H 1 8.959 0.030 . 1 . . . . 71 LEU H . 10240 1 810 . 1 1 71 71 LEU HA H 1 4.245 0.030 . 1 . . . . 71 LEU HA . 10240 1 811 . 1 1 71 71 LEU HB2 H 1 1.731 0.030 . 2 . . . . 71 LEU HB2 . 10240 1 812 . 1 1 71 71 LEU HB3 H 1 1.429 0.030 . 2 . . . . 71 LEU HB3 . 10240 1 813 . 1 1 71 71 LEU HD11 H 1 0.904 0.030 . 1 . . . . 71 LEU HD1 . 10240 1 814 . 1 1 71 71 LEU HD12 H 1 0.904 0.030 . 1 . . . . 71 LEU HD1 . 10240 1 815 . 1 1 71 71 LEU HD13 H 1 0.904 0.030 . 1 . . . . 71 LEU HD1 . 10240 1 816 . 1 1 71 71 LEU HD21 H 1 0.781 0.030 . 1 . . . . 71 LEU HD2 . 10240 1 817 . 1 1 71 71 LEU HD22 H 1 0.781 0.030 . 1 . . . . 71 LEU HD2 . 10240 1 818 . 1 1 71 71 LEU HD23 H 1 0.781 0.030 . 1 . . . . 71 LEU HD2 . 10240 1 819 . 1 1 71 71 LEU HG H 1 1.864 0.030 . 1 . . . . 71 LEU HG . 10240 1 820 . 1 1 71 71 LEU C C 13 175.157 0.300 . 1 . . . . 71 LEU C . 10240 1 821 . 1 1 71 71 LEU CA C 13 54.022 0.300 . 1 . . . . 71 LEU CA . 10240 1 822 . 1 1 71 71 LEU CB C 13 40.285 0.300 . 1 . . . . 71 LEU CB . 10240 1 823 . 1 1 71 71 LEU CD1 C 13 23.325 0.300 . 2 . . . . 71 LEU CD1 . 10240 1 824 . 1 1 71 71 LEU CD2 C 13 21.498 0.300 . 2 . . . . 71 LEU CD2 . 10240 1 825 . 1 1 71 71 LEU CG C 13 24.946 0.300 . 1 . . . . 71 LEU CG . 10240 1 826 . 1 1 71 71 LEU N N 15 127.356 0.300 . 1 . . . . 71 LEU N . 10240 1 827 . 1 1 72 72 ARG H H 1 8.374 0.030 . 1 . . . . 72 ARG H . 10240 1 828 . 1 1 72 72 ARG HA H 1 4.340 0.030 . 1 . . . . 72 ARG HA . 10240 1 829 . 1 1 72 72 ARG HB2 H 1 1.634 0.030 . 1 . . . . 72 ARG HB2 . 10240 1 830 . 1 1 72 72 ARG HB3 H 1 1.634 0.030 . 1 . . . . 72 ARG HB3 . 10240 1 831 . 1 1 72 72 ARG HD2 H 1 2.981 0.030 . 1 . . . . 72 ARG HD2 . 10240 1 832 . 1 1 72 72 ARG HD3 H 1 2.981 0.030 . 1 . . . . 72 ARG HD3 . 10240 1 833 . 1 1 72 72 ARG HE H 1 7.148 0.030 . 1 . . . . 72 ARG HE . 10240 1 834 . 1 1 72 72 ARG HG2 H 1 1.478 0.030 . 1 . . . . 72 ARG HG2 . 10240 1 835 . 1 1 72 72 ARG HG3 H 1 1.478 0.030 . 1 . . . . 72 ARG HG3 . 10240 1 836 . 1 1 72 72 ARG C C 13 173.738 0.300 . 1 . . . . 72 ARG C . 10240 1 837 . 1 1 72 72 ARG CA C 13 53.688 0.300 . 1 . . . . 72 ARG CA . 10240 1 838 . 1 1 72 72 ARG CB C 13 28.695 0.300 . 1 . . . . 72 ARG CB . 10240 1 839 . 1 1 72 72 ARG CD C 13 41.424 0.300 . 1 . . . . 72 ARG CD . 10240 1 840 . 1 1 72 72 ARG CG C 13 24.942 0.300 . 1 . . . . 72 ARG CG . 10240 1 841 . 1 1 72 72 ARG N N 15 122.244 0.300 . 1 . . . . 72 ARG N . 10240 1 842 . 1 1 72 72 ARG NE N 15 83.093 0.300 . 1 . . . . 72 ARG NE . 10240 1 843 . 1 1 73 73 GLN H H 1 8.486 0.030 . 1 . . . . 73 GLN H . 10240 1 844 . 1 1 73 73 GLN HA H 1 4.343 0.030 . 1 . . . . 73 GLN HA . 10240 1 845 . 1 1 73 73 GLN HB2 H 1 2.039 0.030 . 2 . . . . 73 GLN HB2 . 10240 1 846 . 1 1 73 73 GLN HB3 H 1 1.899 0.030 . 2 . . . . 73 GLN HB3 . 10240 1 847 . 1 1 73 73 GLN HE21 H 1 7.508 0.030 . 2 . . . . 73 GLN HE21 . 10240 1 848 . 1 1 73 73 GLN HE22 H 1 6.786 0.030 . 2 . . . . 73 GLN HE22 . 10240 1 849 . 1 1 73 73 GLN HG2 H 1 2.262 0.030 . 1 . . . . 73 GLN HG2 . 10240 1 850 . 