data_6261 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6261 _Entry.Title ; NMR STRUCTURE OF THE SH3 DOMAIN OF HUMAN LYN TYROSINE KINASE ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2004-07-13 _Entry.Accession_date 2004-07-13 _Entry.Last_release_date 2005-10-17 _Entry.Original_release_date 2005-10-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _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 Finn Bauer . . . 6261 2 Kristian Schweimer . . . 6261 3 Silke Hoffmann . . . 6261 4 Paul Roesch . . . 6261 5 Heinrich Sticht . . . 6261 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6261 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 495 6261 '13C chemical shifts' 275 6261 '15N chemical shifts' 67 6261 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 . . 2005-10-17 2004-07-13 original author . 6261 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6261 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16155203 _Citation.Full_citation . _Citation.Title ; Structural characterization of Lyn-SH3 domain in complex with a herpesviral protein reveals an extended recognition motif that enhances binding affinity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2487 _Citation.Page_last 2498 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Finn Bauer . . . 6261 1 2 Kristian Schweimer . . . 6261 1 3 Heike Meiselbach . . . 6261 1 4 Silke Hoffmann . . . 6261 1 5 Paul Roesch . . . 6261 1 6 Heinrich Sticht . . . 6261 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 6261 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Johnson, B. A. and Blevins R. A. (1994) NMRView: A computer program for the visualization and analysis of NMR data, J. Biomol. NMR 4, 603-614. ; _Citation.Title . _Citation.Status . _Citation.Type . _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 . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_LynSH3 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_LynSH3 _Assembly.Entry_ID 6261 _Assembly.ID 1 _Assembly.Name 'SH3 domain of Lyn Tyrosine Kinase' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 2.7.1.112 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6261 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'LynSH3 monomer' 1 $LynSH3_monomer . . . native . . . . . 6261 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 1W1F . . . . . . 6261 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'SH3 domain of Lyn Tyrosine Kinase' system 6261 1 LynSH3 abbreviation 6261 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LynSH3_monomer _Entity.Sf_category entity _Entity.Sf_framecode LynSH3_monomer _Entity.Entry_ID 6261 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 domain of the Lyn kinase' _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 ; GPLGSPEEQGDIVVALYPYD GIHPDDLSFKKGEKMKVLEE HGEWWKAKSLLTKKEGFIPS NYVAKLNT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1W1F . "Sh3 Domain Of Human Lyn Tyrosine Kinase" . . . . . 95.59 65 100.00 100.00 1.83e-38 . . . . 6261 1 2 no PDB 1WA7 . "Sh3 Domain Of Human Lyn Tyrosine Kinase In Complex With A Herpesviral Ligand" . . . . . 95.59 65 100.00 100.00 1.83e-38 . . . . 6261 1 3 no DBJ BAF83183 . "unnamed protein product [Homo sapiens]" . . . . . 92.65 512 100.00 100.00 1.13e-34 . . . . 6261 1 4 no DBJ BAG60841 . "unnamed protein product [Homo sapiens]" . . . . . 50.00 423 100.00 100.00 5.10e-13 . . . . 6261 1 5 no DBJ BAI45692 . "v-yes-1 Yamaguchi sarcoma viral related oncogene homolog [synthetic construct]" . . . . . 92.65 491 100.00 100.00 1.37e-34 . . . . 6261 1 6 no GB AAA59540 . "lyn tyrosine kinase [Homo sapiens]" . . . . . 92.65 512 100.00 100.00 1.16e-34 . . . . 6261 1 7 no GB AAB50019 . "Lyn B protein [Homo sapiens]" . . . . . 92.65 491 100.00 100.00 1.37e-34 . . . . 6261 1 8 no GB AAH59394 . "LYN protein, partial [Homo sapiens]" . . . . . 92.65 582 100.00 100.00 1.89e-34 . . . . 6261 1 9 no GB AAH68551 . "LYN protein, partial [Homo sapiens]" . . . . . 92.65 582 100.00 100.00 1.89e-34 . . . . 6261 1 10 no GB AAH75001 . "V-yes-1 Yamaguchi sarcoma viral related oncogene homolog [Homo sapiens]" . . . . . 92.65 512 100.00 100.00 1.16e-34 . . . . 6261 1 11 no PRF 2006286C . "protein Tyr kinase LYN" . . . . . 92.65 491 100.00 100.00 1.37e-34 . . . . 6261 1 12 no REF NP_001104567 . "tyrosine-protein kinase Lyn isoform B [Homo sapiens]" . . . . . 92.65 491 100.00 100.00 1.37e-34 . . . . 6261 1 13 no REF NP_002341 . "tyrosine-protein kinase Lyn isoform A [Homo sapiens]" . . . . . 92.65 512 100.00 100.00 1.16e-34 . . . . 6261 1 14 no REF XP_001087049 . "PREDICTED: tyrosine-protein kinase Lyn isoform 1 [Macaca mulatta]" . . . . . 92.65 512 100.00 100.00 1.35e-34 . . . . 6261 1 15 no REF XP_002805388 . "PREDICTED: tyrosine-protein kinase Lyn isoform 2 [Macaca mulatta]" . . . . . 92.65 512 100.00 100.00 1.35e-34 . . . . 6261 1 16 no REF XP_002805389 . "PREDICTED: tyrosine-protein kinase Lyn isoform 3 [Macaca mulatta]" . . . . . 92.65 512 100.00 100.00 1.35e-34 . . . . 6261 1 17 no SP P07948 . "RecName: Full=Tyrosine-protein kinase Lyn; AltName: Full=Lck/Yes-related novel protein tyrosine kinase; AltName: Full=V-yes-1 Y" . . . . . 92.65 512 100.00 100.00 1.16e-34 . . . . 6261 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain of the Lyn kinase' common 6261 1 LynSH3 abbreviation 6261 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 . 6261 1 2 . PRO . 6261 1 3 . LEU . 6261 1 4 . GLY . 6261 1 5 . SER . 6261 1 6 . PRO . 6261 1 7 . GLU . 6261 1 8 . GLU . 6261 1 9 . GLN . 6261 1 10 . GLY . 6261 1 11 . ASP . 6261 1 12 . ILE . 6261 1 13 . VAL . 6261 1 14 . VAL . 6261 1 15 . ALA . 6261 1 16 . LEU . 6261 1 17 . TYR . 6261 1 18 . PRO . 6261 1 19 . TYR . 6261 1 20 . ASP . 6261 1 21 . GLY . 6261 1 22 . ILE . 6261 1 23 . HIS . 6261 1 24 . PRO . 6261 1 25 . ASP . 6261 1 26 . ASP . 6261 1 27 . LEU . 6261 1 28 . SER . 6261 1 29 . PHE . 6261 1 30 . LYS . 6261 1 31 . LYS . 6261 1 32 . GLY . 6261 1 33 . GLU . 6261 1 34 . LYS . 6261 1 35 . MET . 6261 1 36 . LYS . 6261 1 37 . VAL . 6261 1 38 . LEU . 6261 1 39 . GLU . 6261 1 40 . GLU . 6261 1 41 . HIS . 6261 1 42 . GLY . 6261 1 43 . GLU . 6261 1 44 . TRP . 6261 1 45 . TRP . 6261 1 46 . LYS . 6261 1 47 . ALA . 6261 1 48 . LYS . 6261 1 49 . SER . 6261 1 50 . LEU . 6261 1 51 . LEU . 6261 1 52 . THR . 6261 1 53 . LYS . 6261 1 54 . LYS . 6261 1 55 . GLU . 6261 1 56 . GLY . 6261 1 57 . PHE . 6261 1 58 . ILE . 6261 1 59 . PRO . 6261 1 60 . SER . 6261 1 61 . ASN . 6261 1 62 . TYR . 6261 1 63 . VAL . 6261 1 64 . ALA . 6261 1 65 . LYS . 6261 1 66 . LEU . 6261 1 67 . ASN . 6261 1 68 . THR . 6261 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 6261 1 . PRO 2 2 6261 1 . LEU 3 3 6261 1 . GLY 4 4 6261 1 . SER 5 5 6261 1 . PRO 6 6 6261 1 . GLU 7 7 6261 1 . GLU 8 8 6261 1 . GLN 9 9 6261 1 . GLY 10 10 6261 1 . ASP 11 11 6261 1 . ILE 12 12 6261 1 . VAL 13 13 6261 1 . VAL 14 14 6261 1 . ALA 15 15 6261 1 . LEU 16 16 6261 1 . TYR 17 17 6261 1 . PRO 18 18 6261 1 . TYR 19 19 6261 1 . ASP 20 20 6261 1 . GLY 21 21 6261 1 . ILE 22 22 6261 1 . HIS 23 23 6261 1 . PRO 24 24 6261 1 . ASP 25 25 6261 1 . ASP 26 26 6261 1 . LEU 27 27 6261 1 . SER 28 28 6261 1 . PHE 29 29 6261 1 . LYS 30 30 6261 1 . LYS 31 31 6261 1 . GLY 32 32 6261 1 . GLU 33 33 6261 1 . LYS 34 34 6261 1 . MET 35 35 6261 1 . LYS 36 36 6261 1 . VAL 37 37 6261 1 . LEU 38 38 6261 1 . GLU 39 39 6261 1 . GLU 40 40 6261 1 . HIS 41 41 6261 1 . GLY 42 42 6261 1 . GLU 43 43 6261 1 . TRP 44 44 6261 1 . TRP 45 45 6261 1 . LYS 46 46 6261 1 . ALA 47 47 6261 1 . LYS 48 48 6261 1 . SER 49 49 6261 1 . LEU 50 50 6261 1 . LEU 51 51 6261 1 . THR 52 52 6261 1 . LYS 53 53 6261 1 . LYS 54 54 6261 1 . GLU 55 55 6261 1 . GLY 56 56 6261 1 . PHE 57 57 6261 1 . ILE 58 58 6261 1 . PRO 59 59 6261 1 . SER 60 60 6261 1 . ASN 61 61 6261 1 . TYR 62 62 6261 1 . VAL 63 63 6261 1 . ALA 64 64 6261 1 . LYS 65 65 6261 1 . LEU 66 66 6261 1 . ASN 67 67 6261 1 . THR 68 68 6261 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 6261 _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 $LynSH3_monomer . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . intracellular . . . . . . . . 