data_6456 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6456 _Entry.Title ; NMR STRUCTURE OF THE SH3 DOMAIN OF HUMAN LYN TYROSINE KINASE ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-01-12 _Entry.Accession_date 2005-01-12 _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 . . . 6456 2 Kristian Schweimer . . . 6456 3 Silke Hoffmann . . . 6456 4 Paul Roesch . . . 6456 5 Heinrich Sticht . . . 6456 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 6456 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 642 6456 '13C chemical shifts' 321 6456 '15N chemical shifts' 84 6456 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 2005-01-12 original author . 6456 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6456 _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 . . . 6456 1 2 Kristian Schweimer . . . 6456 1 3 Heike Meiselbach . . . 6456 1 4 Silke Hoffmann . . . 6456 1 5 Paul Roesch . . . 6456 1 6 Heinrich Sticht . . . 6456 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_LynSH3-TIP _Assembly.Sf_category assembly _Assembly.Sf_framecode LynSH3-TIP _Assembly.Entry_ID 6456 _Assembly.ID 1 _Assembly.Name 'SH3 domain of Lyn Tyrosine Kinase with a herpesviral ligand' _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 6456 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 . . . native . . . . . 6456 1 2 'TIP monomer' 2 $TIP . . . native . . . . . 6456 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 1WA7 . . . . . . 6456 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 with a herpesviral ligand' system 6456 1 LynSH3-TIP abbreviation 6456 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LynSH3 _Entity.Sf_category entity _Entity.Sf_framecode LynSH3 _Entity.Entry_ID 6456 _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 . _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 1WA7 . "Sh3 Domain Of Human Lyn Tyrosine Kinase In Complex With A Herpesviral Ligand" . . . . . 95.65 22 100.00 100.00 2.20e-05 . . . . 6456 1 2 no EMBL CAC84294 . "tyrosine kinase-interacting protein [Saimiriine herpesvirus 2]" . . . . . 100.00 256 100.00 100.00 5.71e-07 . . . . 6456 1 3 no EMBL CAC84987 . "tyrosine kinase-interacting protein [Saimiriine herpesvirus 2]" . . . . . 100.00 265 100.00 100.00 1.84e-07 . . . . 6456 1 4 no GB AAA72928 . "unnamed protein product [Saimiriine herpesvirus 1]" . . . . . 100.00 256 100.00 100.00 5.71e-07 . . . . 6456 1 5 no PIR A34770 . "ORF1 protein - saimiriine herpesvirus 1 (strain 488)" . . . . . 100.00 256 100.00 100.00 5.71e-07 . . . . 6456 1 6 no SP P22575 . "RecName: Full=Tyrosine-protein kinase-interacting protein; Short=Tip [Herpesvirus saimiri (strain 488)]" . . . . . 100.00 256 100.00 100.00 5.71e-07 . . . . 6456 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 6456 1 LynSH3 abbreviation 6456 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 . 6456 1 2 . PRO . 6456 1 3 . LEU . 6456 1 4 . GLY . 6456 1 5 . SER . 6456 1 6 . PRO . 6456 1 7 . GLU . 6456 1 8 . GLU . 6456 1 9 . GLN . 6456 1 10 . GLY . 6456 1 11 . ASP . 6456 1 12 . ILE . 6456 1 13 . VAL . 6456 1 14 . VAL . 6456 1 15 . ALA . 6456 1 16 . LEU . 6456 1 17 . TYR . 6456 1 18 . PRO . 6456 1 19 . TYR . 6456 1 20 . ASP . 6456 1 21 . GLY . 6456 1 22 . ILE . 6456 1 23 . HIS . 6456 1 24 . PRO . 6456 1 25 . ASP . 6456 1 26 . ASP . 6456 1 27 . LEU . 6456 1 28 . SER . 6456 1 29 . PHE . 6456 1 30 . LYS . 6456 1 31 . LYS . 6456 1 32 . GLY . 6456 1 33 . GLU . 6456 1 34 . LYS . 6456 1 35 . MET . 6456 1 36 . LYS . 6456 1 37 . VAL . 6456 1 38 . LEU . 6456 1 39 . GLU . 6456 1 40 . GLU . 6456 1 41 . HIS . 6456 1 42 . GLY . 6456 1 43 . GLU . 6456 1 44 . TRP . 6456 1 45 . TRP . 6456 1 46 . LYS . 6456 1 47 . ALA . 6456 1 48 . LYS . 6456 1 49 . SER . 6456 1 50 . LEU . 6456 1 51 . LEU . 6456 1 52 . THR . 6456 1 53 . LYS . 6456 1 54 . LYS . 6456 1 55 . GLU . 6456 1 56 . GLY . 6456 1 57 . PHE . 6456 1 58 . ILE . 6456 1 59 . PRO . 6456 1 60 . SER . 6456 1 61 . ASN . 6456 1 62 . TYR . 6456 1 63 . VAL . 6456 1 64 . ALA . 6456 1 65 . LYS . 6456 1 66 . LEU . 6456 1 67 . ASN . 6456 1 68 . THR . 6456 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 6456 1 . PRO 2 2 6456 1 . LEU 3 3 6456 1 . GLY 4 4 6456 1 . SER 5 5 6456 1 . PRO 6 6 6456 1 . GLU 7 7 6456 1 . GLU 8 8 6456 1 . GLN 9 9 6456 1 . GLY 10 10 6456 1 . ASP 11 11 6456 1 . ILE 12 12 6456 1 . VAL 13 13 6456 1 . VAL 14 14 6456 1 . ALA 15 15 6456 1 . LEU 16 16 6456 1 . TYR 17 17 6456 1 . PRO 18 18 6456 1 . TYR 19 19 6456 1 . ASP 20 20 6456 1 . GLY 21 21 6456 1 . ILE 22 22 6456 1 . HIS 23 23 6456 1 . PRO 24 24 6456 1 . ASP 25 25 6456 1 . ASP 26 26 6456 1 . LEU 27 27 6456 1 . SER 28 28 6456 1 . PHE 29 29 6456 1 . LYS 30 30 6456 1 . LYS 31 31 6456 1 . GLY 32 32 6456 1 . GLU 33 33 6456 1 . LYS 34 34 6456 1 . MET 35 35 6456 1 . LYS 36 36 6456 1 . VAL 37 37 6456 1 . LEU 38 38 6456 1 . GLU 39 39 6456 1 . GLU 40 40 6456 1 . HIS 41 41 6456 1 . GLY 42 42 6456 1 . GLU 43 43 6456 1 . TRP 44 44 6456 1 . TRP 45 45 6456 1 . LYS 46 46 6456 1 . ALA 47 47 6456 1 . LYS 48 48 6456 1 . SER 49 49 6456 1 . LEU 50 50 6456 1 . LEU 51 51 6456 1 . THR 52 52 6456 1 . LYS 53 53 6456 1 . LYS 54 54 6456 1 . GLU 55 55 6456 1 . GLY 56 56 6456 1 . PHE 57 57 6456 1 . ILE 58 58 6456 1 . PRO 59 59 6456 1 . SER 60 60 6456 1 . ASN 61 61 6456 1 . TYR 62 62 6456 1 . VAL 63 63 6456 1 . ALA 64 64 6456 1 . LYS 65 65 6456 1 . LEU 66 66 6456 1 . ASN 67 67 6456 1 . THR 68 68 6456 1 stop_ save_ save_TIP _Entity.Sf_category entity _Entity.Sf_framecode TIP _Entity.Entry_ID 6456 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'Tyrosine kinase interacting protein' _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 ; TWDPGMPTPPLPPRPANLGE RQA ; _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 23 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _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 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . . PIR A34770 . 'ORF1 protein - saimiriine herpesvirus 1 (strain 488)' . . . . . 100.00 256 100.00 100.00 1.18e-05 . . . . 6456 2 . . SWISS-PROT P22575 . 'Tyrosine-protein kinase-interacting protein (Tip)' . . . . . 100.00 256 100.00 100.00 1.18e-05 . . . . 6456 2 . . EMBL CAC84987 . 'tyrosine kinase-interacting protein [Saimiriine herpesvirus 2]' . . . . . 100.00 265 100.00 100.00 4.37e-06 . . . . 6456 2 . . GenBank AAA72928 . '[DHFR] gene products' . . . . . 100.00 256 100.00 100.00 1.18e-05 . . . . 6456 2 . . PDB 1WA7 . 'Sh3 Domain Of Human Lyn Tyrosine Kinase In Complex With A Herpesviral Ligand' . . . . . 95.65 22 100.00 100.00 1.37e-03 . . . . 6456 2 . . EMBL CAC84294 . 'tyrosine kinase-interacting protein [Saimiriine herpesvirus 2]' . . . . . 100.00 256 100.00 100.00 1.18e-05 . . . . 6456 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Tyrosine kinase interacting protein' common 6456 2 TIP abbreviation 6456 2 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 1 169 THR . 6456 2 2 170 TRP . 6456 2 3 171 ASP . 6456 2 4 172 PRO . 6456 2 5 173 GLY . 6456 2 6 174 MET . 6456 2 7 175 PRO . 6456 2 8 176 THR . 6456 2 9 177 PRO . 6456 2 10 178 PRO . 6456 2 11 179 LEU . 6456 2 12 180 PRO . 6456 2 13 181 PRO . 6456 2 14 182 ARG . 6456 2 15 183 PRO . 6456 2 16 184 ALA . 6456 2 17 185 ASN . 6456 2 18 186 LEU . 6456 2 19 187 GLY . 6456 2 20 188 GLU . 6456 2 21 189 ARG . 6456 2 22 190 GLN . 6456 2 23 191 ALA . 6456 2 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 . THR 1 1 6456 2 . TRP 2 2 6456 2 . ASP 3 3 6456 2 . PRO 4 4 6456 2 . GLY 5 5 6456 2 . MET 6 6 6456 2 . PRO 7 7 6456 2 . THR 8 8 6456 2 . PRO 9 9 6456 2 . PRO 10 10 6456 2 . LEU 11 11 6456 2 . PRO 12 12 6456 2 . PRO 13 13 6456 2 . ARG 14 14 6456 2 . PRO 15 15 6456 2 . ALA 16 16 6456 2 . ASN 17 17 6456 2 . LEU 18 18 6456 2 . GLY 19 19 6456 2 . GLU 20 20 6456 2 . ARG 21 21 6456 2 . GLN 22 22 6456 2 . ALA 23 23 6456 2 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 6456 _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 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . intracellular . . . . . . . . 6456 1 2 2 $TIP . 10381 . . 'Herpesvirus saimiri' 'Herpesvirus saimiri' . . viruses . Herpesvirus saimiri 488 'subgroup C' . . . . . . . . . . . . . . . . . . . 6456 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 6456 _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 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6456 1 2 2 $TIP . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6456 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6456 _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 . . 1.5 . . mM . . . . 6456 1 2 'Tyrosine kinase interacting protein' . . . 2 $TIP . . 3.4 . . mM . . . . 6456 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6456 _Sample.ID 2 _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 . . 1.5 . . mM . . . . 6456 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6456 _Sample.ID 3 _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' . . . 1 $LynSH3 . . 3.3 . . mM . . . . 6456 3 2 'Tyrosine kinase interacting protein' '[U-99% 13C; U-98% 15N]' . . 2 $TIP . . 1.5 . . mM . . . . 6456 3 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 6456 _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 6456 1 temperature 298 1 K 6456 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 6456 _Software.ID 1 _Software.Name NMRview _Software.Version 5.0.4 _Software.Details ; 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 ; 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 6456 _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 6456 _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 6456 _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 6456 _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 . . . 6456 1 2 NMR_spectrometer_2 Bruker Avance . 700 . . . 6456 1 3 NMR_spectrometer_3 Bruker Avance . 600 . . . 