data_11431 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11431 _Entry.Title ; SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF THE HMGB2 (H22Y) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-02-23 _Entry.Accession_date 2011-02-23 _Entry.Last_release_date 2012-06-05 _Entry.Original_release_date 2012-06-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.0.46 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 J. KURITA . . . 11431 2 J. UEWAKI . . . 11431 3 H. SHIMAHARA . . . 11431 4 M. YOSHIDA . . . 11431 5 S. TATE . . . 11431 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11431 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 312 11431 '15N chemical shifts' 71 11431 '1H chemical shifts' 547 11431 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 . . 2012-06-05 2011-02-23 original author . 11431 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 11429 'SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF THE HMGB2' 11431 BMRB 11430 'SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF THE HMGB2' 11431 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11431 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'STRUCUTRAL COMPARISON OF TWO HMG-BOXES IN THE NON-HISTONE PROTEIN HMG-2 WITH IN THE HMG-1' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. KURITA . . . 11431 1 2 J. UEWAKI . . . 11431 1 3 H. SHIMAHARA . . . 11431 1 4 M. YOSHIDA . . . 11431 1 5 S. TATE . . . 11431 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11431 _Assembly.ID 1 _Assembly.Name 'HMGB2 B-domain (H22Y)' _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 yes _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HMG2B-H22Y 1 $HMG2B-H22Y A . yes native no no . . . 11431 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HMG2B-H22Y _Entity.Sf_category entity _Entity.Sf_framecode HMG2B-H22Y _Entity.Entry_ID 11431 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HMG2B-H22Y _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 ; MKKKDPNAPKRPPSAFFLFC SEYRPKIKSEHPGLSIGDTA KKLGEMWSEQSAKDKQPYEQ KAAKLKEKYEKDIAAYRAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic yes _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11430 . HMG2B . . . . . 97.47 78 98.70 100.00 5.69e-46 . . . . 11431 1 2 no PDB 1J3C . "Solution Structure Of The C-Terminal Domain Of The Hmgb2" . . . . . 100.00 79 100.00 100.00 5.03e-48 . . . . 11431 1 3 no PDB 1J3D . "Solution Structure Of The C-Terminal Domain Of The Hmgb2" . . . . . 97.47 78 98.70 100.00 5.69e-46 . . . . 11431 1 4 no EMBL CAA78938 . "HMG2B [Homo sapiens]" . . . . . 98.73 186 97.44 98.72 8.75e-45 . . . . 11431 1 5 no GB EDL28622 . "mCG11166, partial [Mus musculus]" . . . . . 98.73 160 97.44 97.44 6.07e-45 . . . . 11431 1 6 no GB EDM11073 . "rCG63620, partial [Rattus norvegicus]" . . . . . 98.73 198 98.72 100.00 1.10e-45 . . . . 11431 1 7 no GB EGV91758 . "High mobility group protein B2 [Cricetulus griseus]" . . . . . 98.73 159 98.72 100.00 1.94e-46 . . . . 11431 1 8 no GB ELW73033 . "High mobility group protein B2 [Tupaia chinensis]" . . . . . 98.73 234 98.72 100.00 8.73e-45 . . . . 11431 1 9 no GB EOA95742 . "High mobility group protein B2, partial [Anas platyrhynchos]" . . . . . 98.73 200 97.44 100.00 3.82e-45 . . . . 