6261 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 6261 _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 $LynSH3_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6261 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6261 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SH3 domain of the Lyn kinase' '[U-99% 13C; U-98% 15N]' . . 1 $LynSH3_monomer . . 1.5 . . mM . . . . 6261 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6261 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.4 0.1 pH 6261 1 temperature 298 1 K 6261 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 6261 _Software.ID 1 _Software.Name NMRview _Software.Version 5.0.4 _Software.Details . loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref_1 6261 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6261 _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_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6261 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 6261 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6261 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 800 . . . 6261 1 2 NMR_spectrometer_2 Bruker Avance . 700 . . . 6261 1 3 NMR_spectrometer_3 Bruker Avance . 600 . . . 6261 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 6261 _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 '1H-13C NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6261 1 2 '1H-15N NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6261 1 3 CBCACONH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6261 1 4 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6261 1 5 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6261 1 6 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6261 1 7 CCONH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6261 1 8 HNHA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6261 1 9 HCCHTOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6261 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6261 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRview _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6261 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRview _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6261 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRview _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6261 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRview _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6261 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRview _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6261 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRview _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6261 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRview _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6261 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRview _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6261 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HCCHTOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRview _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6261 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6261 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6261 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6261 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6261 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6261 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 3.94 0.02 . 1 . . . . . . . . 6261 1 2 . 1 1 1 1 GLY HA3 H 1 3.94 0.02 . 1 . . . . . . . . 6261 1 3 . 1 1 1 1 GLY CA C 13 43.49 0.2 . 1 . . . . . . . . 6261 1 4 . 1 1 2 2 PRO HA H 1 4.45 0.02 . 1 . . . . . . . . 6261 1 5 . 1 1 2 2 PRO HB2 H 1 1.93 0.02 . 2 . . . . . . . . 6261 1 6 . 1 1 2 2 PRO HB3 H 1 2.30 0.02 . 2 . . . . . . . . 6261 1 7 . 1 1 2 2 PRO HG2 H 1 1.99 0.02 . 1 . . . . . . . . 6261 1 8 . 1 1 2 2 PRO HG3 H 1 1.99 0.02 . 1 . . . . . . . . 6261 1 9 . 1 1 2 2 PRO HD2 H 1 3.54 0.02 . 1 . . . . . . . . 6261 1 10 . 1 1 2 2 PRO HD3 H 1 3.54 0.02 . 1 . . . . . . . . 6261 1 11 . 1 1 2 2 PRO CA C 13 63.17 0.2 . 1 . . . . . . . . 6261 1 12 . 1 1 2 2 PRO CB C 13 32.35 0.2 . 1 . . . . . . . . 6261 1 13 . 1 1 2 2 PRO CG C 13 27.08 0.2 . 1 . . . . . . . . 6261 1 14 . 1 1 2 2 PRO CD C 13 49.67 0.2 . 1 . . . . . . . . 6261 1 15 . 1 1 3 3 LEU H H 1 8.51 0.02 . 1 . . . . . . . . 6261 1 16 . 1 1 3 3 LEU HA H 1 4.32 0.02 . 1 . . . . . . . . 6261 1 17 . 1 1 3 3 LEU HB2 H 1 1.59 0.02 . 2 . . . . . . . . 6261 1 18 . 1 1 3 3 LEU HB3 H 1 1.66 0.02 . 2 . . . . . . . . 6261 1 19 . 1 1 3 3 LEU HG H 1 1.55 0.02 . 1 . . . . . . . . 6261 1 20 . 1 1 3 3 LEU HD11 H 1 0.88 0.02 . 1 . . . . . . . . 6261 1 21 . 1 1 3 3 LEU HD12 H 1 0.88 0.02 . 1 . . . . . . . . 6261 1 22 . 1 1 3 3 LEU HD13 H 1 0.88 0.02 . 1 . . . . . . . . 6261 1 23 . 1 1 3 3 LEU HD21 H 1 0.88 0.02 . 1 . . . . . . . . 6261 1 24 . 1 1 3 3 LEU HD22 H 1 0.88 0.02 . 1 . . . . . . . . 6261 1 25 . 1 1 3 3 LEU HD23 H 1 0.88 0.02 . 1 . . . . . . . . 6261 1 26 . 1 1 3 3 LEU CA C 13 55.42 0.2 . 1 . . . . . . . . 6261 1 27 . 1 1 3 3 LEU CB C 13 42.23 0.2 . 1 . . . . . . . . 6261 1 28 . 1 1 3 3 LEU CG C 13 27.13 0.2 . 1 . . . . . . . . 6261 1 29 . 1 1 3 3 LEU CD1 C 13 25.55 0.2 . 2 . . . . . . . . 6261 1 30 . 1 1 3 3 LEU N N 15 122.26 0.2 . 1 . . . . . . . . 6261 1 31 . 1 1 3 3 LEU C C 13 176.92 0.2 . 1 . . . . . . . . 6261 1 32 . 1 1 4 4 GLY H H 1 8.38 0.02 . 1 . . . . . . . . 6261 1 33 . 1 1 4 4 GLY HA2 H 1 3.95 0.02 . 1 . . . . . . . . 6261 1 34 . 1 1 4 4 GLY HA3 H 1 3.95 0.02 . 1 . . . . . . . . 6261 1 35 . 1 1 4 4 GLY CA C 13 45.10 0.2 . 1 . . . . . . . . 6261 1 36 . 1 1 4 4 GLY N N 15 109.87 0.2 . 1 . . . . . . . . 6261 1 37 . 1 1 4 4 GLY C C 13 177.93 0.2 . 1 . . . . . . . . 6261 1 38 . 1 1 5 5 SER H H 1 8.18 0.02 . 1 . . . . . . . . 6261 1 39 . 1 1 5 5 SER HA H 1 4.77 0.02 . 1 . . . . . . . . 6261 1 40 . 1 1 5 5 SER HB2 H 1 3.87 0.02 . 1 . . . . . . . . 6261 1 41 . 1 1 5 5 SER HB3 H 1 3.87 0.02 . 1 . . . . . . . . 6261 1 42 . 1 1 5 5 SER CA C 13 56.51 0.2 . 1 . . . . . . . . 6261 1 43 . 1 1 5 5 SER CB C 13 63.45 0.2 . 1 . . . . . . . . 6261 1 44 . 1 1 5 5 SER N N 15 117.00 0.2 . 1 . . . . . . . . 6261 1 45 . 1 1 5 5 SER C C 13 173.85 0.2 . 1 . . . . . . . . 6261 1 46 . 1 1 6 6 PRO HA H 1 4.39 0.02 . 1 . . . . . . . . 6261 1 47 . 1 1 6 6 PRO HB2 H 1 1.91 0.02 . 2 . . . . . . . . 6261 1 48 . 1 1 6 6 PRO HB3 H 1 2.29 0.02 . 2 . . . . . . . . 6261 1 49 . 1 1 6 6 PRO HG2 H 1 2.03 0.02 . 1 . . . . . . . . 6261 1 50 . 1 1 6 6 PRO HG3 H 1 2.03 0.02 . 1 . . . . . . . . 6261 1 51 . 1 1 6 6 PRO HD2 H 1 3.75 0.02 . 2 . . . . . . . . 6261 1 52 . 1 1 6 6 PRO HD3 H 1 3.82 0.02 . 2 . . . . . . . . 6261 1 53 . 1 1 6 6 PRO CA C 13 63.94 0.2 . 1 . . . . . . . . 6261 1 54 . 1 1 6 6 PRO CB C 13 32.03 0.2 . 1 . . . . . . . . 6261 1 55 . 1 1 6 6 PRO CG C 13 27.48 0.2 . 1 . . . . . . . . 6261 1 56 . 1 1 6 6 PRO CD C 13 50.77 0.2 . 1 . . . . . . . . 6261 1 57 . 1 1 7 7 GLU H H 1 8.52 0.02 . 1 . . . . . . . . 6261 1 58 . 1 1 7 7 GLU HA H 1 4.20 0.02 . 1 . . . . . . . . 6261 1 59 . 1 1 7 7 GLU HB2 H 1 1.92 0.02 . 2 . . . . . . . . 6261 1 60 . 1 1 7 7 GLU HB3 H 1 2.02 0.02 . 2 . . . . . . . . 6261 1 61 . 1 1 7 7 GLU HG2 H 1 2.24 0.02 . 1 . . . . . . . . 6261 1 62 . 1 1 7 7 GLU HG3 H 1 2.24 0.02 . 1 . . . . . . . . 6261 1 63 . 1 1 7 7 GLU CA C 13 57.15 0.2 . 1 . . . . . . . . 6261 1 64 . 1 1 7 7 GLU CB C 13 30.01 0.2 . 1 . . . . . . . . 6261 1 65 . 1 1 7 7 GLU CG C 13 36.43 0.2 . 1 . . . . . . . . 6261 1 66 . 1 1 7 7 GLU N N 15 119.74 0.2 . 1 . . . . . . . . 6261 1 67 . 1 1 7 7 GLU C C 13 177.39 0.2 . 1 . . . . . . . . 6261 1 68 . 1 1 8 8 GLU H H 1 8.20 0.02 . 1 . . . . . . . . 6261 1 69 . 1 1 8 8 GLU HA H 1 4.00 0.02 . 1 . . . . . . . . 6261 1 70 . 1 1 8 8 GLU HB2 H 1 1.94 0.02 . 2 . . . . . . . . 6261 1 71 . 1 1 8 8 GLU HB3 H 1 2.06 0.02 . 2 . . . . . . . . 6261 1 72 . 1 1 8 8 GLU HG2 H 1 2.24 0.02 . 1 . . . . . . . . 6261 1 73 . 1 1 8 8 GLU HG3 H 1 2.24 0.02 . 1 . . . . . . . . 6261 1 74 . 1 1 8 8 GLU CA C 13 56.52 0.2 . 1 . . . . . . . . 6261 1 75 . 1 1 8 8 GLU CB C 13 30.28 0.2 . 1 . . . . . . . . 6261 1 76 . 1 1 8 8 GLU CG C 13 36.43 0.2 . 1 . . . . . . . . 6261 1 77 . 1 1 8 8 GLU N N 15 121.15 0.2 . 1 . . . . . . . . 6261 1 78 . 1 1 8 8 GLU C C 13 176.70 0.2 . 1 . . . . . . . . 6261 1 79 . 1 1 9 9 GLN H H 1 8.22 0.02 . 1 . . . . . . . . 6261 1 80 . 