6456 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 6456 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6456 1 2 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6456 1 3 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6456 1 4 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6456 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6456 1 6 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6456 1 7 CCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6456 1 8 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6456 1 9 HCCHTOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6456 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 6456 _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_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 6456 _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_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 6456 _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_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 6456 _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_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 6456 _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_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 6456 _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_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 6456 _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_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 6456 _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_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 6456 _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6456 _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 . . . . . . . . . 6456 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6456 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6456 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 6456 _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 . 6456 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 4.00 0.02 . 1 . . . . . . . . 6456 1 2 . 1 1 1 1 GLY HA3 H 1 4.00 0.02 . 1 . . . . . . . . 6456 1 3 . 1 1 1 1 GLY CA C 13 43.49 0.2 . 1 . . . . . . . . 6456 1 4 . 1 1 2 2 PRO HA H 1 4.49 0.02 . 1 . . . . . . . . 6456 1 5 . 1 1 2 2 PRO HB2 H 1 2.34 0.02 . 2 . . . . . . . . 6456 1 6 . 1 1 2 2 PRO HB3 H 1 1.96 0.02 . 2 . . . . . . . . 6456 1 7 . 1 1 2 2 PRO HG2 H 1 2.03 0.02 . 1 . . . . . . . . 6456 1 8 . 1 1 2 2 PRO HG3 H 1 2.03 0.02 . 1 . . . . . . . . 6456 1 9 . 1 1 2 2 PRO HD2 H 1 3.59 0.02 . 1 . . . . . . . . 6456 1 10 . 1 1 2 2 PRO HD3 H 1 3.59 0.02 . 1 . . . . . . . . 6456 1 11 . 1 1 2 2 PRO CA C 13 63.21 0.2 . 1 . . . . . . . . 6456 1 12 . 1 1 2 2 PRO CB C 13 32.38 0.2 . 1 . . . . . . . . 6456 1 13 . 1 1 2 2 PRO CG C 13 27.09 0.2 . 1 . . . . . . . . 6456 1 14 . 1 1 2 2 PRO CD C 13 49.72 0.2 . 1 . . . . . . . . 6456 1 15 . 1 1 3 3 LEU H H 1 8.56 0.02 . 1 . . . . . . . . 6456 1 16 . 1 1 3 3 LEU HA H 1 4.36 0.02 . 1 . . . . . . . . 6456 1 17 . 1 1 3 3 LEU HB2 H 1 1.69 0.02 . 2 . . . . . . . . 6456 1 18 . 1 1 3 3 LEU HB3 H 1 1.62 0.02 . 2 . . . . . . . . 6456 1 19 . 1 1 3 3 LEU HG H 1 1.58 0.02 . 1 . . . . . . . . 6456 1 20 . 1 1 3 3 LEU HD11 H 1 0.90 0.02 . 1 . . . . . . . . 6456 1 21 . 1 1 3 3 LEU HD12 H 1 0.90 0.02 . 1 . . . . . . . . 6456 1 22 . 1 1 3 3 LEU HD13 H 1 0.90 0.02 . 1 . . . . . . . . 6456 1 23 . 1 1 3 3 LEU HD21 H 1 0.90 0.02 . 1 . . . . . . . . 6456 1 24 . 1 1 3 3 LEU HD22 H 1 0.90 0.02 . 1 . . . . . . . . 6456 1 25 . 1 1 3 3 LEU HD23 H 1 0.90 0.02 . 1 . . . . . . . . 6456 1 26 . 1 1 3 3 LEU CA C 13 55.46 0.2 . 1 . . . . . . . . 6456 1 27 . 1 1 3 3 LEU CB C 13 42.26 0.2 . 1 . . . . . . . . 6456 1 28 . 1 1 3 3 LEU CG C 13 27.14 0.2 . 1 . . . . . . . . 6456 1 29 . 1 1 3 3 LEU CD1 C 13 25.52 0.2 . 1 . . . . . . . . 6456 1 30 . 1 1 3 3 LEU CD2 C 13 25.52 0.2 . 1 . . . . . . . . 6456 1 31 . 1 1 3 3 LEU N N 15 122.28 0.2 . 1 . . . . . . . . 6456 1 32 . 1 1 4 4 GLY H H 1 8.43 0.02 . 1 . . . . . . . . 6456 1 33 . 1 1 4 4 GLY HA2 H 1 3.98 0.02 . 1 . . . . . . . . 6456 1 34 . 1 1 4 4 GLY HA3 H 1 3.98 0.02 . 1 . . . . . . . . 6456 1 35 . 1 1 4 4 GLY CA C 13 45.12 0.2 . 1 . . . . . . . . 6456 1 36 . 1 1 4 4 GLY N N 15 109.90 0.2 . 1 . . . . . . . . 6456 1 37 . 1 1 5 5 SER H H 1 8.22 0.02 . 1 . . . . . . . . 6456 1 38 . 1 1 5 5 SER HA H 1 4.80 0.02 . 1 . . . . . . . . 6456 1 39 . 1 1 5 5 SER HB2 H 1 3.90 0.02 . 1 . . . . . . . . 6456 1 40 . 1 1 5 5 SER HB3 H 1 3.90 0.02 . 1 . . . . . . . . 6456 1 41 . 1 1 5 5 SER CA C 13 56.49 0.2 . 1 . . . . . . . . 6456 1 42 . 1 1 5 5 SER CB C 13 63.47 0.2 . 1 . . . . . . . . 6456 1 43 . 1 1 5 5 SER N N 15 117.01 0.2 . 1 . . . . . . . . 6456 1 44 . 1 1 6 6 PRO HA H 1 4.42 0.02 . 1 . . . . . . . . 6456 1 45 . 1 1 6 6 PRO HB2 H 1 2.33 0.02 . 2 . . . . . . . . 6456 1 46 . 1 1 6 6 PRO HB3 H 1 1.94 0.02 . 2 . . . . . . . . 6456 1 47 . 1 1 6 6 PRO HG2 H 1 2.06 0.02 . 1 . . . . . . . . 6456 1 48 . 1 1 6 6 PRO HG3 H 1 2.06 0.02 . 1 . . . . . . . . 6456 1 49 . 1 1 6 6 PRO HD2 H 1 3.85 0.02 . 2 . . . . . . . . 6456 1 50 . 1 1 6 6 PRO HD3 H 1 3.78 0.02 . 2 . . . . . . . . 6456 1 51 . 1 1 6 6 PRO CA C 13 63.97 0.2 . 1 . . . . . . . . 6456 1 52 . 1 1 6 6 PRO CB C 13 32.04 0.2 . 1 . . . . . . . . 6456 1 53 . 1 1 6 6 PRO CG C 13 27.49 0.2 . 1 . . . . . . . . 6456 1 54 . 1 1 6 6 PRO CD C 13 50.80 0.2 . 1 . . . . . . . . 6456 1 55 . 1 1 7 7 GLU H H 1 8.56 0.02 . 1 . . . . . . . . 6456 1 56 . 1 1 7 7 GLU HA H 1 4.23 0.02 . 1 . . . . . . . . 6456 1 57 . 1 1 7 7 GLU HB2 H 1 2.04 0.02 . 2 . . . . . . . . 6456 1 58 . 1 1 7 7 GLU HB3 H 1 1.95 0.02 . 2 . . . . . . . . 6456 1 59 . 1 1 7 7 GLU HG2 H 1 2.28 0.02 . 1 . . . . . . . . 6456 1 60 . 1 1 7 7 GLU HG3 H 1 2.28 0.02 . 1 . . . . . . . . 6456 1 61 . 1 1 7 7 GLU CA C 13 57.18 0.2 . 1 . . . . . . . . 6456 1 62 . 1 1 7 7 GLU CB C 13 30.01 0.2 . 1 . . . . . . . . 6456 1 63 . 1 1 7 7 GLU CG C 13 36.44 0.2 . 1 . . . . . . . . 6456 1 64 . 1 1 7 7 GLU N N 15 119.73 0.2 . 1 . . . . . . . . 6456 1 65 . 1 1 8 8 GLU H H 1 8.24 0.02 . 1 . . . . . . . . 6456 1 66 . 1 1 8 8 GLU HA H 1 4.30 0.02 . 1 . . . . . . . . 6456 1 67 . 1 1 8 8 GLU HB2 H 1 2.09 0.02 . 2 . . . . . . . . 6456 1 68 . 1 1 8 8 GLU HB3 H 1 1.97 0.02 . 2 . . . . . . . . 6456 1 69 . 1 1 8 8 GLU HG2 H 1 2.28 0.02 . 1 . . . . . . . . 6456 1 70 . 1 1 8 8 GLU HG3 H 1 2.28 0.02 . 1 . . . . . . . . 6456 1 71 . 1 1 8 8 GLU CA C 13 56.50 0.2 . 1 . . . . . . . . 6456 1 72 . 1 1 8 8 GLU CB C 13 30.26 0.2 . 1 . . . . . . . . 6456 1 73 . 1 1 8 8 GLU CG C 13 36.44 0.2 . 1 . . . . . . . . 6456 1 74 . 1 1 8 8 GLU N N 15 121.14 0.2 . 1 . . . . . . . . 6456 1 75 . 1 1 9 9 GLN H H 1 8.26 0.02 . 1 . . . . . . . . 6456 1 76 . 1 1 9 9 GLN HA H 1 4.36 0.02 . 1 . . . . . . . . 6456 1 77 . 1 1 9 9 GLN HB2 H 1 2.17 0.02 . 2 . . . . . . . . 6456 1 78 . 1 1 9 9 GLN HB3 H 1 1.99 0.02 . 2 . . . . . . . . 6456 1 79 . 1 1 9 9 GLN HG2 H 1 2.38 0.02 . 1 . . . . . . . . 6456 1 80 . 1 1 9 9 GLN HG3 H 1 2.38 0.02 . 1 . . . . . . . . 6456 1 81 . 1 1 9 9 GLN HE21 H 1 6.82 0.02 . 1 . . . . . . . . 6456 1 82 . 1 1 9 9 GLN HE22 H 1 7.50 0.02 . 1 . . . . . . . . 6456 1 83 . 1 1 9 9 GLN CA C 13 55.96 0.2 . 1 . . . . . . . . 6456 1 84 . 1 1 9 9 GLN CB C 13 29.72 0.2 . 1 . . . . . . . . 6456 1 85 . 1 1 9 9 GLN CG C 13 33.94 0.2 . 1 . . . . . . . . 6456 1 86 . 1 1 9 9 GLN N N 15 120.60 0.2 . 1 . . . . . . . . 6456 1 87 . 1 1 9 9 GLN NE2 N 15 112.42 0.2 . 1 . . . . . . . . 6456 1 88 . 1 1 10 10 GLY H H 1 8.35 0.02 . 1 . . . . . . . . 6456 1 89 . 1 1 10 10 GLY HA2 H 1 4.03 0.02 . 2 . . . . . . . . 6456 1 90 . 1 1 10 10 GLY HA3 H 1 3.92 0.02 . 2 . . . . . . . . 6456 1 91 . 1 1 10 10 GLY CA C 13 45.42 0.2 . 1 . . . . . . . . 6456 1 92 . 1 1 10 10 GLY N N 15 108.99 0.2 . 1 . . . . . . . . 6456 1 93 . 1 1 11 11 ASP H H 1 8.46 0.02 . 1 . . . . . . . . 6456 1 94 . 1 1 11 11 ASP HA H 1 4.62 0.02 . 1 . . . . . . . . 6456 1 95 . 1 1 11 11 ASP HB2 H 1 2.69 0.02 . 2 . . . . . . . . 6456 1 96 . 1 1 11 11 ASP HB3 H 1 2.56 0.02 . 2 . . . . . . . . 6456 1 97 . 1 1 11 11 ASP CA C 13 54.05 0.2 . 1 . . . . . . . . 6456 1 98 . 1 1 11 11 ASP CB C 13 40.88 0.2 . 1 . . . . . . . . 6456 1 99 . 1 1 11 11 ASP N N 15 119.99 0.2 . 1 . . . . . . . . 6456 1 100 . 1 1 12 12 ILE H H 1 8.08 0.02 . 1 . . . . . . . . 6456 1 101 . 1 1 12 12 ILE HA H 1 5.03 0.02 . 1 . . . . . . . . 6456 1 102 . 1 1 12 12 ILE HB H 1 1.96 0.02 . 1 . . . . . . . . 6456 1 103 . 1 1 12 12 ILE HG12 H 1 1.37 0.02 . 2 . . . . . . . . 6456 1 104 . 1 1 12 12 ILE HG13 H 1 1.52 0.02 . 2 . . . . . . . . 6456 1 105 . 1 1 12 12 ILE HG21 H 1 0.91 0.02 . 1 . . . . . . . . 6456 1 106 . 1 1 12 12 ILE HG22 H 1 0.91 0.02 . 1 . . . . . . . . 6456 1 107 . 1 1 12 12 ILE HG23 H 1 0.91 0.02 . 1 . . . . . . . . 6456 1 108 . 1 1 12 12 ILE HD11 H 1 0.78 0.02 . 1 . . . . . . . . 6456 1 109 . 1 1 12 12 ILE HD12 H 1 0.78 0.02 . 1 . . . . . . . . 6456 1 110 . 1 1 12 12 ILE HD13 H 1 0.78 0.02 . 1 . . . . . . . . 6456 1 111 . 1 1 12 12 ILE CA C 13 59.02 0.2 . 1 . . . . . . . . 6456 1 112 . 1 1 12 12 ILE CB C 13 37.70 0.2 . 1 . . . . . . . . 6456 1 113 . 1 1 12 12 ILE CG1 C 13 27.44 0.2 . 1 . . . . . . . . 6456 1 114 . 1 1 12 12 ILE CG2 C 13 18.32 0.2 . 1 . . . . . . . . 6456 1 115 . 1 1 12 12 ILE CD1 C 13 11.11 0.2 . 1 . . . . . . . . 6456 1 116 . 1 1 12 12 ILE N N 15 120.68 0.2 . 1 . . . . . . . . 6456 1 117 . 1 1 13 13 VAL H H 1 9.31 0.02 . 1 . . . . . . . . 6456 1 118 . 1 1 13 13 VAL HA H 1 5.20 0.02 . 1 . . . . . . . . 6456 1 119 . 1 1 13 13 VAL HB H 1 1.91 0.02 . 1 . . . . . . . . 6456 1 120 . 1 1 13 13 VAL HG11 H 1 0.64 0.02 . 2 . . . . . . . . 6456 1 121 . 1 1 13 13 VAL HG12 H 1 0.64 0.02 . 2 . . . . . . . . 6456 1 122 . 1 1 13 13 VAL HG13 H 1 0.64 0.02 . 2 . . . . . . . . 6456 1 123 . 1 1 13 13 VAL HG21 H 1 0.86 0.02 . 2 . . . . . . . . 6456 1 124 . 1 1 13 13 VAL HG22 H 1 0.86 0.02 . 2 . . . . . . . . 6456 1 125 . 1 1 13 13 VAL HG23 H 1 0.86 0.02 . 2 . . . . . . . . 6456 1 126 . 1 1 13 13 VAL CA C 13 57.81 0.2 . 1 . . . . . . . . 6456 1 127 . 1 1 13 13 VAL CB C 13 35.50 0.2 . 1 . . . . . . . . 6456 1 128 . 1 1 13 13 VAL CG1 C 13 18.67 0.2 . 2 . . . . . . . . 6456 1 129 . 1 1 13 13 VAL CG2 C 13 21.80 0.2 . 2 . . . . . . . . 