11431 1 10 no REF XP_002187513 . "PREDICTED: high mobility group protein B2 [Taeniopygia guttata]" . . . . . 98.73 145 97.44 100.00 1.02e-45 . . . . 11431 1 11 no REF XP_003938773 . "PREDICTED: high mobility group protein B2 [Saimiri boliviensis boliviensis]" . . . . . 98.73 158 98.72 100.00 1.26e-46 . . . . 11431 1 12 no REF XP_004610441 . "PREDICTED: high mobility group protein B2 [Sorex araneus]" . . . . . 98.73 157 100.00 100.00 2.51e-47 . . . . 11431 1 13 no REF XP_006194086 . "PREDICTED: high mobility group protein B2 [Camelus ferus]" . . . . . 98.73 159 98.72 100.00 1.43e-46 . . . . 11431 1 14 no REF XP_007171599 . "PREDICTED: high mobility group protein B2-like [Balaenoptera acutorostrata scammoni]" . . . . . 98.73 159 98.72 100.00 1.56e-46 . . . . 11431 1 15 no TPG DAA30815 . "TPA: high-mobility group box 2-like [Bos taurus]" . . . . . 98.73 283 98.72 100.00 9.47e-45 . . . . 11431 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 11431 1 2 . LYS . 11431 1 3 . LYS . 11431 1 4 . LYS . 11431 1 5 . ASP . 11431 1 6 . PRO . 11431 1 7 . ASN . 11431 1 8 . ALA . 11431 1 9 . PRO . 11431 1 10 . LYS . 11431 1 11 . ARG . 11431 1 12 . PRO . 11431 1 13 . PRO . 11431 1 14 . SER . 11431 1 15 . ALA . 11431 1 16 . PHE . 11431 1 17 . PHE . 11431 1 18 . LEU . 11431 1 19 . PHE . 11431 1 20 . CYS . 11431 1 21 . SER . 11431 1 22 . GLU . 11431 1 23 . TYR . 11431 1 24 . ARG . 11431 1 25 . PRO . 11431 1 26 . LYS . 11431 1 27 . ILE . 11431 1 28 . LYS . 11431 1 29 . SER . 11431 1 30 . GLU . 11431 1 31 . HIS . 11431 1 32 . PRO . 11431 1 33 . GLY . 11431 1 34 . LEU . 11431 1 35 . SER . 11431 1 36 . ILE . 11431 1 37 . GLY . 11431 1 38 . ASP . 11431 1 39 . THR . 11431 1 40 . ALA . 11431 1 41 . LYS . 11431 1 42 . LYS . 11431 1 43 . LEU . 11431 1 44 . GLY . 11431 1 45 . GLU . 11431 1 46 . MET . 11431 1 47 . TRP . 11431 1 48 . SER . 11431 1 49 . GLU . 11431 1 50 . GLN . 11431 1 51 . SER . 11431 1 52 . ALA . 11431 1 53 . LYS . 11431 1 54 . ASP . 11431 1 55 . LYS . 11431 1 56 . GLN . 11431 1 57 . PRO . 11431 1 58 . TYR . 11431 1 59 . GLU . 11431 1 60 . GLN . 11431 1 61 . LYS . 11431 1 62 . ALA . 11431 1 63 . ALA . 11431 1 64 . LYS . 11431 1 65 . LEU . 11431 1 66 . LYS . 11431 1 67 . GLU . 11431 1 68 . LYS . 11431 1 69 . TYR . 11431 1 70 . GLU . 11431 1 71 . LYS . 11431 1 72 . ASP . 11431 1 73 . ILE . 11431 1 74 . ALA . 11431 1 75 . ALA . 11431 1 76 . TYR . 11431 1 77 . ARG . 11431 1 78 . ALA . 11431 1 79 . LYS . 11431 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 11431 1 . LYS 2 2 11431 1 . LYS 3 3 11431 1 . LYS 4 4 11431 1 . ASP 5 5 11431 1 . PRO 6 6 11431 1 . ASN 7 7 11431 1 . ALA 8 8 11431 1 . PRO 9 9 11431 1 . LYS 10 10 11431 1 . ARG 11 11 11431 1 . PRO 12 12 11431 1 . PRO 13 13 11431 1 . SER 14 14 11431 1 . ALA 15 15 11431 1 . PHE 16 16 11431 1 . PHE 17 17 11431 1 . LEU 18 18 11431 1 . PHE 19 19 11431 1 . CYS 20 20 11431 1 . SER 21 21 11431 1 . GLU 22 22 11431 1 . TYR 23 23 11431 1 . ARG 24 24 11431 1 . PRO 25 25 11431 1 . LYS 26 26 11431 1 . ILE 27 27 11431 1 . LYS 28 28 11431 1 . SER 29 29 11431 1 . GLU 30 30 11431 1 . HIS 31 31 11431 1 . PRO 32 32 11431 1 . GLY 33 33 11431 1 . LEU 34 34 11431 1 . SER 35 35 11431 1 . ILE 36 36 11431 1 . GLY 37 37 11431 1 . ASP 38 38 11431 1 . THR 39 39 