1 1 9 9 GLN HA H 1 4.33 0.02 . 1 . . . . . . . . 6261 1 81 . 1 1 9 9 GLN HB2 H 1 1.97 0.02 . 2 . . . . . . . . 6261 1 82 . 1 1 9 9 GLN HB3 H 1 2.14 0.02 . 2 . . . . . . . . 6261 1 83 . 1 1 9 9 GLN HG2 H 1 2.35 0.02 . 1 . . . . . . . . 6261 1 84 . 1 1 9 9 GLN HG3 H 1 2.35 0.02 . 1 . . . . . . . . 6261 1 85 . 1 1 9 9 GLN HE21 H 1 7.48 0.02 . 1 . . . . . . . . 6261 1 86 . 1 1 9 9 GLN HE22 H 1 6.80 0.02 . 1 . . . . . . . . 6261 1 87 . 1 1 9 9 GLN CA C 13 55.95 0.2 . 1 . . . . . . . . 6261 1 88 . 1 1 9 9 GLN CB C 13 29.70 0.2 . 1 . . . . . . . . 6261 1 89 . 1 1 9 9 GLN CG C 13 33.93 0.2 . 1 . . . . . . . . 6261 1 90 . 1 1 9 9 GLN N N 15 120.60 0.2 . 1 . . . . . . . . 6261 1 91 . 1 1 9 9 GLN NE2 N 15 112.46 0.2 . 1 . . . . . . . . 6261 1 92 . 1 1 9 9 GLN C C 13 176.34 0.2 . 1 . . . . . . . . 6261 1 93 . 1 1 10 10 GLY H H 1 8.30 0.02 . 1 . . . . . . . . 6261 1 94 . 1 1 10 10 GLY HA2 H 1 3.91 0.02 . 2 . . . . . . . . 6261 1 95 . 1 1 10 10 GLY HA3 H 1 4.01 0.02 . 2 . . . . . . . . 6261 1 96 . 1 1 10 10 GLY CA C 13 45.46 0.2 . 1 . . . . . . . . 6261 1 97 . 1 1 10 10 GLY N N 15 109.03 0.2 . 1 . . . . . . . . 6261 1 98 . 1 1 10 10 GLY C C 13 176.25 0.2 . 1 . . . . . . . . 6261 1 99 . 1 1 11 11 ASP H H 1 8.40 0.02 . 1 . . . . . . . . 6261 1 100 . 1 1 11 11 ASP HA H 1 4.60 0.02 . 1 . . . . . . . . 6261 1 101 . 1 1 11 11 ASP HB2 H 1 2.53 0.02 . 2 . . . . . . . . 6261 1 102 . 1 1 11 11 ASP HB3 H 1 2.68 0.02 . 2 . . . . . . . . 6261 1 103 . 1 1 11 11 ASP CA C 13 54.04 0.2 . 1 . . . . . . . . 6261 1 104 . 1 1 11 11 ASP CB C 13 40.90 0.2 . 1 . . . . . . . . 6261 1 105 . 1 1 11 11 ASP N N 15 119.96 0.2 . 1 . . . . . . . . 6261 1 106 . 1 1 11 11 ASP C C 13 173.32 0.2 . 1 . . . . . . . . 6261 1 107 . 1 1 12 12 ILE H H 1 8.03 0.02 . 1 . . . . . . . . 6261 1 108 . 1 1 12 12 ILE HA H 1 4.99 0.02 . 1 . . . . . . . . 6261 1 109 . 1 1 12 12 ILE HB H 1 1.93 0.02 . 1 . . . . . . . . 6261 1 110 . 1 1 12 12 ILE HG12 H 1 1.34 0.02 . 2 . . . . . . . . 6261 1 111 . 1 1 12 12 ILE HG13 H 1 1.50 0.02 . 2 . . . . . . . . 6261 1 112 . 1 1 12 12 ILE HG21 H 1 0.89 0.02 . 1 . . . . . . . . 6261 1 113 . 1 1 12 12 ILE HG22 H 1 0.89 0.02 . 1 . . . . . . . . 6261 1 114 . 1 1 12 12 ILE HG23 H 1 0.89 0.02 . 1 . . . . . . . . 6261 1 115 . 1 1 12 12 ILE HD11 H 1 0.75 0.02 . 1 . . . . . . . . 6261 1 116 . 1 1 12 12 ILE HD12 H 1 0.75 0.02 . 1 . . . . . . . . 6261 1 117 . 1 1 12 12 ILE HD13 H 1 0.75 0.02 . 1 . . . . . . . . 6261 1 118 . 1 1 12 12 ILE CA C 13 59.04 0.2 . 1 . . . . . . . . 6261 1 119 . 1 1 12 12 ILE CB C 13 37.72 0.2 . 1 . . . . . . . . 6261 1 120 . 1 1 12 12 ILE CG1 C 13 27.43 0.2 . 1 . . . . . . . . 6261 1 121 . 1 1 12 12 ILE CG2 C 13 18.32 0.2 . 1 . . . . . . . . 6261 1 122 . 1 1 12 12 ILE CD1 C 13 11.14 0.2 . 1 . . . . . . . . 6261 1 123 . 1 1 12 12 ILE N N 15 120.64 0.2 . 1 . . . . . . . . 6261 1 124 . 1 1 12 12 ILE C C 13 174.51 0.2 . 1 . . . . . . . . 6261 1 125 . 1 1 13 13 VAL H H 1 9.24 0.02 . 1 . . . . . . . . 6261 1 126 . 1 1 13 13 VAL HA H 1 5.16 0.02 . 1 . . . . . . . . 6261 1 127 . 1 1 13 13 VAL HB H 1 1.89 0.02 . 1 . . . . . . . . 6261 1 128 . 1 1 13 13 VAL HG11 H 1 0.83 0.02 . 2 . . . . . . . . 6261 1 129 . 1 1 13 13 VAL HG12 H 1 0.83 0.02 . 2 . . . . . . . . 6261 1 130 . 1 1 13 13 VAL HG13 H 1 0.83 0.02 . 2 . . . . . . . . 6261 1 131 . 1 1 13 13 VAL HG21 H 1 0.61 0.02 . 2 . . . . . . . . 6261 1 132 . 1 1 13 13 VAL HG22 H 1 0.61 0.02 . 2 . . . . . . . . 6261 1 133 . 1 1 13 13 VAL HG23 H 1 0.61 0.02 . 2 . . . . . . . . 6261 1 134 . 1 1 13 13 VAL CA C 13 57.83 0.2 . 1 . . . . . . . . 6261 1 135 . 1 1 13 13 VAL CB C 13 35.57 0.2 . 1 . . . . . . . . 6261 1 136 . 1 1 13 13 VAL CG1 C 13 22.00 0.2 . 2 . . . . . . . . 6261 1 137 . 1 1 13 13 VAL CG2 C 13 18.67 0.2 . 2 . . . . . . . . 6261 1 138 . 1 1 13 13 VAL N N 15 118.95 0.2 . 1 . . . . . . . . 6261 1 139 . 1 1 13 13 VAL C C 13 176.49 0.2 . 1 . . . . . . . . 6261 1 140 . 1 1 14 14 VAL H H 1 8.95 0.02 . 1 . . . . . . . . 6261 1 141 . 1 1 14 14 VAL HA H 1 4.95 0.02 . 1 . . . . . . . . 6261 1 142 . 1 1 14 14 VAL HB H 1 1.73 0.02 . 1 . . . . . . . . 6261 1 143 . 1 1 14 14 VAL HG11 H 1 0.84 0.02 . 2 . . . . . . . . 6261 1 144 . 1 1 14 14 VAL HG12 H 1 0.84 0.02 . 2 . . . . . . . . 6261 1 145 . 1 1 14 14 VAL HG13 H 1 0.84 0.02 . 2 . . . . . . . . 6261 1 146 . 1 1 14 14 VAL HG21 H 1 0.82 0.02 . 2 . . . . . . . . 6261 1 147 . 1 1 14 14 VAL HG22 H 1 0.82 0.02 . 2 . . . . . . . . 6261 1 148 . 1 1 14 14 VAL HG23 H 1 0.82 0.02 . 2 . . . . . . . . 6261 1 149 . 1 1 14 14 VAL CA C 13 58.48 0.2 . 1 . . . . . . . . 6261 1 150 . 1 1 14 14 VAL CB C 13 35.48 0.2 . 1 . . . . . . . . 6261 1 151 . 1 1 14 14 VAL CG1 C 13 21.74 0.2 . 2 . . . . . . . . 6261 1 152 . 1 1 14 14 VAL CG2 C 13 19.59 0.2 . 2 . . . . . . . . 6261 1 153 . 1 1 14 14 VAL N N 15 117.90 0.2 . 1 . . . . . . . . 6261 1 154 . 1 1 14 14 VAL C C 13 173.46 0.2 . 1 . . . . . . . . 6261 1 155 . 1 1 15 15 ALA H H 1 8.22 0.02 . 1 . . . . . . . . 6261 1 156 . 1 1 15 15 ALA HA H 1 4.41 0.02 . 1 . . . . . . . . 6261 1 157 . 1 1 15 15 ALA HB1 H 1 1.72 0.02 . 1 . . . . . . . . 6261 1 158 . 1 1 15 15 ALA HB2 H 1 1.72 0.02 . 1 . . . . . . . . 6261 1 159 . 1 1 15 15 ALA HB3 H 1 1.72 0.02 . 1 . . . . . . . . 6261 1 160 . 1 1 15 15 ALA CA C 13 52.76 0.2 . 1 . . . . . . . . 6261 1 161 . 1 1 15 15 ALA CB C 13 21.84 0.2 . 1 . . . . . . . . 6261 1 162 . 1 1 15 15 ALA N N 15 126.84 0.2 . 1 . . . . . . . . 6261 1 163 . 1 1 15 15 ALA C C 13 174.58 0.2 . 1 . . . . . . . . 6261 1 164 . 1 1 16 16 LEU H H 1 9.50 0.02 . 1 . . . . . . . . 6261 1 165 . 1 1 16 16 LEU HA H 1 3.94 0.02 . 1 . . . . . . . . 6261 1 166 . 1 1 16 16 LEU HB2 H 1 0.66 0.02 . 2 . . . . . . . . 6261 1 167 . 1 1 16 16 LEU HB3 H 1 0.96 0.02 . 2 . . . . . . . . 6261 1 168 . 1 1 16 16 LEU HG H 1 1.34 0.02 . 1 . . . . . . . . 6261 1 169 . 1 1 16 16 LEU HD11 H 1 0.64 0.02 . 1 . . . . . . . . 6261 1 170 . 1 1 16 16 LEU HD12 H 1 0.64 0.02 . 1 . . . . . . . . 6261 1 171 . 1 1 16 16 LEU HD13 H 1 0.64 0.02 . 1 . . . . . . . . 6261 1 172 . 1 1 16 16 LEU HD21 H 1 0.64 0.02 . 1 . . . . . . . . 6261 1 173 . 1 1 16 16 LEU HD22 H 1 0.64 0.02 . 1 . . . . . . . . 6261 1 174 . 1 1 16 16 LEU HD23 H 1 0.64 0.02 . 1 . . . . . . . . 6261 1 175 . 1 1 16 16 LEU CA C 13 55.77 0.2 . 1 . . . . . . . . 6261 1 176 . 1 1 16 16 LEU CB C 13 42.46 0.2 . 1 . . . . . . . . 6261 1 177 . 1 1 16 16 LEU CG C 13 26.89 0.2 . 1 . . . . . . . . 6261 1 178 . 1 1 16 16 LEU CD1 C 13 25.29 0.2 . 2 . . . . . . . . 6261 1 179 . 1 1 16 16 LEU CD2 C 13 21.74 0.2 . 2 . . . . . . . . 6261 1 180 . 1 1 16 16 LEU N N 15 127.23 0.2 . 1 . . . . . . . . 6261 1 181 . 1 1 16 16 LEU C C 13 179.32 0.2 . 1 . . . . . . . . 6261 1 182 . 1 1 17 17 TYR H H 1 7.41 0.02 . 1 . . . . . . . . 6261 1 183 . 1 1 17 17 TYR HA H 1 4.89 0.02 . 1 . . . . . . . . 6261 1 184 . 1 1 17 17 TYR HB2 H 1 2.37 0.02 . 2 . . . . . . . . 6261 1 185 . 1 1 17 17 TYR HB3 H 1 3.31 0.02 . 2 . . . . . . . . 6261 1 186 . 1 1 17 17 TYR HD1 H 1 6.75 0.02 . 1 . . . . . . . . 6261 1 187 . 1 1 17 17 TYR HD2 H 1 6.75 0.02 . 1 . . . . . . . . 6261 1 188 . 1 1 17 17 TYR HE1 H 1 6.64 0.02 . 1 . . . . . . . . 6261 1 189 . 1 1 17 17 TYR HE2 H 1 6.64 0.02 . 1 . . . . . . . . 6261 1 190 . 1 1 17 17 TYR CA C 13 52.97 0.2 . 1 . . . . . . . . 6261 1 191 . 1 1 17 17 TYR CB C 13 40.49 0.2 . 1 . . . . . . . . 6261 1 192 . 1 1 17 17 TYR N N 15 114.54 0.2 . 1 . . . . . . . . 6261 1 193 . 1 1 17 17 TYR C C 13 175.12 0.2 . 1 . . . . . . . . 6261 1 194 . 1 1 18 18 PRO HA H 1 4.59 0.02 . 1 . . . . . . . . 6261 1 195 . 1 1 18 18 PRO HB2 H 1 2.13 0.02 . 2 . . . . . . . . 6261 1 196 . 1 1 18 18 PRO HB3 H 1 2.44 0.02 . 2 . . . . . . . . 6261 1 197 . 1 1 18 18 PRO HG2 H 1 2.20 0.02 . 1 . . . . . . . . 6261 1 198 . 1 1 18 18 PRO HG3 H 1 2.20 0.02 . 1 . . . . . . . . 6261 1 199 . 1 1 18 18 PRO HD2 H 1 3.72 0.02 . 2 . . . . . . . . 6261 1 200 . 1 1 18 18 PRO HD3 H 1 3.97 0.02 . 2 . . . . . . . . 6261 1 201 . 1 1 18 18 PRO CA C 13 62.34 0.2 . 1 . . . . . . . . 6261 1 202 . 1 1 18 18 PRO CB C 13 32.58 0.2 . 1 . . . . . . . . 6261 1 203 . 1 1 18 18 PRO CG C 13 26.89 0.2 . 1 . . . . . . . . 6261 1 204 . 1 1 18 18 PRO CD C 13 49.81 0.2 . 1 . . . . . . . . 6261 1 205 . 1 1 19 19 TYR H H 1 8.04 0.02 . 1 . . . . . . . . 6261 1 206 . 1 1 19 19 TYR HA H 1 4.61 0.02 . 1 . . . . . . . . 6261 1 207 . 