6456 1 130 . 1 1 13 13 VAL N N 15 119.01 0.2 . 1 . . . . . . . . 6456 1 131 . 1 1 14 14 VAL H H 1 9.05 0.02 . 1 . . . . . . . . 6456 1 132 . 1 1 14 14 VAL HA H 1 4.97 0.02 . 1 . . . . . . . . 6456 1 133 . 1 1 14 14 VAL HB H 1 1.75 0.02 . 1 . . . . . . . . 6456 1 134 . 1 1 14 14 VAL HG11 H 1 0.84 0.02 . 2 . . . . . . . . 6456 1 135 . 1 1 14 14 VAL HG12 H 1 0.84 0.02 . 2 . . . . . . . . 6456 1 136 . 1 1 14 14 VAL HG13 H 1 0.84 0.02 . 2 . . . . . . . . 6456 1 137 . 1 1 14 14 VAL HG21 H 1 0.86 0.02 . 2 . . . . . . . . 6456 1 138 . 1 1 14 14 VAL HG22 H 1 0.86 0.02 . 2 . . . . . . . . 6456 1 139 . 1 1 14 14 VAL HG23 H 1 0.86 0.02 . 2 . . . . . . . . 6456 1 140 . 1 1 14 14 VAL CA C 13 58.44 0.2 . 1 . . . . . . . . 6456 1 141 . 1 1 14 14 VAL CB C 13 35.47 0.2 . 1 . . . . . . . . 6456 1 142 . 1 1 14 14 VAL CG1 C 13 19.50 0.2 . 2 . . . . . . . . 6456 1 143 . 1 1 14 14 VAL CG2 C 13 21.80 0.2 . 2 . . . . . . . . 6456 1 144 . 1 1 14 14 VAL N N 15 118.19 0.2 . 1 . . . . . . . . 6456 1 145 . 1 1 15 15 ALA H H 1 8.31 0.02 . 1 . . . . . . . . 6456 1 146 . 1 1 15 15 ALA HA H 1 4.42 0.02 . 1 . . . . . . . . 6456 1 147 . 1 1 15 15 ALA HB1 H 1 1.74 0.02 . 1 . . . . . . . . 6456 1 148 . 1 1 15 15 ALA HB2 H 1 1.74 0.02 . 1 . . . . . . . . 6456 1 149 . 1 1 15 15 ALA HB3 H 1 1.74 0.02 . 1 . . . . . . . . 6456 1 150 . 1 1 15 15 ALA CA C 13 52.89 0.2 . 1 . . . . . . . . 6456 1 151 . 1 1 15 15 ALA CB C 13 21.82 0.2 . 1 . . . . . . . . 6456 1 152 . 1 1 15 15 ALA N N 15 127.14 0.2 . 1 . . . . . . . . 6456 1 153 . 1 1 16 16 LEU H H 1 9.48 0.02 . 1 . . . . . . . . 6456 1 154 . 1 1 16 16 LEU HA H 1 3.96 0.02 . 1 . . . . . . . . 6456 1 155 . 1 1 16 16 LEU HB2 H 1 1.14 0.02 . 2 . . . . . . . . 6456 1 156 . 1 1 16 16 LEU HB3 H 1 0.69 0.02 . 2 . . . . . . . . 6456 1 157 . 1 1 16 16 LEU HG H 1 1.39 0.02 . 1 . . . . . . . . 6456 1 158 . 1 1 16 16 LEU HD11 H 1 0.64 0.02 . 2 . . . . . . . . 6456 1 159 . 1 1 16 16 LEU HD12 H 1 0.64 0.02 . 2 . . . . . . . . 6456 1 160 . 1 1 16 16 LEU HD13 H 1 0.64 0.02 . 2 . . . . . . . . 6456 1 161 . 1 1 16 16 LEU HD21 H 1 0.68 0.02 . 2 . . . . . . . . 6456 1 162 . 1 1 16 16 LEU HD22 H 1 0.68 0.02 . 2 . . . . . . . . 6456 1 163 . 1 1 16 16 LEU HD23 H 1 0.68 0.02 . 2 . . . . . . . . 6456 1 164 . 1 1 16 16 LEU CA C 13 55.54 0.2 . 1 . . . . . . . . 6456 1 165 . 1 1 16 16 LEU CB C 13 43.07 0.2 . 1 . . . . . . . . 6456 1 166 . 1 1 16 16 LEU CG C 13 26.92 0.2 . 1 . . . . . . . . 6456 1 167 . 1 1 16 16 LEU CD1 C 13 21.71 0.2 . 2 . . . . . . . . 6456 1 168 . 1 1 16 16 LEU CD2 C 13 25.40 0.2 . 2 . . . . . . . . 6456 1 169 . 1 1 16 16 LEU N N 15 127.40 0.2 . 1 . . . . . . . . 6456 1 170 . 1 1 17 17 TYR H H 1 7.44 0.02 . 1 . . . . . . . . 6456 1 171 . 1 1 17 17 TYR HA H 1 4.84 0.02 . 1 . . . . . . . . 6456 1 172 . 1 1 17 17 TYR HD1 H 1 6.49 0.02 . 1 . . . . . . . . 6456 1 173 . 1 1 17 17 TYR HD2 H 1 6.49 0.02 . 1 . . . . . . . . 6456 1 174 . 1 1 17 17 TYR HE1 H 1 6.65 0.02 . 1 . . . . . . . . 6456 1 175 . 1 1 17 17 TYR HE2 H 1 6.65 0.02 . 1 . . . . . . . . 6456 1 176 . 1 1 17 17 TYR CA C 13 53.35 0.2 . 1 . . . . . . . . 6456 1 177 . 1 1 17 17 TYR CD1 C 13 134.22 0.2 . 1 . . . . . . . . 6456 1 178 . 1 1 17 17 TYR CD2 C 13 134.22 0.2 . 1 . . . . . . . . 6456 1 179 . 1 1 17 17 TYR CE1 C 13 117.98 0.2 . 1 . . . . . . . . 6456 1 180 . 1 1 17 17 TYR CE2 C 13 117.98 0.2 . 1 . . . . . . . . 6456 1 181 . 1 1 17 17 TYR N N 15 113.83 0.2 . 1 . . . . . . . . 6456 1 182 . 1 1 18 18 PRO HA H 1 4.61 0.02 . 1 . . . . . . . . 6456 1 183 . 1 1 18 18 PRO HB2 H 1 2.42 0.02 . 2 . . . . . . . . 6456 1 184 . 1 1 18 18 PRO HB3 H 1 2.09 0.02 . 2 . . . . . . . . 6456 1 185 . 1 1 18 18 PRO HG2 H 1 1.97 0.02 . 2 . . . . . . . . 6456 1 186 . 1 1 18 18 PRO HG3 H 1 1.84 0.02 . 2 . . . . . . . . 6456 1 187 . 1 1 18 18 PRO CA C 13 62.29 0.2 . 1 . . . . . . . . 6456 1 188 . 1 1 18 18 PRO CB C 13 32.49 0.2 . 1 . . . . . . . . 6456 1 189 . 1 1 18 18 PRO CG C 13 24.81 0.2 . 1 . . . . . . . . 6456 1 190 . 1 1 19 19 TYR H H 1 8.05 0.02 . 1 . . . . . . . . 6456 1 191 . 1 1 19 19 TYR HA H 1 4.52 0.02 . 1 . . . . . . . . 6456 1 192 . 1 1 19 19 TYR HB2 H 1 2.26 0.02 . 2 . . . . . . . . 6456 1 193 . 1 1 19 19 TYR HB3 H 1 0.85 0.02 . 2 . . . . . . . . 6456 1 194 . 1 1 19 19 TYR HD1 H 1 7.10 0.02 . 1 . . . . . . . . 6456 1 195 . 1 1 19 19 TYR HD2 H 1 7.10 0.02 . 1 . . . . . . . . 6456 1 196 . 1 1 19 19 TYR HE1 H 1 6.84 0.02 . 1 . . . . . . . . 6456 1 197 . 1 1 19 19 TYR HE2 H 1 6.84 0.02 . 1 . . . . . . . . 6456 1 198 . 1 1 19 19 TYR CA C 13 56.86 0.2 . 1 . . . . . . . . 6456 1 199 . 1 1 19 19 TYR CB C 13 41.96 0.2 . 1 . . . . . . . . 6456 1 200 . 1 1 19 19 TYR CD1 C 13 133.49 0.2 . 1 . . . . . . . . 6456 1 201 . 1 1 19 19 TYR CD2 C 13 133.49 0.2 . 1 . . . . . . . . 6456 1 202 . 1 1 19 19 TYR CE1 C 13 118.35 0.2 . 1 . . . . . . . . 6456 1 203 . 1 1 19 19 TYR CE2 C 13 118.35 0.2 . 1 . . . . . . . . 6456 1 204 . 1 1 19 19 TYR N N 15 118.78 0.2 . 1 . . . . . . . . 6456 1 205 . 1 1 20 20 ASP H H 1 7.79 0.02 . 1 . . . . . . . . 6456 1 206 . 1 1 20 20 ASP HA H 1 4.57 0.02 . 1 . . . . . . . . 6456 1 207 . 1 1 20 20 ASP HB2 H 1 2.44 0.02 . 2 . . . . . . . . 6456 1 208 . 1 1 20 20 ASP HB3 H 1 2.27 0.02 . 2 . . . . . . . . 6456 1 209 . 1 1 20 20 ASP CA C 13 52.92 0.2 . 1 . . . . . . . . 6456 1 210 . 1 1 20 20 ASP CB C 13 41.48 0.2 . 1 . . . . . . . . 6456 1 211 . 1 1 20 20 ASP N N 15 127.31 0.2 . 1 . . . . . . . . 6456 1 212 . 1 1 21 21 GLY H H 1 7.49 0.02 . 1 . . . . . . . . 6456 1 213 . 1 1 21 21 GLY HA2 H 1 3.60 0.02 . 2 . . . . . . . . 6456 1 214 . 1 1 21 21 GLY HA3 H 1 3.47 0.02 . 2 . . . . . . . . 6456 1 215 . 1 1 21 21 GLY CA C 13 47.04 0.2 . 1 . . . . . . . . 6456 1 216 . 1 1 21 21 GLY N N 15 107.98 0.2 . 1 . . . . . . . . 6456 1 217 . 1 1 22 22 ILE H H 1 8.01 0.02 . 1 . . . . . . . . 6456 1 218 . 1 1 22 22 ILE HA H 1 4.17 0.02 . 1 . . . . . . . . 6456 1 219 . 1 1 22 22 ILE HB H 1 1.77 0.02 . 1 . . . . . . . . 6456 1 220 . 1 1 22 22 ILE HG12 H 1 1.10 0.02 . 2 . . . . . . . . 6456 1 221 . 1 1 22 22 ILE HG13 H 1 1.18 0.02 . 2 . . . . . . . . 6456 1 222 . 1 1 22 22 ILE HG21 H 1 0.75 0.02 . 1 . . . . . . . . 6456 1 223 . 1 1 22 22 ILE HG22 H 1 0.75 0.02 . 1 . . . . . . . . 6456 1 224 . 1 1 22 22 ILE HG23 H 1 0.75 0.02 . 1 . . . . . . . . 6456 1 225 . 1 1 22 22 ILE HD11 H 1 0.88 0.02 . 1 . . . . . . . . 6456 1 226 . 1 1 22 22 ILE HD12 H 1 0.88 0.02 . 1 . . . . . . . . 6456 1 227 . 1 1 22 22 ILE HD13 H 1 0.88 0.02 . 1 . . . . . . . . 6456 1 228 . 1 1 22 22 ILE CA C 13 61.66 0.2 . 1 . . . . . . . . 6456 1 229 . 1 1 22 22 ILE CB C 13 39.95 0.2 . 1 . . . . . . . . 6456 1 230 . 1 1 22 22 ILE CG1 C 13 26.59 0.2 . 1 . . . . . . . . 6456 1 231 . 1 1 22 22 ILE CG2 C 13 17.26 0.2 . 1 . . . . . . . . 6456 1 232 . 1 1 22 22 ILE CD1 C 13 13.72 0.2 . 1 . . . . . . . . 6456 1 233 . 1 1 22 22 ILE N N 15 119.79 0.2 . 1 . . . . . . . . 6456 1 234 . 1 1 23 23 HIS H H 1 7.95 0.02 . 1 . . . . . . . . 6456 1 235 . 1 1 23 23 HIS HA H 1 4.83 0.02 . 1 . . . . . . . . 6456 1 236 . 1 1 23 23 HIS HB2 H 1 3.08 0.02 . 2 . . . . . . . . 6456 1 237 . 1 1 23 23 HIS HB3 H 1 2.89 0.02 . 2 . . . . . . . . 6456 1 238 . 1 1 23 23 HIS HD2 H 1 7.07 0.02 . 1 . . . . . . . . 6456 1 239 . 1 1 23 23 HIS HE1 H 1 8.17 0.02 . 1 . . . . . . . . 6456 1 240 . 1 1 23 23 HIS CA C 13 54.16 0.2 . 1 . . . . . . . . 6456 1 241 . 1 1 23 23 HIS CB C 13 30.58 0.2 . 1 . . . . . . . . 6456 1 242 . 1 1 23 23 HIS CD2 C 13 120.68 0.2 . 1 . . . . . . . . 6456 1 243 . 1 1 23 23 HIS CE1 C 13 138.29 0.2 . 1 . . . . . . . . 6456 1 244 . 1 1 23 23 HIS N N 15 122.41 0.2 . 1 . . . . . . . . 6456 1 245 . 1 1 24 24 PRO HA H 1 4.36 0.02 . 1 . . . . . . . . 6456 1 246 . 1 1 24 24 PRO HB2 H 1 2.38 0.02 . 2 . . . . . . . . 6456 1 247 . 1 1 24 24 PRO HB3 H 1 1.94 0.02 . 2 . . . . . . . . 6456 1 248 . 1 1 24 24 PRO HG2 H 1 1.97 0.02 . 1 . . . . . . . . 6456 1 249 . 1 1 24 24 PRO HG3 H 1 1.97 0.02 . 1 . . . . . . . . 6456 1 250 . 1 1 24 24 PRO HD2 H 1 3.74 0.02 . 2 . . . . . . . . 6456 1 251 . 1 1 24 24 PRO HD3 H 1 3.16 0.02 . 2 . . . . . . . . 6456 1 252 . 1 1 24 24 PRO CA C 13 65.17 0.2 . 1 . . . . . . . . 6456 1 253 . 1 1 24 24 PRO CB C 13 32.06 0.2 . 1 . . . . . . . . 6456 1 254 . 1 1 24 24 PRO CG C 13 27.58 0.2 . 1 . . . . . . . . 6456 1 255 . 1 1 24 24 PRO CD C 13 50.74 0.2 . 1 . . . . . . . . 6456 1 256 . 1 1 25 25 ASP H H 1 9.33 0.02 . 1 . . . . . . . . 6456 1 257 . 1 1 25 25 ASP HA H 1 4.89 0.02 . 1 . . . . . . . . 6456 1 258 . 1 1 25 25 ASP HB2 H 1 3.11 0.02 . 2 . . . . . . . . 6456 1 259 . 1 1 25 25 ASP HB3 H 1 3.00 0.02 . 2 . . . . . . . . 6456 1 260 . 1 1 25 25 ASP CA C 13 53.75 0.2 . 1 . . . . . . . . 6456 1 261 . 1 1 25 25 ASP CB C 13 39.91 0.2 . 1 . . . . . . . . 6456 1 262 . 1 1 25 25 ASP N N 15 115.71 0.2 . 1 . . . . . . . . 6456 1 263 . 1 1 26 26 ASP H H 1 7.93 0.02 . 1 . . . . . . . . 6456 1 264 . 1 1 26 26 ASP HA H 1 5.48 0.02 . 1 . . . . . . . . 6456 1 265 . 1 1 26 26 ASP HB2 H 1 3.01 0.02 . 1 . . . . . . . . 6456 1 266 . 1 1 26 26 ASP HB3 H 1 3.01 0.02 . 1 . . . . . . . . 6456 1 267 . 1 1 26 26 ASP CA C 13 55.02 0.2 . 1 . . . . . . . . 6456 1 268 . 1 1 26 26 ASP CB C 13 42.82 0.2 . 1 . . . . . . . . 6456 1 269 . 1 1 26 26 ASP N N 15 121.14 0.2 . 1 . . . . . . . . 6456 1 270 . 1 1 27 27 LEU H H 1 9.35 0.02 . 1 . . . . . . . . 6456 1 271 . 1 1 27 27 LEU HA H 1 4.62 0.02 . 1 . . . . . . . . 6456 1 272 . 1 1 27 27 LEU HB2 H 1 1.90 0.02 . 2 . . . . . . . . 6456 1 273 . 1 1 27 27 LEU HB3 H 1 0.76 0.02 . 2 . . . . . . . . 6456 1 274 . 1 1 27 27 LEU HG H 1 0.75 0.02 . 1 . . . . . . . . 6456 1 275 . 1 1 27 27 LEU HD11 H 1 0.86 0.02 . 1 . . . . . . . . 6456 1 276 . 1 1 27 27 LEU HD12 H 1 0.86 0.02 . 1 . . . . . . . . 6456 1 277 . 1 1 27 27 LEU HD13 H 1 0.86 0.02 . 1 . . . . . . . . 6456 1 278 . 1 1 27 27 LEU HD21 H 1 0.86 0.02 . 1 . . . . . . . . 6456 1 279 . 1 1 27 27 LEU HD22 H 1 0.86 0.02 . 1 . . . . . . . . 6456 1 280 . 1 1 27 27 LEU HD23 H 1 0.86 0.02 . 1 . . . . . . . . 6456 1 281 . 1 1 27 27 LEU CA C 13 54.05 0.2 . 1 . . . . . . . . 6456 1 282 . 1 1 27 27 LEU CB C 13 43.96 0.2 . 1 . . . . . . . . 