11431 1 . ALA 40 40 11431 1 . LYS 41 41 11431 1 . LYS 42 42 11431 1 . LEU 43 43 11431 1 . GLY 44 44 11431 1 . GLU 45 45 11431 1 . MET 46 46 11431 1 . TRP 47 47 11431 1 . SER 48 48 11431 1 . GLU 49 49 11431 1 . GLN 50 50 11431 1 . SER 51 51 11431 1 . ALA 52 52 11431 1 . LYS 53 53 11431 1 . ASP 54 54 11431 1 . LYS 55 55 11431 1 . GLN 56 56 11431 1 . PRO 57 57 11431 1 . TYR 58 58 11431 1 . GLU 59 59 11431 1 . GLN 60 60 11431 1 . LYS 61 61 11431 1 . ALA 62 62 11431 1 . ALA 63 63 11431 1 . LYS 64 64 11431 1 . LEU 65 65 11431 1 . LYS 66 66 11431 1 . GLU 67 67 11431 1 . LYS 68 68 11431 1 . TYR 69 69 11431 1 . GLU 70 70 11431 1 . LYS 71 71 11431 1 . ASP 72 72 11431 1 . ILE 73 73 11431 1 . ALA 74 74 11431 1 . ALA 75 75 11431 1 . TYR 76 76 11431 1 . ARG 77 77 11431 1 . ALA 78 78 11431 1 . LYS 79 79 11431 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 11431 _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 $HMG2B-H22Y . 9823 organism . 'Sus scrofa' pig . . Eukaryota Metazoa Sus scrofa . . . . . . . . . . . . . . . . . . . . . 11431 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 11431 _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 $HMG2B-H22Y . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . pET22b . . . . . . 11431 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11431 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HMG2B-H22Y '[U-13C; U-15N]' . . 1 $HMG2B-H22Y . protein 1 . . mM . . . . 11431 1 2 H2O . . . . . . solvent 95 . . % . . . . 11431 1 3 D2O . . . . . . solvent 5 . . % . . . . 11431 1 4 'sodium acetate' 'natural abundance' . . . . . buffer 50 . . mM . . . . 11431 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11431 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 11431 1 pH 5.0 . pH 11431 1 pressure 1 . atm 11431 1 temperature 298 . K 11431 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11431 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11431 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11431 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11431 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11431 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 750 . . . 11431 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 11431 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11431 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11431 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11431 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11431 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 11431 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11431 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11431 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11431 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11431 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11431 1 3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 11431 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 MET HA H 1 4.06 . . 1 . . . . 1 MET HA . 11431 1 2 . 1 1 1 1 MET HB2 H 1 2.13 . . . . . . . 1 MET HB2 . 11431 1 3 . 1 1 1 1 MET HG2 H 1 2.59 . . 2 . . . . 1 MET HG2 . 11431 1 4 . 1 1 1 1 MET HG3 H 1 2.59 . . 2 . . . . 1 MET HG3 . 11431 1 5 . 1 1 1 1 MET CA C 13 55.06 . . 1 . . . . 1 MET CA . 