1 1 19 19 TYR HB2 H 1 0.88 0.02 . 2 . . . . . . . . 6261 1 208 . 1 1 19 19 TYR HB3 H 1 2.27 0.02 . 2 . . . . . . . . 6261 1 209 . 1 1 19 19 TYR HD1 H 1 7.06 0.02 . 1 . . . . . . . . 6261 1 210 . 1 1 19 19 TYR HD2 H 1 7.06 0.02 . 1 . . . . . . . . 6261 1 211 . 1 1 19 19 TYR HE1 H 1 6.76 0.02 . 1 . . . . . . . . 6261 1 212 . 1 1 19 19 TYR HE2 H 1 6.76 0.02 . 1 . . . . . . . . 6261 1 213 . 1 1 19 19 TYR CA C 13 57.17 0.2 . 1 . . . . . . . . 6261 1 214 . 1 1 19 19 TYR CB C 13 42.37 0.2 . 1 . . . . . . . . 6261 1 215 . 1 1 19 19 TYR N N 15 119.17 0.2 . 1 . . . . . . . . 6261 1 216 . 1 1 19 19 TYR C C 13 175.43 0.2 . 1 . . . . . . . . 6261 1 217 . 1 1 20 20 ASP H H 1 7.72 0.02 . 1 . . . . . . . . 6261 1 218 . 1 1 20 20 ASP HA H 1 4.58 0.02 . 1 . . . . . . . . 6261 1 219 . 1 1 20 20 ASP HB2 H 1 2.22 0.02 . 2 . . . . . . . . 6261 1 220 . 1 1 20 20 ASP HB3 H 1 2.41 0.02 . 2 . . . . . . . . 6261 1 221 . 1 1 20 20 ASP CA C 13 52.88 0.2 . 1 . . . . . . . . 6261 1 222 . 1 1 20 20 ASP CB C 13 41.64 0.2 . 1 . . . . . . . . 6261 1 223 . 1 1 20 20 ASP N N 15 127.08 0.2 . 1 . . . . . . . . 6261 1 224 . 1 1 20 20 ASP C C 13 173.73 0.2 . 1 . . . . . . . . 6261 1 225 . 1 1 21 21 GLY H H 1 7.57 0.02 . 1 . . . . . . . . 6261 1 226 . 1 1 21 21 GLY HA2 H 1 3.50 0.02 . 2 . . . . . . . . 6261 1 227 . 1 1 21 21 GLY HA3 H 1 3.58 0.02 . 2 . . . . . . . . 6261 1 228 . 1 1 21 21 GLY CA C 13 46.58 0.2 . 1 . . . . . . . . 6261 1 229 . 1 1 21 21 GLY N N 15 108.36 0.2 . 1 . . . . . . . . 6261 1 230 . 1 1 21 21 GLY C C 13 174.56 0.2 . 1 . . . . . . . . 6261 1 231 . 1 1 22 22 ILE H H 1 8.34 0.02 . 1 . . . . . . . . 6261 1 232 . 1 1 22 22 ILE HA H 1 4.10 0.02 . 1 . . . . . . . . 6261 1 233 . 1 1 22 22 ILE HB H 1 1.61 0.02 . 1 . . . . . . . . 6261 1 234 . 1 1 22 22 ILE HG12 H 1 1.05 0.02 . 1 . . . . . . . . 6261 1 235 . 1 1 22 22 ILE HG13 H 1 1.05 0.02 . 1 . . . . . . . . 6261 1 236 . 1 1 22 22 ILE HG21 H 1 0.61 0.02 . 1 . . . . . . . . 6261 1 237 . 1 1 22 22 ILE HG22 H 1 0.61 0.02 . 1 . . . . . . . . 6261 1 238 . 1 1 22 22 ILE HG23 H 1 0.61 0.02 . 1 . . . . . . . . 6261 1 239 . 1 1 22 22 ILE HD11 H 1 0.82 0.02 . 1 . . . . . . . . 6261 1 240 . 1 1 22 22 ILE HD12 H 1 0.82 0.02 . 1 . . . . . . . . 6261 1 241 . 1 1 22 22 ILE HD13 H 1 0.82 0.02 . 1 . . . . . . . . 6261 1 242 . 1 1 22 22 ILE CA C 13 61.73 0.2 . 1 . . . . . . . . 6261 1 243 . 1 1 22 22 ILE CB C 13 40.22 0.2 . 1 . . . . . . . . 6261 1 244 . 1 1 22 22 ILE CG1 C 13 26.66 0.2 . 1 . . . . . . . . 6261 1 245 . 1 1 22 22 ILE CG2 C 13 17.05 0.2 . 1 . . . . . . . . 6261 1 246 . 1 1 22 22 ILE CD1 C 13 13.27 0.2 . 1 . . . . . . . . 6261 1 247 . 1 1 22 22 ILE N N 15 120.39 0.2 . 1 . . . . . . . . 6261 1 248 . 1 1 22 22 ILE C C 13 173.47 0.2 . 1 . . . . . . . . 6261 1 249 . 1 1 23 23 HIS H H 1 7.99 0.02 . 1 . . . . . . . . 6261 1 250 . 1 1 23 23 HIS HA H 1 4.81 0.02 . 1 . . . . . . . . 6261 1 251 . 1 1 23 23 HIS HB2 H 1 2.85 0.02 . 2 . . . . . . . . 6261 1 252 . 1 1 23 23 HIS HB3 H 1 3.12 0.02 . 2 . . . . . . . . 6261 1 253 . 1 1 23 23 HIS HD2 H 1 6.88 0.02 . 1 . . . . . . . . 6261 1 254 . 1 1 23 23 HIS HE1 H 1 8.11 0.02 . 1 . . . . . . . . 6261 1 255 . 1 1 23 23 HIS CA C 13 53.99 0.2 . 1 . . . . . . . . 6261 1 256 . 1 1 23 23 HIS CB C 13 29.60 0.2 . 1 . . . . . . . . 6261 1 257 . 1 1 23 23 HIS CD2 C 13 118.18 0.2 . 1 . . . . . . . . 6261 1 258 . 1 1 23 23 HIS N N 15 122.33 0.2 . 1 . . . . . . . . 6261 1 259 . 1 1 23 23 HIS C C 13 175.86 0.2 . 1 . . . . . . . . 6261 1 260 . 1 1 24 24 PRO HA H 1 4.29 0.02 . 1 . . . . . . . . 6261 1 261 . 1 1 24 24 PRO HB2 H 1 1.85 0.02 . 2 . . . . . . . . 6261 1 262 . 1 1 24 24 PRO HB3 H 1 2.35 0.02 . 2 . . . . . . . . 6261 1 263 . 1 1 24 24 PRO HG2 H 1 1.94 0.02 . 1 . . . . . . . . 6261 1 264 . 1 1 24 24 PRO HG3 H 1 1.94 0.02 . 1 . . . . . . . . 6261 1 265 . 1 1 24 24 PRO HD2 H 1 3.24 0.02 . 2 . . . . . . . . 6261 1 266 . 1 1 24 24 PRO HD3 H 1 3.75 0.02 . 2 . . . . . . . . 6261 1 267 . 1 1 24 24 PRO CA C 13 65.53 0.2 . 1 . . . . . . . . 6261 1 268 . 1 1 24 24 PRO CB C 13 32.14 0.2 . 1 . . . . . . . . 6261 1 269 . 1 1 24 24 PRO CG C 13 27.59 0.2 . 1 . . . . . . . . 6261 1 270 . 1 1 24 24 PRO CD C 13 50.62 0.2 . 1 . . . . . . . . 6261 1 271 . 1 1 25 25 ASP H H 1 8.94 0.02 . 1 . . . . . . . . 6261 1 272 . 1 1 25 25 ASP HA H 1 4.91 0.02 . 1 . . . . . . . . 6261 1 273 . 1 1 25 25 ASP HB2 H 1 2.92 0.02 . 2 . . . . . . . . 6261 1 274 . 1 1 25 25 ASP HB3 H 1 2.99 0.02 . 2 . . . . . . . . 6261 1 275 . 1 1 25 25 ASP CA C 13 53.76 0.2 . 1 . . . . . . . . 6261 1 276 . 1 1 25 25 ASP CB C 13 40.28 0.2 . 1 . . . . . . . . 6261 1 277 . 1 1 25 25 ASP N N 15 114.81 0.2 . 1 . . . . . . . . 6261 1 278 . 1 1 25 25 ASP C C 13 176.81 0.2 . 1 . . . . . . . . 6261 1 279 . 1 1 26 26 ASP H H 1 7.85 0.02 . 1 . . . . . . . . 6261 1 280 . 1 1 26 26 ASP HA H 1 5.32 0.02 . 1 . . . . . . . . 6261 1 281 . 1 1 26 26 ASP HB2 H 1 2.93 0.02 . 1 . . . . . . . . 6261 1 282 . 1 1 26 26 ASP HB3 H 1 2.93 0.02 . 1 . . . . . . . . 6261 1 283 . 1 1 26 26 ASP CA C 13 54.99 0.2 . 1 . . . . . . . . 6261 1 284 . 1 1 26 26 ASP CB C 13 42.76 0.2 . 1 . . . . . . . . 6261 1 285 . 1 1 26 26 ASP N N 15 121.06 0.2 . 1 . . . . . . . . 6261 1 286 . 1 1 26 26 ASP C C 13 176.26 0.2 . 1 . . . . . . . . 6261 1 287 . 1 1 27 27 LEU H H 1 9.30 0.02 . 1 . . . . . . . . 6261 1 288 . 1 1 27 27 LEU HA H 1 4.60 0.02 . 1 . . . . . . . . 6261 1 289 . 1 1 27 27 LEU HB2 H 1 0.80 0.02 . 2 . . . . . . . . 6261 1 290 . 1 1 27 27 LEU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 6261 1 291 . 1 1 27 27 LEU HG H 1 0.71 0.02 . 1 . . . . . . . . 6261 1 292 . 1 1 27 27 LEU HD11 H 1 0.84 0.02 . 1 . . . . . . . . 6261 1 293 . 1 1 27 27 LEU HD12 H 1 0.84 0.02 . 1 . . . . . . . . 6261 1 294 . 1 1 27 27 LEU HD13 H 1 0.84 0.02 . 1 . . . . . . . . 6261 1 295 . 1 1 27 27 LEU HD21 H 1 0.84 0.02 . 1 . . . . . . . . 6261 1 296 . 1 1 27 27 LEU HD22 H 1 0.84 0.02 . 1 . . . . . . . . 6261 1 297 . 1 1 27 27 LEU HD23 H 1 0.84 0.02 . 1 . . . . . . . . 6261 1 298 . 1 1 27 27 LEU CA C 13 54.04 0.2 . 1 . . . . . . . . 6261 1 299 . 1 1 27 27 LEU CB C 13 43.89 0.2 . 1 . . . . . . . . 6261 1 300 . 1 1 27 27 LEU CG C 13 26.05 0.2 . 1 . . . . . . . . 6261 1 301 . 1 1 27 27 LEU CD1 C 13 24.80 0.2 . 2 . . . . . . . . 6261 1 302 . 1 1 27 27 LEU N N 15 127.03 0.2 . 1 . . . . . . . . 6261 1 303 . 1 1 27 27 LEU C C 13 176.68 0.2 . 1 . . . . . . . . 6261 1 304 . 1 1 28 28 SER H H 1 7.70 0.02 . 1 . . . . . . . . 6261 1 305 . 1 1 28 28 SER HA H 1 4.76 0.02 . 1 . . . . . . . . 6261 1 306 . 1 1 28 28 SER HB2 H 1 3.83 0.02 . 2 . . . . . . . . 6261 1 307 . 1 1 28 28 SER HB3 H 1 4.01 0.02 . 2 . . . . . . . . 6261 1 308 . 1 1 28 28 SER CA C 13 58.05 0.2 . 1 . . . . . . . . 6261 1 309 . 1 1 28 28 SER CB C 13 64.65 0.2 . 1 . . . . . . . . 6261 1 310 . 1 1 28 28 SER N N 15 117.47 0.2 . 1 . . . . . . . . 6261 1 311 . 1 1 28 28 SER C C 13 174.77 0.2 . 1 . . . . . . . . 6261 1 312 . 1 1 29 29 PHE H H 1 8.51 0.02 . 1 . . . . . . . . 6261 1 313 . 1 1 29 29 PHE HA H 1 5.16 0.02 . 1 . . . . . . . . 6261 1 314 . 1 1 29 29 PHE HB2 H 1 2.92 0.02 . 2 . . . . . . . . 6261 1 315 . 1 1 29 29 PHE HB3 H 1 3.20 0.02 . 2 . . . . . . . . 6261 1 316 . 1 1 29 29 PHE HD1 H 1 7.02 0.02 . 1 . . . . . . . . 6261 1 317 . 1 1 29 29 PHE HD2 H 1 7.02 0.02 . 1 . . . . . . . . 6261 1 318 . 1 1 29 29 PHE HE1 H 1 7.57 0.02 . 1 . . . . . . . . 6261 1 319 . 1 1 29 29 PHE HE2 H 1 7.57 0.02 . 1 . . . . . . . . 6261 1 320 . 1 1 29 29 PHE HZ H 1 6.79 0.02 . 1 . . . . . . . . 6261 1 321 . 1 1 29 29 PHE CA C 13 55.90 0.2 . 1 . . . . . . . . 6261 1 322 . 1 1 29 29 PHE CB C 13 40.37 0.2 . 1 . . . . . . . . 6261 1 323 . 1 1 29 29 PHE N N 15 115.86 0.2 . 1 . . . . . . . . 6261 1 324 . 1 1 29 29 PHE C C 13 173.62 0.2 . 1 . . . . . . . . 6261 1 325 . 1 1 30 30 LYS H H 1 9.01 0.02 . 1 . . . . . . . . 6261 1 326 . 1 1 30 30 LYS HA H 1 4.70 0.02 . 1 . . . . . . . . 6261 1 327 . 1 1 30 30 LYS HB2 H 1 1.88 0.02 . 2 . . . . . . . . 6261 1 328 . 1 1 30 30 LYS HB3 H 1 2.00 0.02 . 2 . . . . . . . . 6261 1 329 . 1 1 30 30 LYS HG2 H 1 1.51 0.02 . 2 . . . . . . . . 6261 1 330 . 1 1 30 30 LYS HG3 H 1 1.57 0.02 . 2 . . . . . . . . 6261 1 331 . 1 1 30 30 LYS HD2 H 1 1.68 0.02 . 1 . . . . . . . . 6261 1 332 . 1 1 30 30 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . 6261 1 333 . 