6456 1 283 . 1 1 27 27 LEU CG C 13 26.38 0.2 . 1 . . . . . . . . 6456 1 284 . 1 1 27 27 LEU CD1 C 13 24.81 0.2 . 1 . . . . . . . . 6456 1 285 . 1 1 27 27 LEU CD2 C 13 24.81 0.2 . 1 . . . . . . . . 6456 1 286 . 1 1 27 27 LEU N N 15 127.20 0.2 . 1 . . . . . . . . 6456 1 287 . 1 1 28 28 SER H H 1 7.71 0.02 . 1 . . . . . . . . 6456 1 288 . 1 1 28 28 SER HA H 1 4.74 0.02 . 1 . . . . . . . . 6456 1 289 . 1 1 28 28 SER HB2 H 1 4.01 0.02 . 2 . . . . . . . . 6456 1 290 . 1 1 28 28 SER HB3 H 1 3.82 0.02 . 2 . . . . . . . . 6456 1 291 . 1 1 28 28 SER CA C 13 57.99 0.2 . 1 . . . . . . . . 6456 1 292 . 1 1 28 28 SER CB C 13 64.63 0.2 . 1 . . . . . . . . 6456 1 293 . 1 1 28 28 SER N N 15 117.69 0.2 . 1 . . . . . . . . 6456 1 294 . 1 1 29 29 PHE H H 1 8.58 0.02 . 1 . . . . . . . . 6456 1 295 . 1 1 29 29 PHE HA H 1 5.19 0.02 . 1 . . . . . . . . 6456 1 296 . 1 1 29 29 PHE HB2 H 1 3.23 0.02 . 2 . . . . . . . . 6456 1 297 . 1 1 29 29 PHE HB3 H 1 2.93 0.02 . 2 . . . . . . . . 6456 1 298 . 1 1 29 29 PHE HD1 H 1 7.07 0.02 . 1 . . . . . . . . 6456 1 299 . 1 1 29 29 PHE HD2 H 1 7.07 0.02 . 1 . . . . . . . . 6456 1 300 . 1 1 29 29 PHE HE1 H 1 7.62 0.02 . 1 . . . . . . . . 6456 1 301 . 1 1 29 29 PHE HE2 H 1 7.62 0.02 . 1 . . . . . . . . 6456 1 302 . 1 1 29 29 PHE HZ H 1 6.83 0.02 . 1 . . . . . . . . 6456 1 303 . 1 1 29 29 PHE CA C 13 55.78 0.2 . 1 . . . . . . . . 6456 1 304 . 1 1 29 29 PHE CB C 13 40.38 0.2 . 1 . . . . . . . . 6456 1 305 . 1 1 29 29 PHE CD1 C 13 134.48 0.2 . 1 . . . . . . . . 6456 1 306 . 1 1 29 29 PHE CD2 C 13 134.48 0.2 . 1 . . . . . . . . 6456 1 307 . 1 1 29 29 PHE CE1 C 13 131.55 0.2 . 1 . . . . . . . . 6456 1 308 . 1 1 29 29 PHE CE2 C 13 131.55 0.2 . 1 . . . . . . . . 6456 1 309 . 1 1 29 29 PHE CZ C 13 128.43 0.2 . 1 . . . . . . . . 6456 1 310 . 1 1 29 29 PHE N N 15 115.78 0.2 . 1 . . . . . . . . 6456 1 311 . 1 1 30 30 LYS H H 1 9.04 0.02 . 1 . . . . . . . . 6456 1 312 . 1 1 30 30 LYS HA H 1 4.71 0.02 . 1 . . . . . . . . 6456 1 313 . 1 1 30 30 LYS HB2 H 1 2.03 0.02 . 2 . . . . . . . . 6456 1 314 . 1 1 30 30 LYS HB3 H 1 1.91 0.02 . 2 . . . . . . . . 6456 1 315 . 1 1 30 30 LYS HG2 H 1 1.60 0.02 . 2 . . . . . . . . 6456 1 316 . 1 1 30 30 LYS HG3 H 1 1.54 0.02 . 2 . . . . . . . . 6456 1 317 . 1 1 30 30 LYS HD2 H 1 1.66 0.02 . 1 . . . . . . . . 6456 1 318 . 1 1 30 30 LYS HD3 H 1 1.66 0.02 . 1 . . . . . . . . 6456 1 319 . 1 1 30 30 LYS HE2 H 1 3.03 0.02 . 1 . . . . . . . . 6456 1 320 . 1 1 30 30 LYS HE3 H 1 3.03 0.02 . 1 . . . . . . . . 6456 1 321 . 1 1 30 30 LYS CA C 13 53.90 0.2 . 1 . . . . . . . . 6456 1 322 . 1 1 30 30 LYS CB C 13 34.79 0.2 . 1 . . . . . . . . 6456 1 323 . 1 1 30 30 LYS CG C 13 24.77 0.2 . 1 . . . . . . . . 6456 1 324 . 1 1 30 30 LYS CD C 13 29.01 0.2 . 1 . . . . . . . . 6456 1 325 . 1 1 30 30 LYS CE C 13 42.15 0.2 . 1 . . . . . . . . 6456 1 326 . 1 1 30 30 LYS N N 15 120.71 0.2 . 1 . . . . . . . . 6456 1 327 . 1 1 31 31 LYS H H 1 8.47 0.02 . 1 . . . . . . . . 6456 1 328 . 1 1 31 31 LYS HA H 1 3.46 0.02 . 1 . . . . . . . . 6456 1 329 . 1 1 31 31 LYS HB2 H 1 1.78 0.02 . 2 . . . . . . . . 6456 1 330 . 1 1 31 31 LYS HB3 H 1 1.36 0.02 . 2 . . . . . . . . 6456 1 331 . 1 1 31 31 LYS HG2 H 1 1.24 0.02 . 2 . . . . . . . . 6456 1 332 . 1 1 31 31 LYS HG3 H 1 1.09 0.02 . 2 . . . . . . . . 6456 1 333 . 1 1 31 31 LYS HD2 H 1 1.64 0.02 . 1 . . . . . . . . 6456 1 334 . 1 1 31 31 LYS HD3 H 1 1.64 0.02 . 1 . . . . . . . . 6456 1 335 . 1 1 31 31 LYS HE2 H 1 3.02 0.02 . 1 . . . . . . . . 6456 1 336 . 1 1 31 31 LYS HE3 H 1 3.02 0.02 . 1 . . . . . . . . 6456 1 337 . 1 1 31 31 LYS CA C 13 59.30 0.2 . 1 . . . . . . . . 6456 1 338 . 1 1 31 31 LYS CB C 13 32.52 0.2 . 1 . . . . . . . . 6456 1 339 . 1 1 31 31 LYS CG C 13 25.33 0.2 . 1 . . . . . . . . 6456 1 340 . 1 1 31 31 LYS CD C 13 29.76 0.2 . 1 . . . . . . . . 6456 1 341 . 1 1 31 31 LYS CE C 13 42.46 0.2 . 1 . . . . . . . . 6456 1 342 . 1 1 31 31 LYS N N 15 119.77 0.2 . 1 . . . . . . . . 6456 1 343 . 1 1 32 32 GLY H H 1 8.85 0.02 . 1 . . . . . . . . 6456 1 344 . 1 1 32 32 GLY HA2 H 1 4.34 0.02 . 2 . . . . . . . . 6456 1 345 . 1 1 32 32 GLY HA3 H 1 3.49 0.02 . 2 . . . . . . . . 6456 1 346 . 1 1 32 32 GLY CA C 13 45.20 0.2 . 1 . . . . . . . . 6456 1 347 . 1 1 32 32 GLY N N 15 115.31 0.2 . 1 . . . . . . . . 6456 1 348 . 1 1 33 33 GLU H H 1 7.93 0.02 . 1 . . . . . . . . 6456 1 349 . 1 1 33 33 GLU HA H 1 4.12 0.02 . 1 . . . . . . . . 6456 1 350 . 1 1 33 33 GLU HB2 H 1 2.44 0.02 . 2 . . . . . . . . 6456 1 351 . 1 1 33 33 GLU HB3 H 1 2.20 0.02 . 2 . . . . . . . . 6456 1 352 . 1 1 33 33 GLU HG2 H 1 2.43 0.02 . 1 . . . . . . . . 6456 1 353 . 1 1 33 33 GLU HG3 H 1 2.43 0.02 . 1 . . . . . . . . 6456 1 354 . 1 1 33 33 GLU CA C 13 58.00 0.2 . 1 . . . . . . . . 6456 1 355 . 1 1 33 33 GLU CB C 13 31.86 0.2 . 1 . . . . . . . . 6456 1 356 . 1 1 33 33 GLU CG C 13 36.10 0.2 . 1 . . . . . . . . 6456 1 357 . 1 1 33 33 GLU N N 15 124.33 0.2 . 1 . . . . . . . . 6456 1 358 . 1 1 34 34 LYS H H 1 8.55 0.02 . 1 . . . . . . . . 6456 1 359 . 1 1 34 34 LYS HA H 1 5.36 0.02 . 1 . . . . . . . . 6456 1 360 . 1 1 34 34 LYS HB2 H 1 1.83 0.02 . 2 . . . . . . . . 6456 1 361 . 1 1 34 34 LYS HB3 H 1 1.62 0.02 . 2 . . . . . . . . 6456 1 362 . 1 1 34 34 LYS HG2 H 1 1.68 0.02 . 2 . . . . . . . . 6456 1 363 . 1 1 34 34 LYS HG3 H 1 1.32 0.02 . 2 . . . . . . . . 6456 1 364 . 1 1 34 34 LYS HD2 H 1 1.68 0.02 . 1 . . . . . . . . 6456 1 365 . 1 1 34 34 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . 6456 1 366 . 1 1 34 34 LYS HE2 H 1 2.92 0.02 . 1 . . . . . . . . 6456 1 367 . 1 1 34 34 LYS HE3 H 1 2.92 0.02 . 1 . . . . . . . . 6456 1 368 . 1 1 34 34 LYS CA C 13 55.43 0.2 . 1 . . . . . . . . 6456 1 369 . 1 1 34 34 LYS CB C 13 34.78 0.2 . 1 . . . . . . . . 6456 1 370 . 1 1 34 34 LYS CG C 13 26.18 0.2 . 1 . . . . . . . . 6456 1 371 . 1 1 34 34 LYS CD C 13 29.55 0.2 . 1 . . . . . . . . 6456 1 372 . 1 1 34 34 LYS CE C 13 42.15 0.2 . 1 . . . . . . . . 6456 1 373 . 1 1 34 34 LYS N N 15 124.36 0.2 . 1 . . . . . . . . 6456 1 374 . 1 1 35 35 MET H H 1 9.06 0.02 . 1 . . . . . . . . 6456 1 375 . 1 1 35 35 MET HA H 1 5.12 0.02 . 1 . . . . . . . . 6456 1 376 . 1 1 35 35 MET HB2 H 1 1.65 0.02 . 2 . . . . . . . . 6456 1 377 . 1 1 35 35 MET HB3 H 1 1.45 0.02 . 2 . . . . . . . . 6456 1 378 . 1 1 35 35 MET HG2 H 1 2.29 0.02 . 2 . . . . . . . . 6456 1 379 . 1 1 35 35 MET HG3 H 1 2.08 0.02 . 2 . . . . . . . . 6456 1 380 . 1 1 35 35 MET HE1 H 1 0.87 0.02 . 1 . . . . . . . . 6456 1 381 . 1 1 35 35 MET HE2 H 1 0.87 0.02 . 1 . . . . . . . . 6456 1 382 . 1 1 35 35 MET HE3 H 1 0.87 0.02 . 1 . . . . . . . . 6456 1 383 . 1 1 35 35 MET CA C 13 54.17 0.2 . 1 . . . . . . . . 6456 1 384 . 1 1 35 35 MET CB C 13 39.58 0.2 . 1 . . . . . . . . 6456 1 385 . 1 1 35 35 MET CG C 13 32.76 0.2 . 1 . . . . . . . . 6456 1 386 . 1 1 35 35 MET CE C 13 17.27 0.2 . 1 . . . . . . . . 6456 1 387 . 1 1 35 35 MET N N 15 119.91 0.2 . 1 . . . . . . . . 6456 1 388 . 1 1 36 36 LYS H H 1 9.18 0.02 . 1 . . . . . . . . 6456 1 389 . 1 1 36 36 LYS HA H 1 4.96 0.02 . 1 . . . . . . . . 6456 1 390 . 1 1 36 36 LYS HB2 H 1 1.70 0.02 . 2 . . . . . . . . 6456 1 391 . 1 1 36 36 LYS HB3 H 1 1.57 0.02 . 2 . . . . . . . . 6456 1 392 . 1 1 36 36 LYS HG2 H 1 1.32 0.02 . 2 . . . . . . . . 6456 1 393 . 1 1 36 36 LYS HG3 H 1 1.18 0.02 . 2 . . . . . . . . 6456 1 394 . 1 1 36 36 LYS HD2 H 1 1.57 0.02 . 1 . . . . . . . . 6456 1 395 . 1 1 36 36 LYS HD3 H 1 1.57 0.02 . 1 . . . . . . . . 6456 1 396 . 1 1 36 36 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 6456 1 397 . 1 1 36 36 LYS HE3 H 1 2.88 0.02 . 1 . . . . . . . . 6456 1 398 . 1 1 36 36 LYS CA C 13 54.46 0.2 . 1 . . . . . . . . 6456 1 399 . 1 1 36 36 LYS CB C 13 35.58 0.2 . 1 . . . . . . . . 6456 1 400 . 1 1 36 36 LYS CG C 13 24.98 0.2 . 1 . . . . . . . . 6456 1 401 . 1 1 36 36 LYS CD C 13 29.77 0.2 . 1 . . . . . . . . 6456 1 402 . 1 1 36 36 LYS CE C 13 41.96 0.2 . 1 . . . . . . . . 6456 1 403 . 1 1 36 36 LYS N N 15 122.29 0.2 . 1 . . . . . . . . 6456 1 404 . 1 1 37 37 VAL H H 1 9.10 0.02 . 1 . . . . . . . . 6456 1 405 . 1 1 37 37 VAL HA H 1 3.79 0.02 . 1 . . . . . . . . 6456 1 406 . 1 1 37 37 VAL HB H 1 1.94 0.02 . 1 . . . . . . . . 6456 1 407 . 1 1 37 37 VAL HG11 H 1 0.54 0.02 . 2 . . . . . . . . 6456 1 408 . 1 1 37 37 VAL HG12 H 1 0.54 0.02 . 2 . . . . . . . . 6456 1 409 . 1 1 37 37 VAL HG13 H 1 0.54 0.02 . 2 . . . . . . . . 6456 1 410 . 1 1 37 37 VAL HG21 H 1 0.88 0.02 . 2 . . . . . . . . 6456 1 411 . 1 1 37 37 VAL HG22 H 1 0.88 0.02 . 2 . . . . . . . . 6456 1 412 . 1 1 37 37 VAL HG23 H 1 0.88 0.02 . 2 . . . . . . . . 6456 1 413 . 1 1 37 37 VAL CA C 13 64.69 0.2 . 1 . . . . . . . . 6456 1 414 . 1 1 37 37 VAL CB C 13 31.79 0.2 . 1 . . . . . . . . 6456 1 415 . 1 1 37 37 VAL CG1 C 13 21.62 0.2 . 2 . . . . . . . . 6456 1 416 . 1 1 37 37 VAL CG2 C 13 23.80 0.2 . 2 . . . . . . . . 6456 1 417 . 1 1 37 37 VAL N N 15 127.05 0.2 . 1 . . . . . . . . 6456 1 418 . 1 1 38 38 LEU H H 1 9.36 0.02 . 1 . . . . . . . . 6456 1 419 . 1 1 38 38 LEU HA H 1 4.41 0.02 . 1 . . . . . . . . 6456 1 420 . 1 1 38 38 LEU HB2 H 1 1.65 0.02 . 2 . . . . . . . . 6456 1 421 . 1 1 38 38 LEU HB3 H 1 1.36 0.02 . 2 . . . . . . . . 6456 1 422 . 1 1 38 38 LEU HG H 1 1.67 0.02 . 1 . . . . . . . . 6456 1 423 . 1 1 38 38 LEU HD11 H 1 0.75 0.02 . 1 . . . . . . . . 6456 1 424 . 1 1 38 38 LEU HD12 H 1 0.75 0.02 . 1 . . . . . . . . 6456 1 425 . 1 1 38 38 LEU HD13 H 1 0.75 0.02 . 1 . . . . . . . . 6456 1 426 . 1 1 38 38 LEU HD21 H 1 0.75 0.02 . 1 . . . . . . . . 6456 1 427 . 1 1 38 38 LEU HD22 H 1 0.75 0.02 . 1 . . . . . . . . 6456 1 428 . 1 1 38 38 LEU HD23 H 1 0.75 0.02 . 1 . . . . . . . . 6456 1 429 . 1 1 38 38 LEU CA C 13 55.85 0.2 . 1 . . . . . . . . 6456 1 430 . 1 1 38 38 LEU CB C 13 43.19 0.2 . 1 . . . . . . . . 6456 1 431 . 1 1 38 38 LEU CG C 13 27.08 0.2 . 1 . . . . . . . . 6456 1 432 . 1 1 38 38 LEU CD1 C 13 25.62 0.2 . 2 . . . . . . . . 6456 1 433 . 1 1 38 38 LEU CD2 C 13 22.17 0.2 . 2 . . . . . . . . 6456 1 434 . 1 1 38 38 LEU N N 15 128.30 0.2 . 1 . . . . . . . . 6456 1 435 . 1 1 39 39 GLU H H 1 7.72 0.02 . 