1 1 73 73 GLN HG3 H 1 2.262 0.030 . 1 . . . . 73 GLN HG3 . 10240 1 851 . 1 1 73 73 GLN C C 13 173.358 0.300 . 1 . . . . 73 GLN C . 10240 1 852 . 1 1 73 73 GLN CA C 13 53.370 0.300 . 1 . . . . 73 GLN CA . 10240 1 853 . 1 1 73 73 GLN CB C 13 27.361 0.300 . 1 . . . . 73 GLN CB . 10240 1 854 . 1 1 73 73 GLN CG C 13 31.449 0.300 . 1 . . . . 73 GLN CG . 10240 1 855 . 1 1 73 73 GLN N N 15 122.532 0.300 . 1 . . . . 73 GLN N . 10240 1 856 . 1 1 73 73 GLN NE2 N 15 112.231 0.300 . 1 . . . . 73 GLN NE2 . 10240 1 857 . 1 1 74 74 SER H H 1 8.413 0.030 . 1 . . . . 74 SER H . 10240 1 858 . 1 1 74 74 SER HA H 1 4.393 0.030 . 1 . . . . 74 SER HA . 10240 1 859 . 1 1 74 74 SER HB2 H 1 3.764 0.030 . 1 . . . . 74 SER HB2 . 10240 1 860 . 1 1 74 74 SER HB3 H 1 3.764 0.030 . 1 . . . . 74 SER HB3 . 10240 1 861 . 1 1 74 74 SER C C 13 172.094 0.300 . 1 . . . . 74 SER C . 10240 1 862 . 1 1 74 74 SER CA C 13 55.996 0.300 . 1 . . . . 74 SER CA . 10240 1 863 . 1 1 74 74 SER CB C 13 61.649 0.300 . 1 . . . . 74 SER CB . 10240 1 864 . 1 1 74 74 SER N N 15 117.727 0.300 . 1 . . . . 74 SER N . 10240 1 865 . 1 1 75 75 GLY H H 1 8.200 0.030 . 1 . . . . 75 GLY H . 10240 1 866 . 1 1 75 75 GLY HA2 H 1 4.031 0.030 . 2 . . . . 75 GLY HA2 . 10240 1 867 . 1 1 75 75 GLY HA3 H 1 3.972 0.030 . 2 . . . . 75 GLY HA3 . 10240 1 868 . 1 1 75 75 GLY C C 13 169.340 0.300 . 1 . . . . 75 GLY C . 10240 1 869 . 1 1 75 75 GLY CA C 13 42.265 0.300 . 1 . . . . 75 GLY CA . 10240 1 870 . 1 1 75 75 GLY N N 15 110.297 0.300 . 1 . . . . 75 GLY N . 10240 1 871 . 1 1 76 76 PRO HA H 1 4.362 0.030 . 1 . . . . 76 PRO HA . 10240 1 872 . 1 1 76 76 PRO HB2 H 1 2.179 0.030 . 2 . . . . 76 PRO HB2 . 10240 1 873 . 1 1 76 76 PRO HB3 H 1 1.868 0.030 . 2 . . . . 76 PRO HB3 . 10240 1 874 . 1 1 76 76 PRO HD2 H 1 3.512 0.030 . 2 . . . . 76 PRO HD2 . 10240 1 875 . 1 1 76 76 PRO HD3 H 1 3.487 0.030 . 2 . . . . 76 PRO HD3 . 10240 1 876 . 1 1 76 76 PRO HG2 H 1 1.900 0.030 . 1 . . . . 76 PRO HG2 . 10240 1 877 . 1 1 76 76 PRO HG3 H 1 1.900 0.030 . 1 . . . . 76 PRO HG3 . 10240 1 878 . 1 1 76 76 PRO C C 13 175.016 0.300 . 1 . . . . 76 PRO C . 10240 1 879 . 1 1 76 76 PRO CA C 13 60.808 0.300 . 1 . . . . 76 PRO CA . 10240 1 880 . 1 1 76 76 PRO CB C 13 29.839 0.300 . 1 . . . . 76 PRO CB . 10240 1 881 . 1 1 76 76 PRO CD C 13 47.411 0.300 . 1 . . . . 76 PRO CD . 10240 1 882 . 1 1 76 76 PRO CG C 13 24.796 0.300 . 1 . . . . 76 PRO CG . 10240 1 883 . 1 1 77 77 SER H H 1 8.443 0.030 . 1 . . . . 77 SER H . 10240 1 884 . 1 1 77 77 SER C C 13 172.326 0.300 . 1 . . . . 77 SER C . 10240 1 885 . 1 1 77 77 SER CA C 13 55.943 0.300 . 1 . . . . 77 SER CA . 10240 1 886 . 1 1 77 77 SER CB C 13 61.775 0.300 . 1 . . . . 77 SER CB . 10240 1 887 . 1 1 77 77 SER N N 15 116.076 0.300 . 1 . . . . 77 SER N . 10240 1 888 . 1 1 79 79 GLY HA2 H 1 3.979 0.030 . 2 . . . . 79 GLY HA2 . 10240 1 889 . 1 1 79 79 GLY HA3 H 1 3.654 0.030 . 2 . . . . 79 GLY HA3 . 10240 1 890 . 1 1 79 79 GLY CA C 13 41.947 0.300 . 1 . . . . 79 GLY CA . 10240 1 stop_ save_