1 1 30 30 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 6261 1 334 . 1 1 30 30 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . 6261 1 335 . 1 1 30 30 LYS CA C 13 53.93 0.2 . 1 . . . . . . . . 6261 1 336 . 1 1 30 30 LYS CB C 13 34.78 0.2 . 1 . . . . . . . . 6261 1 337 . 1 1 30 30 LYS CG C 13 24.76 0.2 . 1 . . . . . . . . 6261 1 338 . 1 1 30 30 LYS CD C 13 29.08 0.2 . 1 . . . . . . . . 6261 1 339 . 1 1 30 30 LYS CE C 13 42.12 0.2 . 1 . . . . . . . . 6261 1 340 . 1 1 30 30 LYS N N 15 120.53 0.2 . 1 . . . . . . . . 6261 1 341 . 1 1 30 30 LYS C C 13 175.18 0.2 . 1 . . . . . . . . 6261 1 342 . 1 1 31 31 LYS H H 1 8.40 0.02 . 1 . . . . . . . . 6261 1 343 . 1 1 31 31 LYS HA H 1 3.46 0.02 . 1 . . . . . . . . 6261 1 344 . 1 1 31 31 LYS HB2 H 1 1.42 0.02 . 2 . . . . . . . . 6261 1 345 . 1 1 31 31 LYS HB3 H 1 1.75 0.02 . 2 . . . . . . . . 6261 1 346 . 1 1 31 31 LYS HG2 H 1 1.12 0.02 . 2 . . . . . . . . 6261 1 347 . 1 1 31 31 LYS HG3 H 1 1.21 0.02 . 2 . . . . . . . . 6261 1 348 . 1 1 31 31 LYS HD2 H 1 1.62 0.02 . 1 . . . . . . . . 6261 1 349 . 1 1 31 31 LYS HD3 H 1 1.62 0.02 . 1 . . . . . . . . 6261 1 350 . 1 1 31 31 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 6261 1 351 . 1 1 31 31 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . 6261 1 352 . 1 1 31 31 LYS CA C 13 59.29 0.2 . 1 . . . . . . . . 6261 1 353 . 1 1 31 31 LYS CB C 13 32.66 0.2 . 1 . . . . . . . . 6261 1 354 . 1 1 31 31 LYS CG C 13 25.27 0.2 . 1 . . . . . . . . 6261 1 355 . 1 1 31 31 LYS CD C 13 30.20 0.2 . 1 . . . . . . . . 6261 1 356 . 1 1 31 31 LYS CE C 13 42.44 0.2 . 1 . . . . . . . . 6261 1 357 . 1 1 31 31 LYS N N 15 119.69 0.2 . 1 . . . . . . . . 6261 1 358 . 1 1 31 31 LYS C C 13 176.25 0.2 . 1 . . . . . . . . 6261 1 359 . 1 1 32 32 GLY H H 1 8.80 0.02 . 1 . . . . . . . . 6261 1 360 . 1 1 32 32 GLY HA2 H 1 3.47 0.02 . 2 . . . . . . . . 6261 1 361 . 1 1 32 32 GLY HA3 H 1 4.31 0.02 . 2 . . . . . . . . 6261 1 362 . 1 1 32 32 GLY CA C 13 45.23 0.2 . 1 . . . . . . . . 6261 1 363 . 1 1 32 32 GLY N N 15 115.22 0.2 . 1 . . . . . . . . 6261 1 364 . 1 1 32 32 GLY C C 13 177.69 0.2 . 1 . . . . . . . . 6261 1 365 . 1 1 33 33 GLU H H 1 7.86 0.02 . 1 . . . . . . . . 6261 1 366 . 1 1 33 33 GLU HA H 1 4.09 0.02 . 1 . . . . . . . . 6261 1 367 . 1 1 33 33 GLU HB2 H 1 2.16 0.02 . 2 . . . . . . . . 6261 1 368 . 1 1 33 33 GLU HB3 H 1 2.41 0.02 . 2 . . . . . . . . 6261 1 369 . 1 1 33 33 GLU HG2 H 1 2.33 0.02 . 1 . . . . . . . . 6261 1 370 . 1 1 33 33 GLU HG3 H 1 2.33 0.02 . 1 . . . . . . . . 6261 1 371 . 1 1 33 33 GLU CA C 13 58.04 0.2 . 1 . . . . . . . . 6261 1 372 . 1 1 33 33 GLU CB C 13 31.76 0.2 . 1 . . . . . . . . 6261 1 373 . 1 1 33 33 GLU CG C 13 36.19 0.2 . 1 . . . . . . . . 6261 1 374 . 1 1 33 33 GLU N N 15 124.20 0.2 . 1 . . . . . . . . 6261 1 375 . 1 1 33 33 GLU C C 13 172.96 0.2 . 1 . . . . . . . . 6261 1 376 . 1 1 34 34 LYS H H 1 8.50 0.02 . 1 . . . . . . . . 6261 1 377 . 1 1 34 34 LYS HA H 1 5.34 0.02 . 1 . . . . . . . . 6261 1 378 . 1 1 34 34 LYS HB2 H 1 1.59 0.02 . 2 . . . . . . . . 6261 1 379 . 1 1 34 34 LYS HB3 H 1 1.81 0.02 . 2 . . . . . . . . 6261 1 380 . 1 1 34 34 LYS HG2 H 1 1.29 0.02 . 2 . . . . . . . . 6261 1 381 . 1 1 34 34 LYS HG3 H 1 1.67 0.02 . 2 . . . . . . . . 6261 1 382 . 1 1 34 34 LYS HD2 H 1 1.65 0.02 . 1 . . . . . . . . 6261 1 383 . 1 1 34 34 LYS HD3 H 1 1.65 0.02 . 1 . . . . . . . . 6261 1 384 . 1 1 34 34 LYS HE2 H 1 2.90 0.02 . 1 . . . . . . . . 6261 1 385 . 1 1 34 34 LYS HE3 H 1 2.90 0.02 . 1 . . . . . . . . 6261 1 386 . 1 1 34 34 LYS CA C 13 55.39 0.2 . 1 . . . . . . . . 6261 1 387 . 1 1 34 34 LYS CB C 13 34.72 0.2 . 1 . . . . . . . . 6261 1 388 . 1 1 34 34 LYS CG C 13 26.18 0.2 . 1 . . . . . . . . 6261 1 389 . 1 1 34 34 LYS CD C 13 29.53 0.2 . 1 . . . . . . . . 6261 1 390 . 1 1 34 34 LYS CE C 13 42.14 0.2 . 1 . . . . . . . . 6261 1 391 . 1 1 34 34 LYS N N 15 124.33 0.2 . 1 . . . . . . . . 6261 1 392 . 1 1 34 34 LYS C C 13 175.16 0.2 . 1 . . . . . . . . 6261 1 393 . 1 1 35 35 MET H H 1 8.98 0.02 . 1 . . . . . . . . 6261 1 394 . 1 1 35 35 MET HA H 1 5.08 0.02 . 1 . . . . . . . . 6261 1 395 . 1 1 35 35 MET HB2 H 1 1.42 0.02 . 2 . . . . . . . . 6261 1 396 . 1 1 35 35 MET HB3 H 1 1.61 0.02 . 2 . . . . . . . . 6261 1 397 . 1 1 35 35 MET HG2 H 1 2.05 0.02 . 2 . . . . . . . . 6261 1 398 . 1 1 35 35 MET HG3 H 1 2.26 0.02 . 2 . . . . . . . . 6261 1 399 . 1 1 35 35 MET HE1 H 1 0.86 0.02 . 1 . . . . . . . . 6261 1 400 . 1 1 35 35 MET HE2 H 1 0.86 0.02 . 1 . . . . . . . . 6261 1 401 . 1 1 35 35 MET HE3 H 1 0.86 0.02 . 1 . . . . . . . . 6261 1 402 . 1 1 35 35 MET CA C 13 54.13 0.2 . 1 . . . . . . . . 6261 1 403 . 1 1 35 35 MET CB C 13 39.33 0.2 . 1 . . . . . . . . 6261 1 404 . 1 1 35 35 MET CG C 13 32.76 0.2 . 1 . . . . . . . . 6261 1 405 . 1 1 35 35 MET CE C 13 17.29 0.2 . 1 . . . . . . . . 6261 1 406 . 1 1 35 35 MET N N 15 119.81 0.2 . 1 . . . . . . . . 6261 1 407 . 1 1 35 35 MET C C 13 176.83 0.2 . 1 . . . . . . . . 6261 1 408 . 1 1 36 36 LYS H H 1 9.10 0.02 . 1 . . . . . . . . 6261 1 409 . 1 1 36 36 LYS HA H 1 4.94 0.02 . 1 . . . . . . . . 6261 1 410 . 1 1 36 36 LYS HB2 H 1 1.54 0.02 . 2 . . . . . . . . 6261 1 411 . 1 1 36 36 LYS HB3 H 1 1.67 0.02 . 2 . . . . . . . . 6261 1 412 . 1 1 36 36 LYS HG2 H 1 1.16 0.02 . 2 . . . . . . . . 6261 1 413 . 1 1 36 36 LYS HG3 H 1 1.30 0.02 . 2 . . . . . . . . 6261 1 414 . 1 1 36 36 LYS HD2 H 1 1.53 0.02 . 1 . . . . . . . . 6261 1 415 . 1 1 36 36 LYS HD3 H 1 1.53 0.02 . 1 . . . . . . . . 6261 1 416 . 1 1 36 36 LYS HE2 H 1 2.85 0.02 . 2 . . . . . . . . 6261 1 417 . 1 1 36 36 LYS HE3 H 1 2.94 0.02 . 2 . . . . . . . . 6261 1 418 . 1 1 36 36 LYS CA C 13 54.29 0.2 . 1 . . . . . . . . 6261 1 419 . 1 1 36 36 LYS CB C 13 35.48 0.2 . 1 . . . . . . . . 6261 1 420 . 1 1 36 36 LYS CG C 13 24.99 0.2 . 1 . . . . . . . . 6261 1 421 . 1 1 36 36 LYS CD C 13 29.76 0.2 . 1 . . . . . . . . 6261 1 422 . 1 1 36 36 LYS CE C 13 41.93 0.2 . 1 . . . . . . . . 6261 1 423 . 1 1 36 36 LYS N N 15 122.24 0.2 . 1 . . . . . . . . 6261 1 424 . 1 1 36 36 LYS C C 13 172.92 0.2 . 1 . . . . . . . . 6261 1 425 . 1 1 37 37 VAL H H 1 9.04 0.02 . 1 . . . . . . . . 6261 1 426 . 1 1 37 37 VAL HA H 1 3.79 0.02 . 1 . . . . . . . . 6261 1 427 . 1 1 37 37 VAL HB H 1 1.92 0.02 . 1 . . . . . . . . 6261 1 428 . 1 1 37 37 VAL HG11 H 1 0.86 0.02 . 2 . . . . . . . . 6261 1 429 . 1 1 37 37 VAL HG12 H 1 0.86 0.02 . 2 . . . . . . . . 6261 1 430 . 1 1 37 37 VAL HG13 H 1 0.86 0.02 . 2 . . . . . . . . 6261 1 431 . 1 1 37 37 VAL HG21 H 1 0.51 0.02 . 2 . . . . . . . . 6261 1 432 . 1 1 37 37 VAL HG22 H 1 0.51 0.02 . 2 . . . . . . . . 6261 1 433 . 1 1 37 37 VAL HG23 H 1 0.51 0.02 . 2 . . . . . . . . 6261 1 434 . 1 1 37 37 VAL CA C 13 64.56 0.2 . 1 . . . . . . . . 6261 1 435 . 1 1 37 37 VAL CB C 13 31.84 0.2 . 1 . . . . . . . . 6261 1 436 . 1 1 37 37 VAL CG1 C 13 23.83 0.2 . 2 . . . . . . . . 6261 1 437 . 1 1 37 37 VAL CG2 C 13 21.76 0.2 . 2 . . . . . . . . 6261 1 438 . 1 1 37 37 VAL N N 15 126.82 0.2 . 1 . . . . . . . . 6261 1 439 . 1 1 37 37 VAL C C 13 176.06 0.2 . 1 . . . . . . . . 6261 1 440 . 1 1 38 38 LEU H H 1 9.31 0.02 . 1 . . . . . . . . 6261 1 441 . 1 1 38 38 LEU HA H 1 4.38 0.02 . 1 . . . . . . . . 6261 1 442 . 1 1 38 38 LEU HB2 H 1 1.30 0.02 . 2 . . . . . . . . 6261 1 443 . 1 1 38 38 LEU HB3 H 1 1.62 0.02 . 2 . . . . . . . . 6261 1 444 . 1 1 38 38 LEU HG H 1 1.64 0.02 . 1 . . . . . . . . 6261 1 445 . 1 1 38 38 LEU HD11 H 1 0.72 0.02 . 1 . . . . . . . . 6261 1 446 . 1 1 38 38 LEU HD12 H 1 0.72 0.02 . 1 . . . . . . . . 6261 1 447 . 1 1 38 38 LEU HD13 H 1 0.72 0.02 . 1 . . . . . . . . 6261 1 448 . 1 1 38 38 LEU HD21 H 1 0.72 0.02 . 1 . . . . . . . . 6261 1 449 . 1 1 38 38 LEU HD22 H 1 0.72 0.02 . 1 . . . . . . . . 6261 1 450 . 1 1 38 38 LEU HD23 H 1 0.72 0.02 . 1 . . . . . . . . 6261 1 451 . 1 1 38 38 LEU CA C 13 55.73 0.2 . 1 . . . . . . . . 6261 1 452 . 1 1 38 38 LEU CB C 13 43.01 0.2 . 1 . . . . . . . . 6261 1 453 . 1 1 38 38 LEU CG C 13 27.04 0.2 . 1 . . . . . . . . 6261 1 454 . 1 1 38 38 LEU CD1 C 13 25.54 0.2 . 2 . . . . . . . . 6261 1 455 . 1 1 38 38 LEU CD2 C 13 22.21 0.2 . 2 . . . . . . . . 6261 1 456 . 1 1 38 38 LEU N N 15 128.40 0.2 . 1 . . . . . . . . 6261 1 457 . 1 1 38 38 LEU C C 13 175.33 0.2 . 1 . . . . . . . . 6261 1 458 . 1 1 39 39 GLU H H 1 7.65 0.02 . 1 . . . . . . . . 6261 1 459 . 