1 . . . . . . . . 6456 1 436 . 1 1 39 39 GLU HA H 1 4.50 0.02 . 1 . . . . . . . . 6456 1 437 . 1 1 39 39 GLU HB2 H 1 2.41 0.02 . 2 . . . . . . . . 6456 1 438 . 1 1 39 39 GLU HB3 H 1 2.16 0.02 . 2 . . . . . . . . 6456 1 439 . 1 1 39 39 GLU HG2 H 1 2.31 0.02 . 2 . . . . . . . . 6456 1 440 . 1 1 39 39 GLU HG3 H 1 2.10 0.02 . 2 . . . . . . . . 6456 1 441 . 1 1 39 39 GLU CA C 13 55.26 0.2 . 1 . . . . . . . . 6456 1 442 . 1 1 39 39 GLU CB C 13 34.74 0.2 . 1 . . . . . . . . 6456 1 443 . 1 1 39 39 GLU CG C 13 35.92 0.2 . 1 . . . . . . . . 6456 1 444 . 1 1 39 39 GLU N N 15 114.39 0.2 . 1 . . . . . . . . 6456 1 445 . 1 1 40 40 GLU H H 1 8.85 0.02 . 1 . . . . . . . . 6456 1 446 . 1 1 40 40 GLU HA H 1 4.43 0.02 . 1 . . . . . . . . 6456 1 447 . 1 1 40 40 GLU HB2 H 1 1.79 0.02 . 2 . . . . . . . . 6456 1 448 . 1 1 40 40 GLU HB3 H 1 1.62 0.02 . 2 . . . . . . . . 6456 1 449 . 1 1 40 40 GLU HG2 H 1 1.38 0.02 . 2 . . . . . . . . 6456 1 450 . 1 1 40 40 GLU HG3 H 1 0.74 0.02 . 2 . . . . . . . . 6456 1 451 . 1 1 40 40 GLU CA C 13 55.81 0.2 . 1 . . . . . . . . 6456 1 452 . 1 1 40 40 GLU CB C 13 30.94 0.2 . 1 . . . . . . . . 6456 1 453 . 1 1 40 40 GLU CG C 13 34.61 0.2 . 1 . . . . . . . . 6456 1 454 . 1 1 40 40 GLU N N 15 123.86 0.2 . 1 . . . . . . . . 6456 1 455 . 1 1 41 41 HIS H H 1 8.43 0.02 . 1 . . . . . . . . 6456 1 456 . 1 1 41 41 HIS HA H 1 4.96 0.02 . 1 . . . . . . . . 6456 1 457 . 1 1 41 41 HIS HB2 H 1 3.30 0.02 . 1 . . . . . . . . 6456 1 458 . 1 1 41 41 HIS HB3 H 1 3.30 0.02 . 1 . . . . . . . . 6456 1 459 . 1 1 41 41 HIS HD2 H 1 6.93 0.02 . 1 . . . . . . . . 6456 1 460 . 1 1 41 41 HIS HE1 H 1 7.85 0.02 . 1 . . . . . . . . 6456 1 461 . 1 1 41 41 HIS CA C 13 54.46 0.2 . 1 . . . . . . . . 6456 1 462 . 1 1 41 41 HIS CB C 13 30.21 0.2 . 1 . . . . . . . . 6456 1 463 . 1 1 41 41 HIS CD2 C 13 117.93 0.2 . 1 . . . . . . . . 6456 1 464 . 1 1 41 41 HIS CE1 C 13 137.59 0.2 . 1 . . . . . . . . 6456 1 465 . 1 1 41 41 HIS N N 15 124.52 0.2 . 1 . . . . . . . . 6456 1 466 . 1 1 42 42 GLY H H 1 8.54 0.02 . 1 . . . . . . . . 6456 1 467 . 1 1 42 42 GLY HA2 H 1 4.35 0.02 . 2 . . . . . . . . 6456 1 468 . 1 1 42 42 GLY HA3 H 1 3.81 0.02 . 2 . . . . . . . . 6456 1 469 . 1 1 42 42 GLY CA C 13 46.52 0.2 . 1 . . . . . . . . 6456 1 470 . 1 1 42 42 GLY N N 15 111.57 0.2 . 1 . . . . . . . . 6456 1 471 . 1 1 43 43 GLU H H 1 9.13 0.02 . 1 . . . . . . . . 6456 1 472 . 1 1 43 43 GLU HA H 1 4.23 0.02 . 1 . . . . . . . . 6456 1 473 . 1 1 43 43 GLU HB2 H 1 2.05 0.02 . 2 . . . . . . . . 6456 1 474 . 1 1 43 43 GLU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 6456 1 475 . 1 1 43 43 GLU HG2 H 1 2.39 0.02 . 2 . . . . . . . . 6456 1 476 . 1 1 43 43 GLU HG3 H 1 2.22 0.02 . 2 . . . . . . . . 6456 1 477 . 1 1 43 43 GLU CA C 13 57.18 0.2 . 1 . . . . . . . . 6456 1 478 . 1 1 43 43 GLU CB C 13 30.76 0.2 . 1 . . . . . . . . 6456 1 479 . 1 1 43 43 GLU CG C 13 37.75 0.2 . 1 . . . . . . . . 6456 1 480 . 1 1 43 43 GLU N N 15 123.31 0.2 . 1 . . . . . . . . 6456 1 481 . 1 1 44 44 TRP H H 1 8.04 0.02 . 1 . . . . . . . . 6456 1 482 . 1 1 44 44 TRP HA H 1 5.01 0.02 . 1 . . . . . . . . 6456 1 483 . 1 1 44 44 TRP HB2 H 1 3.03 0.02 . 1 . . . . . . . . 6456 1 484 . 1 1 44 44 TRP HB3 H 1 3.03 0.02 . 1 . . . . . . . . 6456 1 485 . 1 1 44 44 TRP HD1 H 1 7.25 0.02 . 1 . . . . . . . . 6456 1 486 . 1 1 44 44 TRP HE1 H 1 9.31 0.02 . 1 . . . . . . . . 6456 1 487 . 1 1 44 44 TRP HE3 H 1 7.29 0.02 . 1 . . . . . . . . 6456 1 488 . 1 1 44 44 TRP HZ2 H 1 7.46 0.02 . 1 . . . . . . . . 6456 1 489 . 1 1 44 44 TRP HZ3 H 1 6.89 0.02 . 1 . . . . . . . . 6456 1 490 . 1 1 44 44 TRP HH2 H 1 7.45 0.02 . 1 . . . . . . . . 6456 1 491 . 1 1 44 44 TRP CA C 13 56.77 0.2 . 1 . . . . . . . . 6456 1 492 . 1 1 44 44 TRP CB C 13 30.82 0.2 . 1 . . . . . . . . 6456 1 493 . 1 1 44 44 TRP CD1 C 13 125.67 0.2 . 1 . . . . . . . . 6456 1 494 . 1 1 44 44 TRP CE3 C 13 120.93 0.2 . 1 . . . . . . . . 6456 1 495 . 1 1 44 44 TRP CZ2 C 13 113.69 0.2 . 1 . . . . . . . . 6456 1 496 . 1 1 44 44 TRP CZ3 C 13 122.00 0.2 . 1 . . . . . . . . 6456 1 497 . 1 1 44 44 TRP CH2 C 13 124.65 0.2 . 1 . . . . . . . . 6456 1 498 . 1 1 44 44 TRP N N 15 120.75 0.2 . 1 . . . . . . . . 6456 1 499 . 1 1 44 44 TRP NE1 N 15 129.97 0.2 . 1 . . . . . . . . 6456 1 500 . 1 1 45 45 TRP H H 1 9.26 0.02 . 1 . . . . . . . . 6456 1 501 . 1 1 45 45 TRP HA H 1 5.75 0.02 . 1 . . . . . . . . 6456 1 502 . 1 1 45 45 TRP HB2 H 1 3.31 0.02 . 2 . . . . . . . . 6456 1 503 . 1 1 45 45 TRP HB3 H 1 2.99 0.02 . 2 . . . . . . . . 6456 1 504 . 1 1 45 45 TRP HD1 H 1 7.07 0.02 . 1 . . . . . . . . 6456 1 505 . 1 1 45 45 TRP HE1 H 1 9.91 0.02 . 1 . . . . . . . . 6456 1 506 . 1 1 45 45 TRP HE3 H 1 7.14 0.02 . 1 . . . . . . . . 6456 1 507 . 1 1 45 45 TRP HZ2 H 1 7.53 0.02 . 1 . . . . . . . . 6456 1 508 . 1 1 45 45 TRP HZ3 H 1 6.79 0.02 . 1 . . . . . . . . 6456 1 509 . 1 1 45 45 TRP HH2 H 1 7.18 0.02 . 1 . . . . . . . . 6456 1 510 . 1 1 45 45 TRP CA C 13 52.73 0.2 . 1 . . . . . . . . 6456 1 511 . 1 1 45 45 TRP CB C 13 31.98 0.2 . 1 . . . . . . . . 6456 1 512 . 1 1 45 45 TRP CD1 C 13 123.38 0.2 . 1 . . . . . . . . 6456 1 513 . 1 1 45 45 TRP CE3 C 13 119.59 0.2 . 1 . . . . . . . . 6456 1 514 . 1 1 45 45 TRP CZ2 C 13 115.32 0.2 . 1 . . . . . . . . 6456 1 515 . 1 1 45 45 TRP CZ3 C 13 121.19 0.2 . 1 . . . . . . . . 6456 1 516 . 1 1 45 45 TRP CH2 C 13 124.74 0.2 . 1 . . . . . . . . 6456 1 517 . 1 1 45 45 TRP N N 15 123.63 0.2 . 1 . . . . . . . . 6456 1 518 . 1 1 45 45 TRP NE1 N 15 128.64 0.2 . 1 . . . . . . . . 6456 1 519 . 1 1 46 46 LYS H H 1 9.49 0.02 . 1 . . . . . . . . 6456 1 520 . 1 1 46 46 LYS HA H 1 4.59 0.02 . 1 . . . . . . . . 6456 1 521 . 1 1 46 46 LYS HB2 H 1 1.75 0.02 . 2 . . . . . . . . 6456 1 522 . 1 1 46 46 LYS HB3 H 1 1.52 0.02 . 2 . . . . . . . . 6456 1 523 . 1 1 46 46 LYS HG2 H 1 1.12 0.02 . 2 . . . . . . . . 6456 1 524 . 1 1 46 46 LYS HG3 H 1 0.65 0.02 . 2 . . . . . . . . 6456 1 525 . 1 1 46 46 LYS HD2 H 1 1.38 0.02 . 1 . . . . . . . . 6456 1 526 . 1 1 46 46 LYS HD3 H 1 1.38 0.02 . 1 . . . . . . . . 6456 1 527 . 1 1 46 46 LYS HE2 H 1 2.60 0.02 . 2 . . . . . . . . 6456 1 528 . 1 1 46 46 LYS HE3 H 1 2.57 0.02 . 2 . . . . . . . . 6456 1 529 . 1 1 46 46 LYS CA C 13 56.11 0.2 . 1 . . . . . . . . 6456 1 530 . 1 1 46 46 LYS CB C 13 34.37 0.2 . 1 . . . . . . . . 6456 1 531 . 1 1 46 46 LYS CG C 13 25.82 0.2 . 1 . . . . . . . . 6456 1 532 . 1 1 46 46 LYS CD C 13 28.91 0.2 . 1 . . . . . . . . 6456 1 533 . 1 1 46 46 LYS CE C 13 41.88 0.2 . 1 . . . . . . . . 6456 1 534 . 1 1 46 46 LYS N N 15 124.03 0.2 . 1 . . . . . . . . 6456 1 535 . 1 1 47 47 ALA H H 1 9.54 0.02 . 1 . . . . . . . . 6456 1 536 . 1 1 47 47 ALA HA H 1 5.43 0.02 . 1 . . . . . . . . 6456 1 537 . 1 1 47 47 ALA HB1 H 1 1.25 0.02 . 1 . . . . . . . . 6456 1 538 . 1 1 47 47 ALA HB2 H 1 1.25 0.02 . 1 . . . . . . . . 6456 1 539 . 1 1 47 47 ALA HB3 H 1 1.25 0.02 . 1 . . . . . . . . 6456 1 540 . 1 1 47 47 ALA CA C 13 50.74 0.2 . 1 . . . . . . . . 6456 1 541 . 1 1 47 47 ALA CB C 13 25.03 0.2 . 1 . . . . . . . . 6456 1 542 . 1 1 47 47 ALA N N 15 131.79 0.2 . 1 . . . . . . . . 6456 1 543 . 1 1 48 48 LYS H H 1 8.85 0.02 . 1 . . . . . . . . 6456 1 544 . 1 1 48 48 LYS HA H 1 5.30 0.02 . 1 . . . . . . . . 6456 1 545 . 1 1 48 48 LYS HB2 H 1 1.71 0.02 . 2 . . . . . . . . 6456 1 546 . 1 1 48 48 LYS HB3 H 1 1.58 0.02 . 2 . . . . . . . . 6456 1 547 . 1 1 48 48 LYS HG2 H 1 1.22 0.02 . 2 . . . . . . . . 6456 1 548 . 1 1 48 48 LYS HG3 H 1 1.10 0.02 . 2 . . . . . . . . 6456 1 549 . 1 1 48 48 LYS HD2 H 1 1.65 0.02 . 1 . . . . . . . . 6456 1 550 . 1 1 48 48 LYS HD3 H 1 1.65 0.02 . 1 . . . . . . . . 6456 1 551 . 1 1 48 48 LYS HE2 H 1 2.92 0.02 . 1 . . . . . . . . 6456 1 552 . 1 1 48 48 LYS HE3 H 1 2.92 0.02 . 1 . . . . . . . . 6456 1 553 . 1 1 48 48 LYS CA C 13 53.62 0.2 . 1 . . . . . . . . 6456 1 554 . 1 1 48 48 LYS CB C 13 37.62 0.2 . 1 . . . . . . . . 6456 1 555 . 1 1 48 48 LYS CG C 13 24.38 0.2 . 1 . . . . . . . . 6456 1 556 . 1 1 48 48 LYS CD C 13 30.20 0.2 . 1 . . . . . . . . 6456 1 557 . 1 1 48 48 LYS CE C 13 42.15 0.2 . 1 . . . . . . . . 6456 1 558 . 1 1 48 48 LYS N N 15 118.34 0.2 . 1 . . . . . . . . 6456 1 559 . 1 1 49 49 SER H H 1 9.00 0.02 . 1 . . . . . . . . 6456 1 560 . 1 1 49 49 SER HA H 1 4.63 0.02 . 1 . . . . . . . . 6456 1 561 . 1 1 49 49 SER HB2 H 1 4.20 0.02 . 1 . . . . . . . . 6456 1 562 . 1 1 49 49 SER HB3 H 1 4.20 0.02 . 1 . . . . . . . . 6456 1 563 . 1 1 49 49 SER CA C 13 58.57 0.2 . 1 . . . . . . . . 6456 1 564 . 1 1 49 49 SER CB C 13 63.04 0.2 . 1 . . . . . . . . 6456 1 565 . 1 1 49 49 SER N N 15 119.57 0.2 . 1 . . . . . . . . 6456 1 566 . 1 1 50 50 LEU H H 1 9.27 0.02 . 1 . . . . . . . . 6456 1 567 . 1 1 50 50 LEU HA H 1 4.28 0.02 . 1 . . . . . . . . 6456 1 568 . 1 1 50 50 LEU HB2 H 1 1.74 0.02 . 2 . . . . . . . . 6456 1 569 . 1 1 50 50 LEU HB3 H 1 1.64 0.02 . 2 . . . . . . . . 6456 1 570 . 1 1 50 50 LEU HG H 1 1.64 0.02 . 1 . . . . . . . . 6456 1 571 . 1 1 50 50 LEU HD11 H 1 0.88 0.02 . 2 . . . . . . . . 6456 1 572 . 1 1 50 50 LEU HD12 H 1 0.88 0.02 . 2 . . . . . . . . 6456 1 573 . 1 1 50 50 LEU HD13 H 1 0.88 0.02 . 2 . . . . . . . . 6456 1 574 . 1 1 50 50 LEU HD21 H 1 1.02 0.02 . 2 . . . . . . . . 6456 1 575 . 1 1 50 50 LEU HD22 H 1 1.02 0.02 . 2 . . . . . . . . 6456 1 576 . 1 1 50 50 LEU HD23 H 1 1.02 0.02 . 2 . . . . . . . . 6456 1 577 . 1 1 50 50 LEU CA C 13 57.01 0.2 . 1 . . . . . . . . 6456 1 578 . 1 1 50 50 LEU CB C 13 40.50 0.2 . 1 . . . . . . . . 6456 1 579 . 1 1 50 50 LEU CG C 13 28.58 0.2 . 1 . . . . . . . . 6456 1 580 . 1 1 50 50 LEU CD1 C 13 23.02 0.2 . 2 . . . . . . . . 6456 1 581 . 1 1 50 50 LEU CD2 C 13 23.25 0.2 . 2 . . . . . . . . 6456 1 582 . 1 1 50 50 LEU N N 15 130.51 0.2 . 1 . . . . . . . . 6456 1 583 . 1 1 51 51 LEU H H 1 8.56 0.02 . 1 . . . . . . . . 6456 1 584 . 1 1 51 51 LEU HA H 1 4.58 0.02 . 1 . . . . . . . . 6456 1 585 . 1 1 51 51 LEU HB2 H 1 1.88 0.02 . 1 . . . . . . . . 6456 1 586 . 1 1 51 51 LEU HB3 H 1 1.88 0.02 . 1 . . . . . . . . 6456 1 587 . 1 1 51 51 LEU HG H 1 1.58 0.02 . 1 . . . . . . . . 6456 1 588 . 1 1 51 51 LEU HD11 H 1 0.88 0.02 . 