1 1 39 39 GLU HA H 1 4.42 0.02 . 1 . . . . . . . . 6261 1 460 . 1 1 39 39 GLU HB2 H 1 1.88 0.02 . 2 . . . . . . . . 6261 1 461 . 1 1 39 39 GLU HB3 H 1 1.96 0.02 . 2 . . . . . . . . 6261 1 462 . 1 1 39 39 GLU HG2 H 1 2.06 0.02 . 2 . . . . . . . . 6261 1 463 . 1 1 39 39 GLU HG3 H 1 2.29 0.02 . 2 . . . . . . . . 6261 1 464 . 1 1 39 39 GLU CA C 13 55.38 0.2 . 1 . . . . . . . . 6261 1 465 . 1 1 39 39 GLU CB C 13 34.78 0.2 . 1 . . . . . . . . 6261 1 466 . 1 1 39 39 GLU CG C 13 35.99 0.2 . 1 . . . . . . . . 6261 1 467 . 1 1 39 39 GLU N N 15 114.71 0.2 . 1 . . . . . . . . 6261 1 468 . 1 1 39 39 GLU C C 13 177.49 0.2 . 1 . . . . . . . . 6261 1 469 . 1 1 40 40 GLU H H 1 8.69 0.02 . 1 . . . . . . . . 6261 1 470 . 1 1 40 40 GLU HA H 1 4.15 0.02 . 1 . . . . . . . . 6261 1 471 . 1 1 40 40 GLU HB2 H 1 1.48 0.02 . 2 . . . . . . . . 6261 1 472 . 1 1 40 40 GLU HB3 H 1 1.66 0.02 . 2 . . . . . . . . 6261 1 473 . 1 1 40 40 GLU HG2 H 1 0.62 0.02 . 2 . . . . . . . . 6261 1 474 . 1 1 40 40 GLU HG3 H 1 1.25 0.02 . 2 . . . . . . . . 6261 1 475 . 1 1 40 40 GLU CA C 13 55.69 0.2 . 1 . . . . . . . . 6261 1 476 . 1 1 40 40 GLU CB C 13 30.83 0.2 . 1 . . . . . . . . 6261 1 477 . 1 1 40 40 GLU CG C 13 34.81 0.2 . 1 . . . . . . . . 6261 1 478 . 1 1 40 40 GLU N N 15 123.99 0.2 . 1 . . . . . . . . 6261 1 479 . 1 1 40 40 GLU C C 13 174.58 0.2 . 1 . . . . . . . . 6261 1 480 . 1 1 41 41 HIS H H 1 8.23 0.02 . 1 . . . . . . . . 6261 1 481 . 1 1 41 41 HIS HA H 1 4.98 0.02 . 1 . . . . . . . . 6261 1 482 . 1 1 41 41 HIS HB2 H 1 3.33 0.02 . 1 . . . . . . . . 6261 1 483 . 1 1 41 41 HIS HB3 H 1 3.33 0.02 . 1 . . . . . . . . 6261 1 484 . 1 1 41 41 HIS HD2 H 1 6.99 0.02 . 1 . . . . . . . . 6261 1 485 . 1 1 41 41 HIS HE1 H 1 7.80 0.02 . 1 . . . . . . . . 6261 1 486 . 1 1 41 41 HIS CA C 13 54.52 0.2 . 1 . . . . . . . . 6261 1 487 . 1 1 41 41 HIS CB C 13 30.23 0.2 . 1 . . . . . . . . 6261 1 488 . 1 1 41 41 HIS CD2 C 13 120.34 0.2 . 1 . . . . . . . . 6261 1 489 . 1 1 41 41 HIS N N 15 123.81 0.2 . 1 . . . . . . . . 6261 1 490 . 1 1 41 41 HIS C C 13 174.97 0.2 . 1 . . . . . . . . 6261 1 491 . 1 1 42 42 GLY H H 1 8.54 0.02 . 1 . . . . . . . . 6261 1 492 . 1 1 42 42 GLY HA2 H 1 3.76 0.02 . 2 . . . . . . . . 6261 1 493 . 1 1 42 42 GLY HA3 H 1 4.26 0.02 . 2 . . . . . . . . 6261 1 494 . 1 1 42 42 GLY CA C 13 46.81 0.2 . 1 . . . . . . . . 6261 1 495 . 1 1 42 42 GLY N N 15 111.97 0.2 . 1 . . . . . . . . 6261 1 496 . 1 1 42 42 GLY C C 13 175.56 0.2 . 1 . . . . . . . . 6261 1 497 . 1 1 43 43 GLU H H 1 9.02 0.02 . 1 . . . . . . . . 6261 1 498 . 1 1 43 43 GLU HA H 1 4.02 0.02 . 1 . . . . . . . . 6261 1 499 . 1 1 43 43 GLU HB2 H 1 1.83 0.02 . 2 . . . . . . . . 6261 1 500 . 1 1 43 43 GLU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 6261 1 501 . 1 1 43 43 GLU HG2 H 1 2.05 0.02 . 2 . . . . . . . . 6261 1 502 . 1 1 43 43 GLU HG3 H 1 2.11 0.02 . 2 . . . . . . . . 6261 1 503 . 1 1 43 43 GLU CA C 13 57.65 0.2 . 1 . . . . . . . . 6261 1 504 . 1 1 43 43 GLU CB C 13 29.88 0.2 . 1 . . . . . . . . 6261 1 505 . 1 1 43 43 GLU CG C 13 36.60 0.2 . 1 . . . . . . . . 6261 1 506 . 1 1 43 43 GLU N N 15 125.61 0.2 . 1 . . . . . . . . 6261 1 507 . 1 1 43 43 GLU C C 13 174.38 0.2 . 1 . . . . . . . . 6261 1 508 . 1 1 44 44 TRP H H 1 7.69 0.02 . 1 . . . . . . . . 6261 1 509 . 1 1 44 44 TRP HA H 1 5.21 0.02 . 1 . . . . . . . . 6261 1 510 . 1 1 44 44 TRP HB2 H 1 3.04 0.02 . 2 . . . . . . . . 6261 1 511 . 1 1 44 44 TRP HB3 H 1 3.08 0.02 . 2 . . . . . . . . 6261 1 512 . 1 1 44 44 TRP HD1 H 1 7.19 0.02 . 1 . . . . . . . . 6261 1 513 . 1 1 44 44 TRP HE1 H 1 10.01 0.02 . 1 . . . . . . . . 6261 1 514 . 1 1 44 44 TRP HE3 H 1 7.31 0.02 . 1 . . . . . . . . 6261 1 515 . 1 1 44 44 TRP HZ2 H 1 7.46 0.02 . 1 . . . . . . . . 6261 1 516 . 1 1 44 44 TRP HZ3 H 1 6.75 0.02 . 1 . . . . . . . . 6261 1 517 . 1 1 44 44 TRP HH2 H 1 7.32 0.02 . 1 . . . . . . . . 6261 1 518 . 1 1 44 44 TRP CA C 13 55.66 0.2 . 1 . . . . . . . . 6261 1 519 . 1 1 44 44 TRP CB C 13 31.06 0.2 . 1 . . . . . . . . 6261 1 520 . 1 1 44 44 TRP N N 15 119.91 0.2 . 1 . . . . . . . . 6261 1 521 . 1 1 44 44 TRP NE1 N 15 129.02 0.2 . 1 . . . . . . . . 6261 1 522 . 1 1 44 44 TRP C C 13 175.65 0.2 . 1 . . . . . . . . 6261 1 523 . 1 1 45 45 TRP H H 1 9.35 0.02 . 1 . . . . . . . . 6261 1 524 . 1 1 45 45 TRP HA H 1 5.64 0.02 . 1 . . . . . . . . 6261 1 525 . 1 1 45 45 TRP HB2 H 1 2.99 0.02 . 2 . . . . . . . . 6261 1 526 . 1 1 45 45 TRP HB3 H 1 3.25 0.02 . 2 . . . . . . . . 6261 1 527 . 1 1 45 45 TRP HD1 H 1 7.09 0.02 . 1 . . . . . . . . 6261 1 528 . 1 1 45 45 TRP HE1 H 1 9.95 0.02 . 1 . . . . . . . . 6261 1 529 . 1 1 45 45 TRP HE3 H 1 7.11 0.02 . 1 . . . . . . . . 6261 1 530 . 1 1 45 45 TRP HZ2 H 1 7.46 0.02 . 1 . . . . . . . . 6261 1 531 . 1 1 45 45 TRP HZ3 H 1 6.76 0.02 . 1 . . . . . . . . 6261 1 532 . 1 1 45 45 TRP HH2 H 1 7.12 0.02 . 1 . . . . . . . . 6261 1 533 . 1 1 45 45 TRP CA C 13 53.09 0.2 . 1 . . . . . . . . 6261 1 534 . 1 1 45 45 TRP CB C 13 31.71 0.2 . 1 . . . . . . . . 6261 1 535 . 1 1 45 45 TRP N N 15 123.60 0.2 . 1 . . . . . . . . 6261 1 536 . 1 1 45 45 TRP NE1 N 15 128.71 0.2 . 1 . . . . . . . . 6261 1 537 . 1 1 45 45 TRP C C 13 175.18 0.2 . 1 . . . . . . . . 6261 1 538 . 1 1 46 46 LYS H H 1 9.28 0.02 . 1 . . . . . . . . 6261 1 539 . 1 1 46 46 LYS HA H 1 4.53 0.02 . 1 . . . . . . . . 6261 1 540 . 1 1 46 46 LYS HB2 H 1 1.41 0.02 . 2 . . . . . . . . 6261 1 541 . 1 1 46 46 LYS HB3 H 1 1.66 0.02 . 2 . . . . . . . . 6261 1 542 . 1 1 46 46 LYS HG2 H 1 0.65 0.02 . 2 . . . . . . . . 6261 1 543 . 1 1 46 46 LYS HG3 H 1 1.07 0.02 . 2 . . . . . . . . 6261 1 544 . 1 1 46 46 LYS HD2 H 1 1.33 0.02 . 1 . . . . . . . . 6261 1 545 . 1 1 46 46 LYS HD3 H 1 1.33 0.02 . 1 . . . . . . . . 6261 1 546 . 1 1 46 46 LYS HE2 H 1 2.55 0.02 . 2 . . . . . . . . 6261 1 547 . 1 1 46 46 LYS HE3 H 1 2.58 0.02 . 2 . . . . . . . . 6261 1 548 . 1 1 46 46 LYS CA C 13 56.09 0.2 . 1 . . . . . . . . 6261 1 549 . 1 1 46 46 LYS CB C 13 34.27 0.2 . 1 . . . . . . . . 6261 1 550 . 1 1 46 46 LYS CG C 13 25.72 0.2 . 1 . . . . . . . . 6261 1 551 . 1 1 46 46 LYS CD C 13 28.89 0.2 . 1 . . . . . . . . 6261 1 552 . 1 1 46 46 LYS CE C 13 41.83 0.2 . 1 . . . . . . . . 6261 1 553 . 1 1 46 46 LYS N N 15 123.90 0.2 . 1 . . . . . . . . 6261 1 554 . 1 1 46 46 LYS C C 13 175.64 0.2 . 1 . . . . . . . . 6261 1 555 . 1 1 47 47 ALA H H 1 9.49 0.02 . 1 . . . . . . . . 6261 1 556 . 1 1 47 47 ALA HA H 1 5.38 0.02 . 1 . . . . . . . . 6261 1 557 . 1 1 47 47 ALA HB1 H 1 1.21 0.02 . 1 . . . . . . . . 6261 1 558 . 1 1 47 47 ALA HB2 H 1 1.21 0.02 . 1 . . . . . . . . 6261 1 559 . 1 1 47 47 ALA HB3 H 1 1.21 0.02 . 1 . . . . . . . . 6261 1 560 . 1 1 47 47 ALA CA C 13 50.81 0.2 . 1 . . . . . . . . 6261 1 561 . 1 1 47 47 ALA CB C 13 25.02 0.2 . 1 . . . . . . . . 6261 1 562 . 1 1 47 47 ALA N N 15 107.32 0.2 . 1 . . . . . . . . 6261 1 563 . 1 1 47 47 ALA C C 13 175.12 0.2 . 1 . . . . . . . . 6261 1 564 . 1 1 48 48 LYS H H 1 8.78 0.02 . 1 . . . . . . . . 6261 1 565 . 1 1 48 48 LYS HA H 1 5.25 0.02 . 1 . . . . . . . . 6261 1 566 . 1 1 48 48 LYS HB2 H 1 1.54 0.02 . 2 . . . . . . . . 6261 1 567 . 1 1 48 48 LYS HB3 H 1 1.67 0.02 . 2 . . . . . . . . 6261 1 568 . 1 1 48 48 LYS HG2 H 1 1.08 0.02 . 2 . . . . . . . . 6261 1 569 . 1 1 48 48 LYS HG3 H 1 1.18 0.02 . 2 . . . . . . . . 6261 1 570 . 1 1 48 48 LYS HD2 H 1 1.62 0.02 . 1 . . . . . . . . 6261 1 571 . 1 1 48 48 LYS HD3 H 1 1.62 0.02 . 1 . . . . . . . . 6261 1 572 . 1 1 48 48 LYS HE2 H 1 2.90 0.02 . 2 . . . . . . . . 6261 1 573 . 1 1 48 48 LYS HE3 H 1 2.98 0.02 . 2 . . . . . . . . 6261 1 574 . 1 1 48 48 LYS CA C 13 53.61 0.2 . 1 . . . . . . . . 6261 1 575 . 1 1 48 48 LYS CB C 13 37.53 0.2 . 1 . . . . . . . . 6261 1 576 . 1 1 48 48 LYS CG C 13 24.38 0.2 . 1 . . . . . . . . 6261 1 577 . 1 1 48 48 LYS CD C 13 30.20 0.2 . 1 . . . . . . . . 6261 1 578 . 1 1 48 48 LYS CE C 13 42.12 0.2 . 1 . . . . . . . . 6261 1 579 . 1 1 48 48 LYS N N 15 118.20 0.2 . 1 . . . . . . . . 6261 1 580 . 1 1 48 48 LYS C C 13 173.52 0.2 . 1 . . . . . . . . 6261 1 581 . 1 1 49 49 SER H H 1 8.94 0.02 . 1 . . . . . . . . 6261 1 582 . 1 1 49 49 SER HA H 1 4.59 0.02 . 1 . . . . . . . . 6261 1 583 . 1 1 49 49 SER HB2 H 1 4.17 0.02 . 1 . . . . . . . . 6261 1 584 . 1 1 49 49 SER HB3 H 1 4.17 0.02 . 1 . . . . . . . . 6261 1 585 . 1 1 49 49 SER CA C 13 58.58 0.2 . 1 . . . . . . . . 6261 1 586 . 1 1 49 49 SER CB C 13 62.98 0.2 . 1 . . . . . . . . 6261 1 587 . 1 1 49 49 SER N N 15 119.47 0.2 . 1 . . . . . . . . 6261 1 588 . 1 1 49 49 SER C C 13 176.61 0.2 . 1 . . . . . . . . 6261 1 589 . 1 1 50 50 LEU H H 1 9.22 0.02 . 1 . . . . . . . . 6261 1 590 . 1 1 50 50 LEU HA H 1 4.26 0.02 . 1 . . . . . . . . 6261 1 591 . 1 1 50 50 LEU HB2 H 1 1.70 0.02 . 1 . . . . . . . . 6261 1 592 . 1 1 50 50 LEU HB3 H 1 1.70 0.02 . 1 . . . . . . . . 6261 1 593 . 1 1 50 50 LEU HG H 1 1.61 0.02 . 1 . . . . . . . . 6261 1 594 . 1 1 50 50 LEU HD11 H 1 0.99 0.02 . 2 . . . . . . . . 6261 1 595 . 1 1 50 50 LEU HD12 H 1 0.99 0.02 . 2 . . . . . . . . 6261 1 596 . 1 1 50 50 LEU HD13 H 1 0.99 0.02 . 2 . . . . . . . . 6261 1 597 . 1 1 50 50 LEU HD21 H 1 0.85 0.02 . 2 . . . . . . . . 6261 1 598 . 1 1 50 50 LEU HD22 H 1 0.85 0.02 . 2 . . . . . . . . 6261 1 599 . 1 1 50 50 LEU HD23 H 1 0.85 0.02 . 2 . . . . . . . . 6261 1 600 . 1 1 50 50 LEU CA C 13 56.92 0.2 . 1 . . . . . . . . 6261 1 601 . 1 1 50 50 LEU CB C 13 40.47 0.2 . 1 . . . . . . . . 6261 1 602 . 1 1 50 50 LEU CG C 13 28.47 0.2 . 1 . . . . . . . . 6261 1 603 . 1 1 50 50 LEU CD1 C 13 23.25 0.2 . 2 . . . . . . . . 6261 1 604 . 1 1 50 50 LEU CD2 C 13 22.93 0.2 . 2 . . . . . . . . 6261 1 605 . 1 1 50 50 LEU N N 15 106.22 0.2 . 1 . . . . . . . . 6261 1 606 . 1 1 50 50 LEU C C 13 177.77 0.2 . 1 . . . . . . . . 6261 1 607 . 1 1 51 51 LEU H H 1 8.51 0.02 . 1 . . . . . . . . 6261 1 608 . 1 1 51 51 LEU HA H 1 4.49 0.02 . 1 . . . . . . . . 6261 1 609 . 1 1 51 51 LEU HB2 H 1 1.86 0.02 . 1 . . . . . . . . 6261 1 610 . 1 1 51 51 LEU HB3 H 1 1.86 0.02 . 1 . . . . . . . . 6261 1 611 . 1 1 51 51 LEU HG H 1 1.55 0.02 . 1 . . . . . . . . 6261 1 612 . 1 1 51 51 LEU HD11 H 1 0.92 0.02 . 2 . . . . . . . . 6261 1 613 . 1 1 51 51 LEU HD12 H 1 0.92 0.02 . 2 . . . . . . . . 6261 1 614 . 1 1 51 51 LEU HD13 H 1 0.92 0.02 . 2 . . . . . . . . 6261 1 615 . 1 1 51 51 LEU HD21 H 1 0.87 0.02 . 2 . . . . . . . . 6261 1 616 . 1 1 51 51 LEU HD22 H 1 0.87 0.02 . 2 . . . . . . . . 6261 1 617 . 1 1 51 51 LEU HD23 H 1 0.87 0.02 . 2 . . . . . . . . 6261 1 618 . 1 1 51 51 LEU CA C 13 56.86 0.2 . 1 . . . . . . . . 6261 1 619 . 1 1 51 51 LEU CB C 13 43.43 0.2 . 1 . . . . . . . . 6261 1 620 . 1 1 51 51 LEU CG C 13 27.13 0.2 . 1 . . . . . . . . 6261 1 621 . 1 1 51 51 LEU CD1 C 13 24.92 0.2 . 2 . . . . . . . . 6261 1 622 . 1 1 51 51 LEU CD2 C 13 23.54 0.2 . 2 . . . . . . . . 6261 1 623 . 1 1 51 51 LEU N N 15 121.11 0.2 . 1 . . . . . . . . 6261 1 624 . 1 1 51 51 LEU C C 13 177.18 0.2 . 1 . . . . . . . . 6261 1 625 . 1 1 52 52 THR H H 1 8.40 0.02 . 1 . . . . . . . . 6261 1 626 . 1 1 52 52 THR HA H 1 4.36 0.02 . 1 . . . . . . . . 6261 1 627 . 1 1 52 52 THR HB H 1 4.49 0.02 . 1 . . . . . . . . 6261 1 628 . 1 1 52 52 THR HG21 H 1 1.32 0.02 . 1 . . . . . . . . 6261 1 629 . 1 1 52 52 THR HG22 H 1 1.32 0.02 . 1 . . . . . . . . 6261 1 630 . 1 1 52 52 THR HG23 H 1 1.32 0.02 . 1 . . . . . . . . 6261 1 631 . 1 1 52 52 THR CA C 13 61.83 0.2 . 1 . . . . . . . . 6261 1 632 . 1 1 52 52 THR CB C 13 71.32 0.2 . 1 . . . . . . . . 6261 1 633 . 1 1 52 52 THR N N 15 106.39 0.2 . 1 . . . . . . . . 6261 1 634 . 1 1 52 52 THR C C 13 178.65 0.2 . 1 . . . . . . . . 6261 1 635 . 1 1 53 53 LYS H H 1 7.54 0.02 . 1 . . . . . . . . 6261 1 636 . 1 1 53 53 LYS HA H 1 4.17 0.02 . 1 . . . . . . . . 6261 1 637 . 1 1 53 53 LYS HB2 H 1 2.02 0.02 . 2 . . . . . . . . 6261 1 638 . 1 1 53 53 LYS HB3 H 1 2.32 0.02 . 2 . . . . . . . . 6261 1 639 . 1 1 53 53 LYS HG2 H 1 1.39 0.02 . 1 . . . . . . . . 6261 1 640 . 1 1 53 53 LYS HG3 H 1 1.39 0.02 . 1 . . . . . . . . 6261 1 641 . 1 1 53 53 LYS HD2 H 1 1.72 0.02 . 1 . . . . . . . . 6261 1 642 . 1 1 53 53 LYS HD3 H 1 1.72 0.02 . 1 . . . . . . . . 6261 1 643 . 1 1 53 53 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 6261 1 644 . 1 1 53 53 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . 6261 1 645 . 1 1 53 53 LYS CA C 13 58.45 0.2 . 1 . . . . . . . . 6261 1 646 . 1 1 53 53 LYS CB C 13 29.52 0.2 . 1 . . . . . . . . 6261 1 647 . 1 1 53 53 LYS CG C 13 25.60 0.2 . 1 . . . . . . . . 6261 1 648 . 1 1 53 53 LYS CD C 13 29.86 0.2 . 1 . . . . . . . . 6261 1 649 . 1 1 53 53 LYS CE C 13 42.30 0.2 . 1 . . . . . . . . 6261 1 650 . 1 1 53 53 LYS N N 15 113.90 0.2 . 1 . . . . . . . . 6261 1 651 . 1 1 53 53 LYS C C 13 176.08 0.2 . 1 . . . . . . . . 6261 1 652 . 1 1 54 54 LYS H H 1 7.65 0.02 . 1 . . . . . . . . 6261 1 653 . 1 1 54 54 LYS HA H 1 4.34 0.02 . 1 . . . . . . . . 6261 1 654 . 1 1 54 54 LYS HB2 H 1 1.71 0.02 . 2 . . . . . . . . 6261 1 655 . 1 1 54 54 LYS HB3 H 1 1.88 0.02 . 2 . . . . . . . . 6261 1 656 . 1 1 54 54 LYS HG2 H 1 1.49 0.02 . 1 . . . . . . . . 6261 1 657 . 1 1 54 54 LYS HG3 H 1 1.49 0.02 . 1 . . . . . . . . 6261 1 658 . 1 1 54 54 LYS HD2 H 1 1.77 0.02 . 1 . . . . . . . . 6261 1 659 . 1 1 54 54 LYS HD3 H 1 1.77 0.02 . 1 . . . . . . . . 6261 1 660 . 1 1 54 54 LYS HE2 H 1 3.07 0.02 . 1 . . . . . . . . 6261 1 661 . 1 1 54 54 LYS HE3 H 1 3.07 0.02 . 1 . . . . . . . . 6261 1 662 . 1 1 54 54 LYS CA C 13 56.89 0.2 . 1 . . . . . . . . 6261 1 663 . 1 1 54 54 LYS CB C 13 33.65 0.2 . 1 . . . . . . . . 6261 1 664 . 1 1 54 54 LYS CG C 13 25.92 0.2 . 1 . . . . . . . . 6261 1 665 . 1 1 54 54 LYS CD C 13 29.12 0.2 . 1 . . . . . . . . 6261 1 666 . 1 1 54 54 LYS CE C 13 42.36 0.2 . 1 . . . . . . . . 6261 1 667 . 1 1 54 54 LYS N N 15 120.45 0.2 . 1 . . . . . . . . 6261 1 668 . 1 1 54 54 LYS C C 13 175.24 0.2 . 1 . . . . . . . . 6261 1 669 . 1 1 55 55 GLU H H 1 8.45 0.02 . 1 . . . . . . . . 6261 1 670 . 1 1 55 55 GLU HA H 1 5.70 0.02 . 1 . . . . . . . . 6261 1 671 . 1 1 55 55 GLU HB2 H 1 1.82 0.02 . 2 . . . . . . . . 6261 1 672 . 1 1 55 55 GLU HB3 H 1 1.84 0.02 . 2 . . . . . . . . 6261 1 673 . 1 1 55 55 GLU HG2 H 1 2.01 0.02 . 2 . . . . . . . . 6261 1 674 . 1 1 55 55 GLU HG3 H 1 2.22 0.02 . 2 . . . . . . . . 6261 1 675 . 1 1 55 55 GLU CA C 13 53.71 0.2 . 1 . . . . . . . . 6261 1 676 . 1 1 55 55 GLU CB C 13 34.07 0.2 . 1 . . . . . . . . 6261 1 677 . 1 1 55 55 GLU CG C 13 36.28 0.2 . 1 . . . . . . . . 6261 1 678 . 1 1 55 55 GLU N N 15 117.99 0.2 . 1 . . . . . . . . 6261 1 679 . 1 1 55 55 GLU C C 13 174.65 0.2 . 1 . . . . . . . . 6261 1 680 . 1 1 56 56 GLY H H 1 8.75 0.02 . 1 . . . . . . . . 6261 1 681 . 1 1 56 56 GLY HA2 H 1 3.96 0.02 . 2 . . . . . . . . 6261 1 682 . 1 1 56 56 GLY HA3 H 1 4.16 0.02 . 2 . . . . . . . . 6261 1 683 . 1 1 56 56 GLY CA C 13 45.50 0.2 . 1 . . . . . . . . 6261 1 684 . 1 1 56 56 GLY N N 15 107.58 0.2 . 1 . . . . . . . . 6261 1 685 . 1 1 56 56 GLY C C 13 176.69 0.2 . 1 . . . . . . . . 6261 1 686 . 1 1 57 57 PHE H H 1 9.08 0.02 . 1 . . . . . . . . 6261 1 687 . 1 1 57 57 PHE HA H 1 5.59 0.02 . 1 . . . . . . . . 6261 1 688 . 1 1 57 57 PHE HB2 H 1 3.12 0.02 . 2 . . . . . . . . 6261 1 689 . 1 1 57 57 PHE HB3 H 1 3.17 0.02 . 2 . . . . . . . . 6261 1 690 . 1 1 57 57 PHE HD1 H 1 7.17 0.02 . 1 . . . . . . . . 6261 1 691 . 1 1 57 57 PHE HD2 H 1 7.17 0.02 . 1 . . . . . . . . 6261 1 692 . 1 1 57 57 PHE HE1 H 1 7.16 0.02 . 1 . . . . . . . . 6261 1 693 . 1 1 57 57 PHE HE2 H 1 7.16 0.02 . 1 . . . . . . . . 6261 1 694 . 1 1 57 57 PHE HZ H 1 7.16 0.02 . 1 . . . . . . . . 6261 1 695 . 1 1 57 57 PHE CA C 13 58.99 0.2 . 1 . . . . . . . . 6261 1 696 . 1 1 57 57 PHE CB C 13 41.12 0.2 . 1 . . . . . . . . 6261 1 697 . 1 1 57 57 PHE N N 15 119.57 0.2 . 1 . . . . . . . . 6261 1 698 . 1 1 57 57 PHE C C 13 171.31 0.2 . 1 . . . . . . . . 6261 1 699 . 1 1 58 58 ILE H H 1 9.74 0.02 . 1 . . . . . . . . 6261 1 700 . 1 1 58 58 ILE HA H 1 5.27 0.02 . 1 . . . . . . . . 6261 1 701 . 1 1 58 58 ILE HB H 1 1.63 0.02 . 1 . . . . . . . . 6261 1 702 . 1 1 58 58 ILE HG12 H 1 1.23 0.02 . 2 . . . . . . . . 6261 1 703 . 1 1 58 58 ILE HG13 H 1 1.51 0.02 . 2 . . . . . . . . 6261 1 704 . 1 1 58 58 ILE HG21 H 1 1.14 0.02 . 1 . . . . . . . . 6261 1 705 . 1 1 58 58 ILE HG22 H 1 1.14 0.02 . 1 . . . . . . . . 6261 1 706 . 1 1 58 58 ILE HG23 H 1 1.14 0.02 . 1 . . . . . . . . 6261 1 707 . 1 1 58 58 ILE HD11 H 1 0.56 0.02 . 1 . . . . . . . . 6261 1 708 . 1 1 58 58 ILE HD12 H 1 0.56 0.02 . 1 . . . . . . . . 6261 1 709 . 1 1 58 58 ILE HD13 H 1 0.56 0.02 . 1 . . . . . . . . 6261 1 710 . 1 1 58 58 ILE CA C 13 57.31 0.2 . 1 . . . . . . . . 6261 1 711 . 1 1 58 58 ILE CB C 13 40.56 0.2 . 