2 . . . . . . . . 6456 1 589 . 1 1 51 51 LEU HD12 H 1 0.88 0.02 . 2 . . . . . . . . 6456 1 590 . 1 1 51 51 LEU HD13 H 1 0.88 0.02 . 2 . . . . . . . . 6456 1 591 . 1 1 51 51 LEU HD21 H 1 0.95 0.02 . 2 . . . . . . . . 6456 1 592 . 1 1 51 51 LEU HD22 H 1 0.95 0.02 . 2 . . . . . . . . 6456 1 593 . 1 1 51 51 LEU HD23 H 1 0.95 0.02 . 2 . . . . . . . . 6456 1 594 . 1 1 51 51 LEU CA C 13 57.00 0.2 . 1 . . . . . . . . 6456 1 595 . 1 1 51 51 LEU CB C 13 43.48 0.2 . 1 . . . . . . . . 6456 1 596 . 1 1 51 51 LEU CG C 13 27.14 0.2 . 1 . . . . . . . . 6456 1 597 . 1 1 51 51 LEU CD1 C 13 23.49 0.2 . 2 . . . . . . . . 6456 1 598 . 1 1 51 51 LEU CD2 C 13 24.93 0.2 . 2 . . . . . . . . 6456 1 599 . 1 1 51 51 LEU N N 15 121.11 0.2 . 1 . . . . . . . . 6456 1 600 . 1 1 52 52 THR H H 1 8.47 0.02 . 1 . . . . . . . . 6456 1 601 . 1 1 52 52 THR HA H 1 4.38 0.02 . 1 . . . . . . . . 6456 1 602 . 1 1 52 52 THR HB H 1 4.51 0.02 . 1 . . . . . . . . 6456 1 603 . 1 1 52 52 THR HG21 H 1 1.35 0.02 . 1 . . . . . . . . 6456 1 604 . 1 1 52 52 THR HG22 H 1 1.35 0.02 . 1 . . . . . . . . 6456 1 605 . 1 1 52 52 THR HG23 H 1 1.35 0.02 . 1 . . . . . . . . 6456 1 606 . 1 1 52 52 THR CA C 13 61.87 0.2 . 1 . . . . . . . . 6456 1 607 . 1 1 52 52 THR CB C 13 71.35 0.2 . 1 . . . . . . . . 6456 1 608 . 1 1 52 52 THR N N 15 106.46 0.2 . 1 . . . . . . . . 6456 1 609 . 1 1 53 53 LYS H H 1 7.60 0.02 . 1 . . . . . . . . 6456 1 610 . 1 1 53 53 LYS HA H 1 4.21 0.02 . 1 . . . . . . . . 6456 1 611 . 1 1 53 53 LYS HB2 H 1 2.36 0.02 . 2 . . . . . . . . 6456 1 612 . 1 1 53 53 LYS HB3 H 1 2.04 0.02 . 2 . . . . . . . . 6456 1 613 . 1 1 53 53 LYS HG2 H 1 1.43 0.02 . 1 . . . . . . . . 6456 1 614 . 1 1 53 53 LYS HG3 H 1 1.43 0.02 . 1 . . . . . . . . 6456 1 615 . 1 1 53 53 LYS HD2 H 1 1.75 0.02 . 1 . . . . . . . . 6456 1 616 . 1 1 53 53 LYS HD3 H 1 1.75 0.02 . 1 . . . . . . . . 6456 1 617 . 1 1 53 53 LYS HE2 H 1 3.02 0.02 . 1 . . . . . . . . 6456 1 618 . 1 1 53 53 LYS HE3 H 1 3.02 0.02 . 1 . . . . . . . . 6456 1 619 . 1 1 53 53 LYS CA C 13 58.46 0.2 . 1 . . . . . . . . 6456 1 620 . 1 1 53 53 LYS CB C 13 29.50 0.2 . 1 . . . . . . . . 6456 1 621 . 1 1 53 53 LYS CG C 13 25.62 0.2 . 1 . . . . . . . . 6456 1 622 . 1 1 53 53 LYS CD C 13 29.98 0.2 . 1 . . . . . . . . 6456 1 623 . 1 1 53 53 LYS CE C 13 42.46 0.2 . 1 . . . . . . . . 6456 1 624 . 1 1 53 53 LYS N N 15 113.93 0.2 . 1 . . . . . . . . 6456 1 625 . 1 1 54 54 LYS H H 1 7.70 0.02 . 1 . . . . . . . . 6456 1 626 . 1 1 54 54 LYS HA H 1 4.37 0.02 . 1 . . . . . . . . 6456 1 627 . 1 1 54 54 LYS HB2 H 1 1.92 0.02 . 2 . . . . . . . . 6456 1 628 . 1 1 54 54 LYS HB3 H 1 1.73 0.02 . 2 . . . . . . . . 6456 1 629 . 1 1 54 54 LYS HG2 H 1 1.54 0.02 . 1 . . . . . . . . 6456 1 630 . 1 1 54 54 LYS HG3 H 1 1.54 0.02 . 1 . . . . . . . . 6456 1 631 . 1 1 54 54 LYS HD2 H 1 1.80 0.02 . 1 . . . . . . . . 6456 1 632 . 1 1 54 54 LYS HD3 H 1 1.80 0.02 . 1 . . . . . . . . 6456 1 633 . 1 1 54 54 LYS HE2 H 1 3.11 0.02 . 1 . . . . . . . . 6456 1 634 . 1 1 54 54 LYS HE3 H 1 3.11 0.02 . 1 . . . . . . . . 6456 1 635 . 1 1 54 54 LYS CA C 13 56.92 0.2 . 1 . . . . . . . . 6456 1 636 . 1 1 54 54 LYS CB C 13 33.63 0.2 . 1 . . . . . . . . 6456 1 637 . 1 1 54 54 LYS CG C 13 25.97 0.2 . 1 . . . . . . . . 6456 1 638 . 1 1 54 54 LYS CD C 13 29.15 0.2 . 1 . . . . . . . . 6456 1 639 . 1 1 54 54 LYS CE C 13 42.38 0.2 . 1 . . . . . . . . 6456 1 640 . 1 1 54 54 LYS N N 15 120.47 0.2 . 1 . . . . . . . . 6456 1 641 . 1 1 55 55 GLU H H 1 8.50 0.02 . 1 . . . . . . . . 6456 1 642 . 1 1 55 55 GLU HA H 1 5.77 0.02 . 1 . . . . . . . . 6456 1 643 . 1 1 55 55 GLU HB2 H 1 1.86 0.02 . 2 . . . . . . . . 6456 1 644 . 1 1 55 55 GLU HB3 H 1 1.82 0.02 . 2 . . . . . . . . 6456 1 645 . 1 1 55 55 GLU HG2 H 1 2.23 0.02 . 2 . . . . . . . . 6456 1 646 . 1 1 55 55 GLU HG3 H 1 2.05 0.02 . 2 . . . . . . . . 6456 1 647 . 1 1 55 55 GLU CA C 13 53.71 0.2 . 1 . . . . . . . . 6456 1 648 . 1 1 55 55 GLU CB C 13 34.21 0.2 . 1 . . . . . . . . 6456 1 649 . 1 1 55 55 GLU CG C 13 36.22 0.2 . 1 . . . . . . . . 6456 1 650 . 1 1 55 55 GLU N N 15 117.68 0.2 . 1 . . . . . . . . 6456 1 651 . 1 1 56 56 GLY H H 1 8.79 0.02 . 1 . . . . . . . . 6456 1 652 . 1 1 56 56 GLY HA2 H 1 4.18 0.02 . 2 . . . . . . . . 6456 1 653 . 1 1 56 56 GLY HA3 H 1 4.03 0.02 . 2 . . . . . . . . 6456 1 654 . 1 1 56 56 GLY CA C 13 45.43 0.2 . 1 . . . . . . . . 6456 1 655 . 1 1 56 56 GLY N N 15 107.17 0.2 . 1 . . . . . . . . 6456 1 656 . 1 1 57 57 PHE H H 1 9.09 0.02 . 1 . . . . . . . . 6456 1 657 . 1 1 57 57 PHE HA H 1 5.67 0.02 . 1 . . . . . . . . 6456 1 658 . 1 1 57 57 PHE HB2 H 1 3.27 0.02 . 1 . . . . . . . . 6456 1 659 . 1 1 57 57 PHE HB3 H 1 3.27 0.02 . 1 . . . . . . . . 6456 1 660 . 1 1 57 57 PHE HD1 H 1 7.19 0.02 . 1 . . . . . . . . 6456 1 661 . 1 1 57 57 PHE HD2 H 1 7.19 0.02 . 1 . . . . . . . . 6456 1 662 . 1 1 57 57 PHE HE1 H 1 7.11 0.02 . 1 . . . . . . . . 6456 1 663 . 1 1 57 57 PHE HE2 H 1 7.11 0.02 . 1 . . . . . . . . 6456 1 664 . 1 1 57 57 PHE HZ H 1 7.11 0.02 . 1 . . . . . . . . 6456 1 665 . 1 1 57 57 PHE CA C 13 59.42 0.2 . 1 . . . . . . . . 6456 1 666 . 1 1 57 57 PHE CB C 13 41.19 0.2 . 1 . . . . . . . . 6456 1 667 . 1 1 57 57 PHE CD1 C 13 131.47 0.2 . 1 . . . . . . . . 6456 1 668 . 1 1 57 57 PHE CD2 C 13 131.47 0.2 . 1 . . . . . . . . 6456 1 669 . 1 1 57 57 PHE CE1 C 13 129.83 0.2 . 1 . . . . . . . . 6456 1 670 . 1 1 57 57 PHE CE2 C 13 129.83 0.2 . 1 . . . . . . . . 6456 1 671 . 1 1 57 57 PHE CZ C 13 129.83 0.2 . 1 . . . . . . . . 6456 1 672 . 1 1 57 57 PHE N N 15 119.53 0.2 . 1 . . . . . . . . 6456 1 673 . 1 1 58 58 ILE H H 1 9.81 0.02 . 1 . . . . . . . . 6456 1 674 . 1 1 58 58 ILE HA H 1 5.25 0.02 . 1 . . . . . . . . 6456 1 675 . 1 1 58 58 ILE HB H 1 1.63 0.02 . 1 . . . . . . . . 6456 1 676 . 1 1 58 58 ILE HG12 H 1 1.44 0.02 . 2 . . . . . . . . 6456 1 677 . 1 1 58 58 ILE HG13 H 1 1.12 0.02 . 2 . . . . . . . . 6456 1 678 . 1 1 58 58 ILE HG21 H 1 1.34 0.02 . 1 . . . . . . . . 6456 1 679 . 1 1 58 58 ILE HG22 H 1 1.34 0.02 . 1 . . . . . . . . 6456 1 680 . 1 1 58 58 ILE HG23 H 1 1.34 0.02 . 1 . . . . . . . . 6456 1 681 . 1 1 58 58 ILE HD11 H 1 0.59 0.02 . 1 . . . . . . . . 6456 1 682 . 1 1 58 58 ILE HD12 H 1 0.59 0.02 . 1 . . . . . . . . 6456 1 683 . 1 1 58 58 ILE HD13 H 1 0.59 0.02 . 1 . . . . . . . . 6456 1 684 . 1 1 58 58 ILE CA C 13 57.29 0.2 . 1 . . . . . . . . 6456 1 685 . 1 1 58 58 ILE CB C 13 40.85 0.2 . 1 . . . . . . . . 6456 1 686 . 1 1 58 58 ILE CG1 C 13 24.90 0.2 . 1 . . . . . . . . 6456 1 687 . 1 1 58 58 ILE CG2 C 13 21.72 0.2 . 1 . . . . . . . . 6456 1 688 . 1 1 58 58 ILE CD1 C 13 14.90 0.2 . 1 . . . . . . . . 6456 1 689 . 1 1 58 58 ILE N N 15 112.14 0.2 . 1 . . . . . . . . 6456 1 690 . 1 1 59 59 PRO HA H 1 3.09 0.02 . 1 . . . . . . . . 6456 1 691 . 1 1 59 59 PRO HB2 H 1 0.15 0.02 . 2 . . . . . . . . 6456 1 692 . 1 1 59 59 PRO HB3 H 1 1.50 0.02 . 2 . . . . . . . . 6456 1 693 . 1 1 59 59 PRO HG2 H 1 1.00 0.02 . 2 . . . . . . . . 6456 1 694 . 1 1 59 59 PRO HG3 H 1 0.06 0.02 . 2 . . . . . . . . 6456 1 695 . 1 1 59 59 PRO HD2 H 1 3.00 0.02 . 2 . . . . . . . . 6456 1 696 . 1 1 59 59 PRO HD3 H 1 2.75 0.02 . 2 . . . . . . . . 6456 1 697 . 1 1 59 59 PRO CA C 13 60.51 0.2 . 1 . . . . . . . . 6456 1 698 . 1 1 59 59 PRO CB C 13 29.55 0.2 . 1 . . . . . . . . 6456 1 699 . 1 1 59 59 PRO CG C 13 25.80 0.2 . 1 . . . . . . . . 6456 1 700 . 1 1 59 59 PRO CD C 13 49.22 0.2 . 1 . . . . . . . . 6456 1 701 . 1 1 60 60 SER H H 1 7.70 0.02 . 1 . . . . . . . . 6456 1 702 . 1 1 60 60 SER HA H 1 2.66 0.02 . 1 . . . . . . . . 6456 1 703 . 1 1 60 60 SER HB2 H 1 2.06 0.02 . 2 . . . . . . . . 6456 1 704 . 1 1 60 60 SER HB3 H 1 1.49 0.02 . 2 . . . . . . . . 6456 1 705 . 1 1 60 60 SER CA C 13 61.24 0.2 . 1 . . . . . . . . 6456 1 706 . 1 1 60 60 SER CB C 13 61.31 0.2 . 1 . . . . . . . . 6456 1 707 . 1 1 60 60 SER N N 15 119.96 0.2 . 1 . . . . . . . . 6456 1 708 . 1 1 61 61 ASN H H 1 8.31 0.02 . 1 . . . . . . . . 6456 1 709 . 1 1 61 61 ASN HA H 1 4.62 0.02 . 1 . . . . . . . . 6456 1 710 . 1 1 61 61 ASN HB2 H 1 3.00 0.02 . 2 . . . . . . . . 6456 1 711 . 1 1 61 61 ASN HB3 H 1 2.75 0.02 . 2 . . . . . . . . 6456 1 712 . 1 1 61 61 ASN HD21 H 1 7.30 0.02 . 1 . . . . . . . . 6456 1 713 . 1 1 61 61 ASN HD22 H 1 6.84 0.02 . 1 . . . . . . . . 6456 1 714 . 1 1 61 61 ASN CA C 13 53.68 0.2 . 1 . . . . . . . . 6456 1 715 . 1 1 61 61 ASN CB C 13 35.19 0.2 . 1 . . . . . . . . 6456 1 716 . 1 1 61 61 ASN N N 15 115.50 0.2 . 1 . . . . . . . . 6456 1 717 . 1 1 61 61 ASN ND2 N 15 108.83 0.2 . 1 . . . . . . . . 6456 1 718 . 1 1 62 62 TYR H H 1 7.87 0.02 . 1 . . . . . . . . 6456 1 719 . 1 1 62 62 TYR HA H 1 4.76 0.02 . 1 . . . . . . . . 6456 1 720 . 1 1 62 62 TYR HB2 H 1 3.61 0.02 . 2 . . . . . . . . 6456 1 721 . 1 1 62 62 TYR HB3 H 1 3.35 0.02 . 2 . . . . . . . . 6456 1 722 . 1 1 62 62 TYR HD1 H 1 7.03 0.02 . 1 . . . . . . . . 6456 1 723 . 1 1 62 62 TYR HD2 H 1 7.03 0.02 . 1 . . . . . . . . 6456 1 724 . 1 1 62 62 TYR HE1 H 1 6.71 0.02 . 1 . . . . . . . . 6456 1 725 . 1 1 62 62 TYR HE2 H 1 6.71 0.02 . 1 . . . . . . . . 6456 1 726 . 1 1 62 62 TYR CA C 13 58.40 0.2 . 1 . . . . . . . . 6456 1 727 . 1 1 62 62 TYR CB C 13 38.86 0.2 . 1 . . . . . . . . 6456 1 728 . 1 1 62 62 TYR CD1 C 13 131.93 0.2 . 1 . . . . . . . . 6456 1 729 . 1 1 62 62 TYR CD2 C 13 131.93 0.2 . 1 . . . . . . . . 6456 1 730 . 1 1 62 62 TYR CE1 C 13 118.63 0.2 . 1 . . . . . . . . 6456 1 731 . 1 1 62 62 TYR CE2 C 13 118.63 0.2 . 1 . . . . . . . . 6456 1 732 . 1 1 62 62 TYR N N 15 120.18 0.2 . 1 . . . . . . . . 6456 1 733 . 1 1 63 63 VAL H H 1 7.20 0.02 . 1 . . . . . . . . 6456 1 734 . 1 1 63 63 VAL HA H 1 5.30 0.02 . 1 . . . . . . . . 6456 1 735 . 1 1 63 63 VAL HB H 1 1.76 0.02 . 1 . . . . . . . . 6456 1 736 . 1 1 63 63 VAL HG11 H 1 0.38 0.02 . 2 . . . . . . . . 6456 1 737 . 1 1 63 63 VAL HG12 H 1 0.38 0.02 . 2 . . . . . . . . 6456 1 738 . 1 1 63 63 VAL HG13 H 1 0.38 0.02 . 2 . . . . . . . . 6456 1 739 . 1 1 63 63 VAL HG21 H 1 0.64 0.02 . 2 . . . . . . . . 6456 1 740 . 1 1 63 63 VAL HG22 H 1 0.64 0.02 . 2 . . . . . . . . 6456 1 741 . 1 1 63 63 VAL HG23 H 1 0.64 0.02 . 