1 . . . . . . . . 6261 1 712 . 1 1 58 58 ILE CG1 C 13 25.01 0.2 . 1 . . . . . . . . 6261 1 713 . 1 1 58 58 ILE CG2 C 13 22.12 0.2 . 1 . . . . . . . . 6261 1 714 . 1 1 58 58 ILE CD1 C 13 14.91 0.2 . 1 . . . . . . . . 6261 1 715 . 1 1 58 58 ILE N N 15 113.13 0.2 . 1 . . . . . . . . 6261 1 716 . 1 1 58 58 ILE C C 13 176.57 0.2 . 1 . . . . . . . . 6261 1 717 . 1 1 59 59 PRO HA H 1 3.72 0.02 . 1 . . . . . . . . 6261 1 718 . 1 1 59 59 PRO HB2 H 1 1.04 0.02 . 2 . . . . . . . . 6261 1 719 . 1 1 59 59 PRO HB3 H 1 1.42 0.02 . 2 . . . . . . . . 6261 1 720 . 1 1 59 59 PRO HG2 H 1 0.44 0.02 . 2 . . . . . . . . 6261 1 721 . 1 1 59 59 PRO HG3 H 1 0.69 0.02 . 2 . . . . . . . . 6261 1 722 . 1 1 59 59 PRO HD2 H 1 2.93 0.02 . 2 . . . . . . . . 6261 1 723 . 1 1 59 59 PRO HD3 H 1 2.97 0.02 . 2 . . . . . . . . 6261 1 724 . 1 1 59 59 PRO CA C 13 60.86 0.2 . 1 . . . . . . . . 6261 1 725 . 1 1 59 59 PRO CB C 13 29.90 0.2 . 1 . . . . . . . . 6261 1 726 . 1 1 59 59 PRO CG C 13 26.43 0.2 . 1 . . . . . . . . 6261 1 727 . 1 1 59 59 PRO CD C 13 50.02 0.2 . 1 . . . . . . . . 6261 1 728 . 1 1 60 60 SER H H 1 7.77 0.02 . 1 . . . . . . . . 6261 1 729 . 1 1 60 60 SER HA H 1 2.67 0.02 . 1 . . . . . . . . 6261 1 730 . 1 1 60 60 SER HB2 H 1 1.74 0.02 . 2 . . . . . . . . 6261 1 731 . 1 1 60 60 SER HB3 H 1 2.16 0.02 . 2 . . . . . . . . 6261 1 732 . 1 1 60 60 SER CA C 13 60.96 0.2 . 1 . . . . . . . . 6261 1 733 . 1 1 60 60 SER CB C 13 60.95 0.2 . 1 . . . . . . . . 6261 1 734 . 1 1 60 60 SER N N 15 121.85 0.2 . 1 . . . . . . . . 6261 1 735 . 1 1 60 60 SER C C 13 178.78 0.2 . 1 . . . . . . . . 6261 1 736 . 1 1 61 61 ASN H H 1 8.17 0.02 . 1 . . . . . . . . 6261 1 737 . 1 1 61 61 ASN HA H 1 4.61 0.02 . 1 . . . . . . . . 6261 1 738 . 1 1 61 61 ASN HB2 H 1 2.69 0.02 . 2 . . . . . . . . 6261 1 739 . 1 1 61 61 ASN HB3 H 1 2.96 0.02 . 2 . . . . . . . . 6261 1 740 . 1 1 61 61 ASN HD21 H 1 7.45 0.02 . 1 . . . . . . . . 6261 1 741 . 1 1 61 61 ASN HD22 H 1 6.62 0.02 . 1 . . . . . . . . 6261 1 742 . 1 1 61 61 ASN CA C 13 53.68 0.2 . 1 . . . . . . . . 6261 1 743 . 1 1 61 61 ASN CB C 13 36.65 0.2 . 1 . . . . . . . . 6261 1 744 . 1 1 61 61 ASN N N 15 115.76 0.2 . 1 . . . . . . . . 6261 1 745 . 1 1 61 61 ASN ND2 N 15 111.48 0.2 . 1 . . . . . . . . 6261 1 746 . 1 1 61 61 ASN C C 13 174.67 0.2 . 1 . . . . . . . . 6261 1 747 . 1 1 62 62 TYR H H 1 7.86 0.02 . 1 . . . . . . . . 6261 1 748 . 1 1 62 62 TYR HA H 1 4.75 0.02 . 1 . . . . . . . . 6261 1 749 . 1 1 62 62 TYR HB2 H 1 3.35 0.02 . 2 . . . . . . . . 6261 1 750 . 1 1 62 62 TYR HB3 H 1 3.64 0.02 . 2 . . . . . . . . 6261 1 751 . 1 1 62 62 TYR HD1 H 1 7.13 0.02 . 1 . . . . . . . . 6261 1 752 . 1 1 62 62 TYR HD2 H 1 7.13 0.02 . 1 . . . . . . . . 6261 1 753 . 1 1 62 62 TYR HE1 H 1 7.12 0.02 . 1 . . . . . . . . 6261 1 754 . 1 1 62 62 TYR HE2 H 1 7.12 0.02 . 1 . . . . . . . . 6261 1 755 . 1 1 62 62 TYR CA C 13 58.57 0.2 . 1 . . . . . . . . 6261 1 756 . 1 1 62 62 TYR CB C 13 39.26 0.2 . 1 . . . . . . . . 6261 1 757 . 1 1 62 62 TYR N N 15 119.61 0.2 . 1 . . . . . . . . 6261 1 758 . 1 1 62 62 TYR C C 13 175.70 0.2 . 1 . . . . . . . . 6261 1 759 . 1 1 63 63 VAL H H 1 7.16 0.02 . 1 . . . . . . . . 6261 1 760 . 1 1 63 63 VAL HA H 1 5.30 0.02 . 1 . . . . . . . . 6261 1 761 . 1 1 63 63 VAL HB H 1 1.73 0.02 . 1 . . . . . . . . 6261 1 762 . 1 1 63 63 VAL HG11 H 1 0.38 0.02 . 2 . . . . . . . . 6261 1 763 . 1 1 63 63 VAL HG12 H 1 0.38 0.02 . 2 . . . . . . . . 6261 1 764 . 1 1 63 63 VAL HG13 H 1 0.38 0.02 . 2 . . . . . . . . 6261 1 765 . 1 1 63 63 VAL HG21 H 1 0.61 0.02 . 2 . . . . . . . . 6261 1 766 . 1 1 63 63 VAL HG22 H 1 0.61 0.02 . 2 . . . . . . . . 6261 1 767 . 1 1 63 63 VAL HG23 H 1 0.61 0.02 . 2 . . . . . . . . 6261 1 768 . 1 1 63 63 VAL CA C 13 58.26 0.2 . 1 . . . . . . . . 6261 1 769 . 1 1 63 63 VAL CB C 13 35.88 0.2 . 1 . . . . . . . . 6261 1 770 . 1 1 63 63 VAL CG1 C 13 21.47 0.2 . 2 . . . . . . . . 6261 1 771 . 1 1 63 63 VAL CG2 C 13 18.05 0.2 . 2 . . . . . . . . 6261 1 772 . 1 1 63 63 VAL N N 15 108.70 0.2 . 1 . . . . . . . . 6261 1 773 . 1 1 63 63 VAL C C 13 175.06 0.2 . 1 . . . . . . . . 6261 1 774 . 1 1 64 64 ALA H H 1 8.49 0.02 . 1 . . . . . . . . 6261 1 775 . 1 1 64 64 ALA HA H 1 4.80 0.02 . 1 . . . . . . . . 6261 1 776 . 1 1 64 64 ALA HB1 H 1 1.33 0.02 . 1 . . . . . . . . 6261 1 777 . 1 1 64 64 ALA HB2 H 1 1.33 0.02 . 1 . . . . . . . . 6261 1 778 . 1 1 64 64 ALA HB3 H 1 1.33 0.02 . 1 . . . . . . . . 6261 1 779 . 1 1 64 64 ALA CA C 13 50.36 0.2 . 1 . . . . . . . . 6261 1 780 . 1 1 64 64 ALA CB C 13 22.92 0.2 . 1 . . . . . . . . 6261 1 781 . 1 1 64 64 ALA N N 15 120.87 0.2 . 1 . . . . . . . . 6261 1 782 . 1 1 64 64 ALA C C 13 173.52 0.2 . 1 . . . . . . . . 6261 1 783 . 1 1 65 65 LYS H H 1 8.73 0.02 . 1 . . . . . . . . 6261 1 784 . 1 1 65 65 LYS HA H 1 4.40 0.02 . 1 . . . . . . . . 6261 1 785 . 1 1 65 65 LYS HB2 H 1 1.78 0.02 . 2 . . . . . . . . 6261 1 786 . 1 1 65 65 LYS HB3 H 1 1.88 0.02 . 2 . . . . . . . . 6261 1 787 . 1 1 65 65 LYS HG2 H 1 1.38 0.02 . 2 . . . . . . . . 6261 1 788 . 1 1 65 65 LYS HG3 H 1 1.64 0.02 . 2 . . . . . . . . 6261 1 789 . 1 1 65 65 LYS HD2 H 1 1.70 0.02 . 1 . . . . . . . . 6261 1 790 . 1 1 65 65 LYS HD3 H 1 1.70 0.02 . 1 . . . . . . . . 6261 1 791 . 1 1 65 65 LYS HE2 H 1 2.81 0.02 . 2 . . . . . . . . 6261 1 792 . 1 1 65 65 LYS HE3 H 1 2.90 0.02 . 2 . . . . . . . . 6261 1 793 . 1 1 65 65 LYS CA C 13 57.40 0.2 . 1 . . . . . . . . 6261 1 794 . 1 1 65 65 LYS CB C 13 32.88 0.2 . 1 . . . . . . . . 6261 1 795 . 1 1 65 65 LYS CG C 13 26.00 0.2 . 1 . . . . . . . . 6261 1 796 . 1 1 65 65 LYS CD C 13 29.36 0.2 . 1 . . . . . . . . 6261 1 797 . 1 1 65 65 LYS CE C 13 42.20 0.2 . 1 . . . . . . . . 6261 1 798 . 1 1 65 65 LYS N N 15 120.92 0.2 . 1 . . . . . . . . 6261 1 799 . 1 1 65 65 LYS C C 13 176.81 0.2 . 1 . . . . . . . . 6261 1 800 . 1 1 66 66 LEU H H 1 8.28 0.02 . 1 . . . . . . . . 6261 1 801 . 1 1 66 66 LEU HA H 1 4.32 0.02 . 1 . . . . . . . . 6261 1 802 . 1 1 66 66 LEU HB2 H 1 1.42 0.02 . 2 . . . . . . . . 6261 1 803 . 1 1 66 66 LEU HB3 H 1 1.59 0.02 . 2 . . . . . . . . 6261 1 804 . 1 1 66 66 LEU HG H 1 1.55 0.02 . 1 . . . . . . . . 6261 1 805 . 1 1 66 66 LEU HD11 H 1 0.81 0.02 . 1 . . . . . . . . 6261 1 806 . 1 1 66 66 LEU HD12 H 1 0.81 0.02 . 1 . . . . . . . . 6261 1 807 . 1 1 66 66 LEU HD13 H 1 0.81 0.02 . 1 . . . . . . . . 6261 1 808 . 1 1 66 66 LEU HD21 H 1 0.81 0.02 . 1 . . . . . . . . 6261 1 809 . 1 1 66 66 LEU HD22 H 1 0.81 0.02 . 1 . . . . . . . . 6261 1 810 . 1 1 66 66 LEU HD23 H 1 0.81 0.02 . 1 . . . . . . . . 6261 1 811 . 1 1 66 66 LEU CA C 13 55.42 0.2 . 1 . . . . . . . . 6261 1 812 . 1 1 66 66 LEU CB C 13 42.89 0.2 . 1 . . . . . . . . 6261 1 813 . 1 1 66 66 LEU CG C 13 27.13 0.2 . 1 . . . . . . . . 6261 1 814 . 1 1 66 66 LEU CD1 C 13 24.34 0.2 . 2 . . . . . . . . 6261 1 815 . 1 1 66 66 LEU N N 15 124.22 0.2 . 1 . . . . . . . . 6261 1 816 . 1 1 66 66 LEU C C 13 176.85 0.2 . 1 . . . . . . . . 6261 1 817 . 1 1 67 67 ASN H H 1 8.58 0.02 . 1 . . . . . . . . 6261 1 818 . 1 1 67 67 ASN HA H 1 4.82 0.02 . 1 . . . . . . . . 6261 1 819 . 1 1 67 67 ASN HB2 H 1 2.77 0.02 . 2 . . . . . . . . 6261 1 820 . 1 1 67 67 ASN HB3 H 1 2.85 0.02 . 2 . . . . . . . . 6261 1 821 . 1 1 67 67 ASN HD21 H 1 7.59 0.02 . 1 . . . . . . . . 6261 1 822 . 1 1 67 67 ASN HD22 H 1 6.89 0.02 . 1 . . . . . . . . 6261 1 823 . 1 1 67 67 ASN CA C 13 53.34 0.2 . 1 . . . . . . . . 6261 1 824 . 1 1 67 67 ASN CB C 13 39.01 0.2 . 1 . . . . . . . . 6261 1 825 . 1 1 67 67 ASN N N 15 120.28 0.2 . 1 . . . . . . . . 6261 1 826 . 1 1 67 67 ASN ND2 N 15 113.07 0.2 . 1 . . . . . . . . 6261 1 827 . 1 1 67 67 ASN C C 13 176.62 0.2 . 1 . . . . . . . . 6261 1 828 . 1 1 68 68 THR H H 1 7.72 0.02 . 1 . . . . . . . . 6261 1 829 . 1 1 68 68 THR HA H 1 4.13 0.02 . 1 . . . . . . . . 6261 1 830 . 1 1 68 68 THR HB H 1 4.24 0.02 . 1 . . . . . . . . 6261 1 831 . 1 1 68 68 THR HG21 H 1 1.24 0.02 . 1 . . . . . . . . 6261 1 832 . 1 1 68 68 THR HG22 H 1 1.24 0.02 . 1 . . . . . . . . 6261 1 833 . 1 1 68 68 THR HG23 H 1 1.24 0.02 . 1 . . . . . . . . 6261 1 834 . 1 1 68 68 THR CA C 13 63.19 0.2 . 1 . . . . . . . . 6261 1 835 . 1 1 68 68 THR CB C 13 70.77 0.2 . 1 . . . . . . . . 6261 1 836 . 1 1 68 68 THR N N 15 119.14 0.2 . 1 . . . . . . . . 6261 1 837 . 1 1 68 68 THR C C 13 174.38 0.2 . 1 . . . . . . . . 6261 1 stop_ save_