2 . . . . . . . . 6456 1 742 . 1 1 63 63 VAL CA C 13 58.22 0.2 . 1 . . . . . . . . 6456 1 743 . 1 1 63 63 VAL CB C 13 35.86 0.2 . 1 . . . . . . . . 6456 1 744 . 1 1 63 63 VAL CG1 C 13 21.44 0.2 . 2 . . . . . . . . 6456 1 745 . 1 1 63 63 VAL CG2 C 13 18.10 0.2 . 2 . . . . . . . . 6456 1 746 . 1 1 63 63 VAL N N 15 108.96 0.2 . 1 . . . . . . . . 6456 1 747 . 1 1 64 64 ALA H H 1 8.60 0.02 . 1 . . . . . . . . 6456 1 748 . 1 1 64 64 ALA HA H 1 4.83 0.02 . 1 . . . . . . . . 6456 1 749 . 1 1 64 64 ALA HB1 H 1 1.36 0.02 . 1 . . . . . . . . 6456 1 750 . 1 1 64 64 ALA HB2 H 1 1.36 0.02 . 1 . . . . . . . . 6456 1 751 . 1 1 64 64 ALA HB3 H 1 1.36 0.02 . 1 . . . . . . . . 6456 1 752 . 1 1 64 64 ALA CA C 13 50.40 0.2 . 1 . . . . . . . . 6456 1 753 . 1 1 64 64 ALA CB C 13 22.95 0.2 . 1 . . . . . . . . 6456 1 754 . 1 1 64 64 ALA N N 15 120.69 0.2 . 1 . . . . . . . . 6456 1 755 . 1 1 65 65 LYS H H 1 8.78 0.02 . 1 . . . . . . . . 6456 1 756 . 1 1 65 65 LYS HA H 1 4.42 0.02 . 1 . . . . . . . . 6456 1 757 . 1 1 65 65 LYS HB2 H 1 1.91 0.02 . 2 . . . . . . . . 6456 1 758 . 1 1 65 65 LYS HB3 H 1 1.80 0.02 . 2 . . . . . . . . 6456 1 759 . 1 1 65 65 LYS HG2 H 1 1.66 0.02 . 2 . . . . . . . . 6456 1 760 . 1 1 65 65 LYS HG3 H 1 1.42 0.02 . 2 . . . . . . . . 6456 1 761 . 1 1 65 65 LYS HD2 H 1 1.73 0.02 . 1 . . . . . . . . 6456 1 762 . 1 1 65 65 LYS HD3 H 1 1.73 0.02 . 1 . . . . . . . . 6456 1 763 . 1 1 65 65 LYS HE2 H 1 2.92 0.02 . 2 . . . . . . . . 6456 1 764 . 1 1 65 65 LYS HE3 H 1 2.84 0.02 . 2 . . . . . . . . 6456 1 765 . 1 1 65 65 LYS CA C 13 57.43 0.2 . 1 . . . . . . . . 6456 1 766 . 1 1 65 65 LYS CB C 13 32.90 0.2 . 1 . . . . . . . . 6456 1 767 . 1 1 65 65 LYS CG C 13 25.93 0.2 . 1 . . . . . . . . 6456 1 768 . 1 1 65 65 LYS CD C 13 29.39 0.2 . 1 . . . . . . . . 6456 1 769 . 1 1 65 65 LYS CE C 13 42.19 0.2 . 1 . . . . . . . . 6456 1 770 . 1 1 65 65 LYS N N 15 120.98 0.2 . 1 . . . . . . . . 6456 1 771 . 1 1 66 66 LEU H H 1 8.33 0.02 . 1 . . . . . . . . 6456 1 772 . 1 1 66 66 LEU HA H 1 4.36 0.02 . 1 . . . . . . . . 6456 1 773 . 1 1 66 66 LEU HB2 H 1 1.62 0.02 . 2 . . . . . . . . 6456 1 774 . 1 1 66 66 LEU HB3 H 1 1.45 0.02 . 2 . . . . . . . . 6456 1 775 . 1 1 66 66 LEU HG H 1 1.58 0.02 . 1 . . . . . . . . 6456 1 776 . 1 1 66 66 LEU HD11 H 1 0.84 0.02 . 1 . . . . . . . . 6456 1 777 . 1 1 66 66 LEU HD12 H 1 0.84 0.02 . 1 . . . . . . . . 6456 1 778 . 1 1 66 66 LEU HD13 H 1 0.84 0.02 . 1 . . . . . . . . 6456 1 779 . 1 1 66 66 LEU HD21 H 1 0.84 0.02 . 1 . . . . . . . . 6456 1 780 . 1 1 66 66 LEU HD22 H 1 0.84 0.02 . 1 . . . . . . . . 6456 1 781 . 1 1 66 66 LEU HD23 H 1 0.84 0.02 . 1 . . . . . . . . 6456 1 782 . 1 1 66 66 LEU CA C 13 55.46 0.2 . 1 . . . . . . . . 6456 1 783 . 1 1 66 66 LEU CB C 13 42.90 0.2 . 1 . . . . . . . . 6456 1 784 . 1 1 66 66 LEU CG C 13 27.14 0.2 . 1 . . . . . . . . 6456 1 785 . 1 1 66 66 LEU CD1 C 13 24.35 0.2 . 2 . . . . . . . . 6456 1 786 . 1 1 66 66 LEU N N 15 124.34 0.2 . 1 . . . . . . . . 6456 1 787 . 1 1 67 67 ASN H H 1 8.63 0.02 . 1 . . . . . . . . 6456 1 788 . 1 1 67 67 ASN HA H 1 4.84 0.02 . 1 . . . . . . . . 6456 1 789 . 1 1 67 67 ASN HB2 H 1 2.86 0.02 . 2 . . . . . . . . 6456 1 790 . 1 1 67 67 ASN HB3 H 1 2.80 0.02 . 2 . . . . . . . . 6456 1 791 . 1 1 67 67 ASN HD21 H 1 6.92 0.02 . 1 . . . . . . . . 6456 1 792 . 1 1 67 67 ASN HD22 H 1 7.61 0.02 . 1 . . . . . . . . 6456 1 793 . 1 1 67 67 ASN CA C 13 53.35 0.2 . 1 . . . . . . . . 6456 1 794 . 1 1 67 67 ASN CB C 13 39.04 0.2 . 1 . . . . . . . . 6456 1 795 . 1 1 67 67 ASN N N 15 120.35 0.2 . 1 . . . . . . . . 6456 1 796 . 1 1 67 67 ASN ND2 N 15 113.04 0.2 . 1 . . . . . . . . 6456 1 797 . 1 1 68 68 THR H H 1 7.77 0.02 . 1 . . . . . . . . 6456 1 798 . 1 1 68 68 THR HA H 1 4.16 0.02 . 1 . . . . . . . . 6456 1 799 . 1 1 68 68 THR HB H 1 4.26 0.02 . 1 . . . . . . . . 6456 1 800 . 1 1 68 68 THR HG21 H 1 1.17 0.02 . 1 . . . . . . . . 6456 1 801 . 1 1 68 68 THR HG22 H 1 1.17 0.02 . 1 . . . . . . . . 6456 1 802 . 1 1 68 68 THR HG23 H 1 1.17 0.02 . 1 . . . . . . . . 6456 1 803 . 1 1 68 68 THR CA C 13 63.19 0.2 . 1 . . . . . . . . 6456 1 804 . 1 1 68 68 THR CB C 13 70.78 0.2 . 1 . . . . . . . . 6456 1 805 . 1 1 68 68 THR N N 15 119.17 0.2 . 1 . . . . . . . . 6456 1 stop_ save_ save_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 6456 _Assigned_chem_shift_list.ID 2 _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 . . 3 $sample_3 . 6456 2 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 . 2 2 1 1 THR HA H 1 4.32 0.02 . 1 . . . . . . . . 6456 2 2 . 2 2 1 1 THR HB H 1 4.15 0.02 . 1 . . . . . . . . 6456 2 3 . 2 2 1 1 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 6456 2 4 . 2 2 1 1 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 6456 2 5 . 2 2 1 1 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 6456 2 6 . 2 2 1 1 THR CA C 13 62.45 0.2 . 1 . . . . . . . . 6456 2 7 . 2 2 1 1 THR CB C 13 69.85 0.2 . 1 . . . . . . . . 6456 2 8 . 2 2 1 1 THR CG2 C 13 21.74 0.2 . 1 . . . . . . . . 6456 2 9 . 2 2 2 2 TRP H H 1 8.32 0.02 . 1 . . . . . . . . 6456 2 10 . 2 2 2 2 TRP HA H 1 4.66 0.02 . 1 . . . . . . . . 6456 2 11 . 2 2 2 2 TRP HB2 H 1 3.26 0.02 . 1 . . . . . . . . 6456 2 12 . 2 2 2 2 TRP HB3 H 1 3.26 0.02 . 1 . . . . . . . . 6456 2 13 . 2 2 2 2 TRP CA C 13 58.04 0.2 . 1 . . . . . . . . 6456 2 14 . 2 2 2 2 TRP CB C 13 30.49 0.2 . 1 . . . . . . . . 6456 2 15 . 2 2 2 2 TRP N N 15 124.35 0.2 . 1 . . . . . . . . 6456 2 16 . 2 2 3 3 ASP H H 1 7.61 0.02 . 1 . . . . . . . . 6456 2 17 . 2 2 3 3 ASP HA H 1 4.80 0.02 . 1 . . . . . . . . 6456 2 18 . 2 2 3 3 ASP HB2 H 1 2.32 0.02 . 2 . . . . . . . . 6456 2 19 . 2 2 3 3 ASP HB3 H 1 2.51 0.02 . 2 . . . . . . . . 6456 2 20 . 2 2 3 3 ASP CA C 13 51.88 0.2 . 1 . . . . . . . . 6456 2 21 . 2 2 3 3 ASP CB C 13 42.44 0.2 . 1 . . . . . . . . 6456 2 22 . 2 2 3 3 ASP N N 15 126.64 0.2 . 1 . . . . . . . . 6456 2 23 . 2 2 4 4 PRO HA H 1 4.09 0.02 . 1 . . . . . . . . 6456 2 24 . 2 2 4 4 PRO HB2 H 1 1.89 0.02 . 2 . . . . . . . . 6456 2 25 . 2 2 4 4 PRO HB3 H 1 2.26 0.02 . 2 . . . . . . . . 6456 2 26 . 2 2 4 4 PRO HG2 H 1 1.99 0.02 . 1 . . . . . . . . 6456 2 27 . 2 2 4 4 PRO HG3 H 1 1.99 0.02 . 1 . . . . . . . . 6456 2 28 . 2 2 4 4 PRO HD2 H 1 3.54 0.02 . 2 . . . . . . . . 6456 2 29 . 2 2 4 4 PRO HD3 H 1 3.59 0.02 . 2 . . . . . . . . 6456 2 30 . 2 2 4 4 PRO CA C 13 63.79 0.2 . 1 . . . . . . . . 6456 2 31 . 2 2 4 4 PRO CB C 13 31.86 0.2 . 1 . . . . . . . . 6456 2 32 . 2 2 4 4 PRO CG C 13 27.20 0.2 . 1 . . . . . . . . 6456 2 33 . 2 2 4 4 PRO CD C 13 50.47 0.2 . 1 . . . . . . . . 6456 2 34 . 2 2 5 5 GLY H H 1 8.51 0.02 . 1 . . . . . . . . 6456 2 35 . 2 2 5 5 GLY HA2 H 1 3.88 0.02 . 2 . . . . . . . . 6456 2 36 . 2 2 5 5 GLY HA3 H 1 3.95 0.02 . 2 . . . . . . . . 6456 2 37 . 2 2 5 5 GLY CA C 13 45.26 0.2 . 1 . . . . . . . . 6456 2 38 . 2 2 5 5 GLY N N 15 109.46 0.2 . 1 . . . . . . . . 6456 2 39 . 2 2 6 6 MET H H 1 7.90 0.02 . 1 . . . . . . . . 6456 2 40 . 2 2 6 6 MET HA H 1 4.74 0.02 . 1 . . . . . . . . 6456 2 41 . 2 2 6 6 MET HB2 H 1 1.90 0.02 . 2 . . . . . . . . 6456 2 42 . 2 2 6 6 MET HB3 H 1 2.14 0.02 . 2 . . . . . . . . 6456 2 43 . 2 2 6 6 MET HG2 H 1 2.55 0.02 . 1 . . . . . . . . 6456 2 44 . 2 2 6 6 MET HG3 H 1 2.55 0.02 . 1 . . . . . . . . 6456 2 45 . 2 2 6 6 MET HE1 H 1 2.10 0.02 . 1 . . . . . . . . 6456 2 46 . 2 2 6 6 MET HE2 H 1 2.10 0.02 . 1 . . . . . . . . 6456 2 47 . 2 2 6 6 MET HE3 H 1 2.10 0.02 . 1 . . . . . . . . 6456 2 48 . 2 2 6 6 MET CA C 13 53.79 0.2 . 1 . . . . . . . . 6456 2 49 . 2 2 6 6 MET CB C 13 32.47 0.2 . 1 . . . . . . . . 6456 2 50 . 2 2 6 6 MET CG C 13 32.26 0.2 . 1 . . . . . . . . 6456 2 51 . 2 2 6 6 MET CE C 13 17.04 0.2 . 1 . . . . . . . . 6456 2 52 . 2 2 6 6 MET N N 15 121.11 0.2 . 1 . . . . . . . . 6456 2 53 . 2 2 7 7 PRO HA H 1 4.60 0.02 . 1 . . . . . . . . 6456 2 54 . 2 2 7 7 PRO HB2 H 1 1.93 0.02 . 2 . . . . . . . . 6456 2 55 . 2 2 7 7 PRO HB3 H 1 2.36 0.02 . 2 . . . . . . . . 6456 2 56 . 2 2 7 7 PRO HG2 H 1 2.03 0.02 . 1 . . . . . . . . 6456 2 57 . 2 2 7 7 PRO HG3 H 1 2.03 0.02 . 1 . . . . . . . . 6456 2 58 . 2 2 7 7 PRO HD2 H 1 3.70 0.02 . 2 . . . . . . . . 6456 2 59 . 2 2 7 7 PRO HD3 H 1 3.86 0.02 . 2 . . . . . . . . 6456 2 60 . 2 2 7 7 PRO CA C 13 63.18 0.2 . 1 . . . . . . . . 6456 2 61 . 2 2 7 7 PRO CB C 13 32.20 0.2 . 1 . . . . . . . . 6456 2 62 . 2 2 7 7 PRO CG C 13 27.47 0.2 . 1 . . . . . . . . 6456 2 63 . 2 2 7 7 PRO CD C 13 50.57 0.2 . 1 . . . . . . . . 6456 2 64 . 2 2 8 8 THR H H 1 8.08 0.02 . 1 . . . . . . . . 6456 2 65 . 2 2 8 8 THR HA H 1 3.95 0.02 . 1 . . . . . . . . 6456 2 66 . 2 2 8 8 THR HB H 1 3.89 0.02 . 1 . . . . . . . . 6456 2 67 . 2 2 8 8 THR HG21 H 1 1.20 0.02 . 1 . . . . . . . . 6456 2 68 . 2 2 8 8 THR HG22 H 1 1.20 0.02 . 1 . . . . . . . . 6456 2 69 . 2 2 8 8 THR HG23 H 1 1.20 0.02 . 1 . . . . . . . . 6456 2 70 . 2 2 8 8 THR CA C 13 59.40 0.2 . 1 . . . . . . . . 6456 2 71 . 2 2 8 8 THR CB C 13 68.21 0.2 . 1 . . . . . . . . 6456 2 72 . 2 2 8 8 THR CG2 C 13 22.42 0.2 . 1 . . . . . . . . 6456 2 73 . 2 2 8 8 THR N N 15 113.93 0.2 . 1 . . . . . . . . 6456 2 74 . 2 2 9 9 PRO HA H 1 4.39 0.02 . 1 . . . . . . . . 6456 2 75 . 2 2 9 9 PRO HB2 H 1 1.46 0.02 . 1 . . . . . . . . 6456 2 76 . 2 2 9 9 PRO HB3 H 1 1.46 0.02 . 1 . . . . . . . . 6456 2 77 . 2 2 9 9 PRO HG2 H 1 1.24 0.02 . 2 . . . . . . . . 6456 2 78 . 2 2 9 9 PRO HG3 H 1 1.34 0.02 . 2 . . . . . . . . 6456 2 79 . 2 2 9 9 PRO HD2 H 1 1.76 0.02 . 2 . . . . . . . . 6456 2 80 . 2 2 9 9 PRO HD3 H 1 2.09 0.02 . 2 . . . . . . . . 6456 2 81 . 2 2 9 9 PRO CA C 13 61.91 0.2 . 1 . . . . . . . . 6456 2 82 . 2 2 9 9 PRO CB C 13 30.23 0.2 . 1 . . . . . . . . 6456 2 83 . 2 2 9 9 PRO CG C 13 27.24 0.2 . 1 . . . . . . . . 6456 2 84 . 2 2 9 9 PRO CD C 13 49.56 0.2 . 1 . . . . . . . . 6456 2 85 . 2 2 10 10 PRO HA H 1 4.44 0.02 . 1 . . . . . . . . 6456 2 86 . 2 2 10 10 PRO HB2 H 1 1.81 0.02 . 2 . . . . . . . . 6456 2 87 . 2 2 10 10 PRO HB3 H 1 2.36 0.02 . 2 . . . . . . . . 6456 2 88 . 2 2 10 10 PRO HG2 H 1 2.00 0.02 . 2 . . . . . . . . 6456 2 89 . 2 2 10 10 PRO HG3 H 1 2.16 0.02 . 2 . . . . . . . . 6456 2 90 . 2 2 10 10 PRO HD2 H 1 3.70 0.02 . 2 . . . . . . . . 6456 2 91 . 2 2 10 10 PRO HD3 H 1 3.86 0.02 . 2 . . . . . . . . 6456 2 92 . 2 2 10 10 PRO CA C 13 62.46 0.2 . 1 . . . . . . . . 6456 2 93 . 2 2 10 10 PRO CB C 13 32.23 0.2 . 1 . . . . . . . . 6456 2 94 . 2 2 10 10 PRO CG C 13 27.83 0.2 . 1 . . . . . . . . 6456 2 95 . 2 2 10 10 PRO CD C 13 50.90 0.2 . 1 . . . . . . . . 6456 2 96 . 2 2 11 11 LEU H H 1 8.65 0.02 . 1 . . . . . . . . 6456 2 97 . 2 2 11 11 LEU HA H 1 4.45 0.02 . 1 . . . . . . . . 6456 2 98 . 2 2 11 11 LEU HB2 H 1 1.57 0.02 . 2 . . . . . . . . 6456 2 99 . 2 2 11 11 LEU HB3 H 1 1.85 0.02 . 2 . . . . . . . . 6456 2 100 . 2 2 11 11 LEU HG H 1 1.95 0.02 . 1 . . . . . . . . 6456 2 101 . 2 2 11 11 LEU HD11 H 1 1.28 0.02 . 2 . . . . . . . . 6456 2 102 . 2 2 11 11 LEU HD12 H 1 1.28 0.02 . 2 . . . . . . . . 6456 2 103 . 2 2 11 11 LEU HD13 H 1 1.28 0.02 . 2 . . . . . . . . 6456 2 104 . 2 2 11 11 LEU HD21 H 1 0.68 0.02 . 2 . . . . . . . . 6456 2 105 . 2 2 11 11 LEU HD22 H 1 0.68 0.02 . 2 . . . . . . . . 6456 2 106 . 2 2 11 11 LEU HD23 H 1 0.68 0.02 . 2 . . . . . . . . 6456 2 107 . 2 2 11 11 LEU CA C 13 52.78 0.2 . 1 . . . . . . . . 6456 2 108 . 2 2 11 11 LEU CB C 13 41.36 0.2 . 1 . . . . . . . . 6456 2 109 . 2 2 11 11 LEU CG C 13 27.15 0.2 . 1 . . . . . . . . 6456 2 110 . 2 2 11 11 LEU CD1 C 13 26.37 0.2 . 2 . . . . . . . . 6456 2 111 . 2 2 11 11 LEU CD2 C 13 24.33 0.2 . 2 . . . . . . . . 6456 2 112 . 2 2 11 11 LEU N N 15 123.93 0.2 . 1 . . . . . . . . 6456 2 113 . 2 2 12 12 PRO HA H 1 4.82 0.02 . 1 . . . . . . . . 6456 2 114 . 2 2 12 12 PRO HB2 H 1 1.69 0.02 . 2 . . . . . . . . 6456 2 115 . 2 2 12 12 PRO HB3 H 1 2.38 0.02 . 2 . . . . . . . . 6456 2 116 . 2 2 12 12 PRO HG2 H 1 1.28 0.02 . 2 . . . . . . . . 6456 2 117 . 2 2 12 12 PRO HG3 H 1 1.60 0.02 . 2 . . . . . . . . 6456 2 118 . 2 2 12 12 PRO HD2 H 1 2.96 0.02 . 2 . . . . . . . . 6456 2 119 . 2 2 12 12 PRO HD3 H 1 3.99 0.02 . 2 . . . . . . . . 6456 2 120 . 2 2 12 12 PRO CA C 13 61.06 0.2 . 1 . . . . . . . . 6456 2 121 . 2 2 12 12 PRO CB C 13 30.34 0.2 . 1 . . . . . . . . 6456 2 122 . 2 2 12 12 PRO CG C 13 26.44 0.2 . 1 . . . . . . . . 6456 2 123 . 2 2 12 12 PRO CD C 13 50.45 0.2 . 1 . . . . . . . . 6456 2 124 . 2 2 13 13 PRO HA H 1 4.42 0.02 . 1 . . . . . . . . 6456 2 125 . 2 2 13 13 PRO HB2 H 1 2.34 0.02 . 2 . . . . . . . . 6456 2 126 . 2 2 13 13 PRO HB3 H 1 2.60 0.02 . 2 . . . . . . . . 6456 2 127 . 2 2 13 13 PRO HG2 H 1 2.03 0.02 . 1 . . . . . . . . 6456 2 128 . 2 2 13 13 PRO HG3 H 1 2.03 0.02 . 1 . . . . . . . . 6456 2 129 . 2 2 13 13 PRO HD2 H 1 3.70 0.02 . 2 . . . . . . . . 6456 2 130 . 2 2 13 13 PRO HD3 H 1 3.86 0.02 . 2 . . . . . . . . 6456 2 131 . 2 2 13 13 PRO CA C 13 63.28 0.2 . 1 . . . . . . . . 6456 2 132 . 2 2 13 13 PRO CB C 13 32.13 0.2 . 1 . . . . . . . . 6456 2 133 . 2 2 13 13 PRO CG C 13 27.47 0.2 . 1 . . . . . . . . 6456 2 134 . 2 2 13 13 PRO CD C 13 50.57 0.2 . 1 . . . . . . . . 6456 2 135 . 2 2 14 14 ARG H H 1 8.69 0.02 . 1 . . . . . . . . 6456 2 136 . 2 2 14 14 ARG HA H 1 4.33 0.02 . 1 . . . . . . . . 6456 2 137 . 2 2 14 14 ARG HB2 H 1 1.12 0.02 . 2 . . . . . . . . 6456 2 138 . 2 2 14 14 ARG HB3 H 1 1.39 0.02 . 2 . . . . . . . . 6456 2 139 . 2 2 14 14 ARG HG2 H 1 0.26 0.02 . 2 . . . . . . . . 6456 2 140 . 2 2 14 14 ARG HG3 H 1 0.60 0.02 . 2 . . . . . . . . 6456 2 141 . 2 2 14 14 ARG HD2 H 1 1.76 0.02 . 1 . . . . . . . . 6456 2 142 . 2 2 14 14 ARG HD3 H 1 1.76 0.02 . 1 . . . . . . . . 6456 2 143 . 2 2 14 14 ARG CA C 13 53.06 0.2 . 1 . . . . . . . . 6456 2 144 . 2 2 14 14 ARG CB C 13 31.34 0.2 . 1 . . . . . . . . 6456 2 145 . 2 2 14 14 ARG CG C 13 26.73 0.2 . 1 . . . . . . . . 6456 2 146 . 2 2 14 14 ARG CD C 13 42.33 0.2 . 1 . . . . . . . . 6456 2 147 . 2 2 14 14 ARG N N 15 125.87 0.2 . 1 . . . . . . . . 6456 2 148 . 2 2 15 15 PRO HA H 1 4.39 0.02 . 1 . . . . . . . . 6456 2 149 . 2 2 15 15 PRO HB2 H 1 1.84 0.02 . 2 . . . . . . . . 6456 2 150 . 2 2 15 15 PRO HB3 H 1 2.38 0.02 . 2 . . . . . . . . 6456 2 151 . 2 2 15 15 PRO HG2 H 1 2.01 0.02 . 2 . . . . . . . . 6456 2 152 . 2 2 15 15 PRO HG3 H 1 2.16 0.02 . 2 . . . . . . . . 6456 2 153 . 2 2 15 15 PRO HD2 H 1 3.18 0.02 . 2 . . . . . . . . 6456 2 154 . 2 2 15 15 PRO HD3 H 1 3.97 0.02 . 2 . . . . . . . . 6456 2 155 . 2 2 15 15 PRO CA C 13 62.75 0.2 . 1 . . . . . . . . 6456 2 156 . 2 2 15 15 PRO CB C 13 32.22 0.2 . 1 . . . . . . . . 6456 2 157 . 2 2 15 15 PRO CG C 13 27.75 0.2 . 1 . . . . . . . . 6456 2 158 . 2 2 15 15 PRO CD C 13 51.03 0.2 . 1 . . . . . . . . 6456 2 159 . 2 2 16 16 ALA H H 1 8.60 0.02 . 1 . . . . . . . . 6456 2 160 . 2 2 16 16 ALA HA H 1 4.02 0.02 . 1 . . . . . . . . 6456 2 161 . 2 2 16 16 ALA HB1 H 1 1.36 0.02 . 1 . . . . . . . . 6456 2 162 . 2 2 16 16 ALA HB2 H 1 1.36 0.02 . 1 . . . . . . . . 6456 2 163 . 2 2 16 16 ALA HB3 H 1 1.36 0.02 . 1 . . . . . . . . 6456 2 164 . 2 2 16 16 ALA CA C 13 53.66 0.2 . 1 . . . . . . . . 6456 2 165 . 2 2 16 16 ALA CB C 13 18.71 0.2 . 1 . . . . . . . . 6456 2 166 . 2 2 16 16 ALA N N 15 124.76 0.2 . 1 . . . . . . . . 6456 2 167 . 2 2 17 17 ASN H H 1 8.20 0.02 . 1 . . . . . . . . 6456 2 168 . 2 2 17 17 ASN HA H 1 4.57 0.02 . 1 . . . . . . . . 6456 2 169 . 2 2 17 17 ASN HB2 H 1 2.73 0.02 . 2 . . . . . . . . 6456 2 170 . 2 2 17 17 ASN HB3 H 1 2.85 0.02 . 2 . . . . . . . . 6456 2 171 . 2 2 17 17 ASN HD21 H 1 7.64 0.02 . 1 . . . . . . . . 6456 2 172 . 2 2 17 17 ASN HD22 H 1 6.84 0.02 . 1 . . . . . . . . 6456 2 173 . 2 2 17 17 ASN CA C 13 52.70 0.2 . 1 . . . . . . . . 6456 2 174 . 2 2 17 17 ASN CB C 13 37.87 0.2 . 1 . . . . . . . . 6456 2 175 . 2 2 17 17 ASN N N 15 113.88 0.2 . 1 . . . . . . . . 6456 2 176 . 2 2 17 17 ASN ND2 N 15 112.50 0.2 . 1 . . . . . . . . 6456 2 177 . 2 2 18 18 LEU H H 1 7.42 0.02 . 1 . . . . . . . . 6456 2 178 . 2 2 18 18 LEU HA H 1 3.91 0.02 . 1 . . . . . . . . 6456 2 179 . 2 2 18 18 LEU HB2 H 1 1.07 0.02 . 2 . . . . . . . . 6456 2 180 . 2 2 18 18 LEU HB3 H 1 1.03 0.02 . 2 . . . . . . . . 6456 2 181 . 2 2 18 18 LEU HG H 1 0.67 0.02 . 1 . . . . . . . . 6456 2 182 . 2 2 18 18 LEU HD11 H 1 0.34 0.02 . 2 . . . . . . . . 6456 2 183 . 2 2 18 18 LEU HD12 H 1 0.34 0.02 . 2 . . . . . . . . 6456 2 184 . 2 2 18 18 LEU HD13 H 1 0.34 0.02 . 2 . . . . . . . . 6456 2 185 . 2 2 18 18 LEU HD21 H 1 0.13 0.02 . 2 . . . . . . . . 6456 2 186 . 2 2 18 18 LEU HD22 H 1 0.13 0.02 . 2 . . . . . . . . 6456 2 187 . 2 2 18 18 LEU HD23 H 1 0.13 0.02 . 2 . . . . . . . . 6456 2 188 . 2 2 18 18 LEU CA C 13 56.01 0.2 . 1 . . . . . . . . 6456 2 189 . 2 2 18 18 LEU CB C 13 41.48 0.2 . 1 . . . . . . . . 6456 2 190 . 2 2 18 18 LEU CG C 13 26.15 0.2 . 1 . . . . . . . . 6456 2 191 . 2 2 18 18 LEU CD1 C 13 24.12 0.2 . 1 . . . . . . . . 6456 2 192 . 2 2 18 18 LEU CD2 C 13 24.12 0.2 . 1 . . . . . . . . 6456 2 193 . 2 2 18 18 LEU N N 15 121.26 0.2 . 1 . . . . . . . . 6456 2 194 . 2 2 19 19 GLY H H 1 8.53 0.02 . 1 . . . . . . . . 6456 2 195 . 2 2 19 19 GLY HA2 H 1 3.79 0.02 . 2 . . . . . . . . 6456 2 196 . 2 2 19 19 GLY HA3 H 1 4.02 0.02 . 2 . . . . . . . . 6456 2 197 . 2 2 19 19 GLY CA C 13 45.05 0.2 . 1 . . . . . . . . 6456 2 198 . 2 2 19 19 GLY N N 15 110.89 0.2 . 1 . . . . . . . . 6456 2 199 . 2 2 20 20 GLU H H 1 8.01 0.02 . 1 . . . . . . . . 6456 2 200 . 2 2 20 20 GLU HA H 1 4.29 0.02 . 1 . . . . . . . . 6456 2 201 . 2 2 20 20 GLU HB2 H 1 1.95 0.02 . 2 . . . . . . . . 6456 2 202 . 2 2 20 20 GLU HB3 H 1 2.05 0.02 . 2 . . . . . . . . 6456 2 203 . 2 2 20 20 GLU HG2 H 1 2.22 0.02 . 1 . . . . . . . . 6456 2 204 . 2 2 20 20 GLU HG3 H 1 2.22 0.02 . 1 . . . . . . . . 6456 2 205 . 2 2 20 20 GLU CA C 13 56.43 0.2 . 1 . . . . . . . . 6456 2 206 . 2 2 20 20 GLU CB C 13 30.47 0.2 . 1 . . . . . . . . 6456 2 207 . 2 2 20 20 GLU CG C 13 36.23 0.2 . 1 . . . . . . . . 6456 2 208 . 2 2 20 20 GLU N N 15 120.41 0.2 . 1 . . . . . . . . 6456 2 209 . 2 2 21 21 ARG H H 1 8.50 0.02 . 1 . . . . . . . . 6456 2 210 . 2 2 21 21 ARG HA H 1 4.35 0.02 . 1 . . . . . . . . 6456 2 211 . 2 2 21 21 ARG HB2 H 1 1.78 0.02 . 2 . . . . . . . . 6456 2 212 . 2 2 21 21 ARG HB3 H 1 1.85 0.02 . 2 . . . . . . . . 6456 2 213 . 2 2 21 21 ARG HG2 H 1 1.64 0.02 . 1 . . . . . . . . 6456 2 214 . 2 2 21 21 ARG HG3 H 1 1.64 0.02 . 1 . . . . . . . . 6456 2 215 . 2 2 21 21 ARG HD2 H 1 3.19 0.02 . 1 . . . . . . . . 6456 2 216 . 2 2 21 21 ARG HD3 H 1 3.19 0.02 . 1 . . . . . . . . 6456 2 217 . 2 2 21 21 ARG CA C 13 56.17 0.2 . 1 . . . . . . . . 6456 2 218 . 2 2 21 21 ARG CB C 13 30.91 0.2 . 1 . . . . . . . . 6456 2 219 . 2 2 21 21 ARG CG C 13 27.11 0.2 . 1 . . . . . . . . 6456 2 220 . 2 2 21 21 ARG CD C 13 43.38 0.2 . 1 . . . . . . . . 6456 2 221 . 2 2 21 21 ARG N N 15 122.89 0.2 . 1 . . . . . . . . 6456 2 222 . 2 2 22 22 GLN H H 1 8.56 0.02 . 1 . . . . . . . . 6456 2 223 . 2 2 22 22 GLN HA H 1 4.34 0.02 . 1 . . . . . . . . 6456 2 224 . 2 2 22 22 GLN HB2 H 1 1.90 0.02 . 2 . . . . . . . . 6456 2 225 . 2 2 22 22 GLN HB3 H 1 2.14 0.02 . 2 . . . . . . . . 6456 2 226 . 2 2 22 22 GLN HG2 H 1 2.39 0.02 . 1 . . . . . . . . 6456 2 227 . 2 2 22 22 GLN HG3 H 1 2.39 0.02 . 1 . . . . . . . . 6456 2 228 . 2 2 22 22 GLN HE21 H 1 7.61 0.02 . 1 . . . . . . . . 6456 2 229 . 2 2 22 22 GLN HE22 H 1 6.87 0.02 . 1 . . . . . . . . 6456 2 230 . 2 2 22 22 GLN CA C 13 55.77 0.2 . 1 . . . . . . . . 6456 2 231 . 2 2 22 22 GLN CB C 13 29.67 0.2 . 1 . . . . . . . . 6456 2 232 . 2 2 22 22 GLN CG C 13 33.89 0.2 . 1 . . . . . . . . 6456 2 233 . 2 2 22 22 GLN N N 15 123.12 0.2 . 1 . . . . . . . . 6456 2 234 . 2 2 22 22 GLN NE2 N 15 112.95 0.2 . 1 . . . . . . . . 6456 2 235 . 2 2 23 23 ALA H H 1 8.08 0.02 . 1 . . . . . . . . 6456 2 236 . 2 2 23 23 ALA HA H 1 4.12 0.02 . 1 . . . . . . . . 6456 2 237 . 2 2 23 23 ALA HB1 H 1 1.34 0.02 . 1 . . . . . . . . 6456 2 238 . 2 2 23 23 ALA HB2 H 1 1.34 0.02 . 1 . . . . . . . . 6456 2 239 . 2 2 23 23 ALA HB3 H 1 1.34 0.02 . 1 . . . . . . . . 6456 2 240 . 2 2 23 23 ALA CA C 13 53.89 0.2 . 1 . . . . . . . . 6456 2 241 . 2 2 23 23 ALA CB C 13 20.18 0.2 . 1 . . . . . . . . 6456 2 242 . 2 2 23 23 ALA N N 15 110.05 0.2 . 1 . . . . . . . . 6456 2 stop_ save_