11431 1 6 . 1 1 1 1 MET CB C 13 33.12 . . 1 . . . . 1 MET CB . 11431 1 7 . 1 1 2 2 LYS H H 1 8.74 . . 1 . . . . 2 LYS H . 11431 1 8 . 1 1 2 2 LYS HA H 1 4.36 . . 1 . . . . 2 LYS HA . 11431 1 9 . 1 1 2 2 LYS HB2 H 1 1.81 . . . . . . . 2 LYS HB2 . 11431 1 10 . 1 1 2 2 LYS HD2 H 1 1.69 . . 2 . . . . 2 LYS HD2 . 11431 1 11 . 1 1 2 2 LYS HD3 H 1 1.69 . . 2 . . . . 2 LYS HD3 . 11431 1 12 . 1 1 2 2 LYS HE2 H 1 2.99 . . 2 . . . . 2 LYS HE2 . 11431 1 13 . 1 1 2 2 LYS HE3 H 1 2.99 . . 2 . . . . 2 LYS HE3 . 11431 1 14 . 1 1 2 2 LYS HG2 H 1 1.44 . . 2 . . . . 2 LYS HG2 . 11431 1 15 . 1 1 2 2 LYS HG3 H 1 1.44 . . 2 . . . . 2 LYS HG3 . 11431 1 16 . 1 1 2 2 LYS C C 13 171.26 . . 1 . . . . 2 LYS C . 11431 1 17 . 1 1 2 2 LYS CA C 13 56.39 . . 1 . . . . 2 LYS CA . 11431 1 18 . 1 1 2 2 LYS CB C 13 33.19 . . 1 . . . . 2 LYS CB . 11431 1 19 . 1 1 2 2 LYS CD C 13 29.12 . . 1 . . . . 2 LYS CD . 11431 1 20 . 1 1 2 2 LYS CE C 13 41.87 . . 1 . . . . 2 LYS CE . 11431 1 21 . 1 1 2 2 LYS CG C 13 24.65 . . 1 . . . . 2 LYS CG . 11431 1 22 . 1 1 2 2 LYS N N 15 125.03 . . 1 . . . . 2 LYS N . 11431 1 23 . 1 1 3 3 LYS H H 1 8.45 . . 1 . . . . 3 LYS H . 11431 1 24 . 1 1 3 3 LYS HA H 1 4.27 . . 1 . . . . 3 LYS HA . 11431 1 25 . 1 1 3 3 LYS HB2 H 1 1.75 . . . . . . . 3 LYS HB2 . 11431 1 26 . 1 1 3 3 LYS HD2 H 1 1.69 . . 2 . . . . 3 LYS HD2 . 11431 1 27 . 1 1 3 3 LYS HD3 H 1 1.69 . . 2 . . . . 3 LYS HD3 . 11431 1 28 . 1 1 3 3 LYS HE2 H 1 2.99 . . 2 . . . . 3 LYS HE2 . 11431 1 29 . 1 1 3 3 LYS HE3 H 1 2.99 . . 2 . . . . 3 LYS HE3 . 11431 1 30 . 1 1 3 3 LYS HG2 H 1 1.44 . . 2 . . . . 3 LYS HG2 . 11431 1 31 . 1 1 3 3 LYS HG3 H 1 1.44 . . 2 . . . . 3 LYS HG3 . 11431 1 32 . 1 1 3 3 LYS C C 13 175.29 . . 1 . . . . 3 LYS C . 11431 1 33 . 1 1 3 3 LYS CA C 13 56.33 . . 1 . . . . 3 LYS CA . 11431 1 34 . 1 1 3 3 LYS CB C 13 33.18 . . 1 . . . . 3 LYS CB . 11431 1 35 . 1 1 3 3 LYS CD C 13 29.18 . . 1 . . . . 3 LYS CD . 11431 1 36 . 1 1 3 3 LYS CE C 13 41.91 . . 1 . . . . 3 LYS CE . 11431 1 37 . 1 1 3 3 LYS CG C 13 24.72 . . 1 . . . . 3 LYS CG . 11431 1 38 . 1 1 3 3 LYS N N 15 123.83 . . 1 . . . . 3 LYS N . 11431 1 39 . 1 1 4 4 LYS H H 1 8.53 . . 1 . . . . 4 LYS H . 11431 1 40 . 1 1 4 4 LYS HA H 1 4.25 . . 1 . . . . 4 LYS HA . 11431 1 41 . 1 1 4 4 LYS HB2 H 1 1.75 . . . . . . . 4 LYS HB2 . 11431 1 42 . 1 1 4 4 LYS HD2 H 1 1.69 . . 2 . . . . 4 LYS HD2 . 11431 1 43 . 1 1 4 4 LYS HD3 H 1 1.69 . . 2 . . . . 4 LYS HD3 . 11431 1 44 . 1 1 4 4 LYS HE2 H 1 2.99 . . 2 . . . . 4 LYS HE2 . 11431 1 45 . 1 1 4 4 LYS HE3 H 1 2.99 . . 2 . . . . 4 LYS HE3 . 11431 1 46 . 1 1 4 4 LYS HG2 H 1 1.44 . . 2 . . . . 4 LYS HG2 . 11431 1 47 . 1 1 4 4 LYS HG3 H 1 1.44 . . 2 . . . . 4 LYS HG3 . 11431 1 48 . 1 1 4 4 LYS C C 13 174.96 . . 1 . . . . 4 LYS C . 11431 1 49 . 1 1 4 4 LYS CA C 13 56.20 . . 1 . . . . 4 LYS CA . 11431 1 50 . 1 1 4 4 LYS CB C 13 33.18 . . 1 . . . . 4 LYS CB . 11431 1 51 . 1 1 4 4 LYS CD C 13 29.12 . . 1 . . . . 4 LYS CD . 11431 1 52 . 1 1 4 4 LYS CE C 13 41.87 . . 1 . . . . 4 LYS CE . 11431 1 53 . 1 1 4 4 LYS CG C 13 24.65 . . 1 . . . . 4 LYS CG . 11431 1 54 . 1 1 4 4 LYS N N 15 124.18 . . 1 . . . . 4 LYS N . 11431 1 55 . 1 1 5 5 ASP H H 1 8.50 . . 1 . . . . 5 ASP H . 11431 1 56 . 1 1 5 5 ASP HA H 1 4.88 . . 1 . . . . 5 ASP HA . 11431 1 57 . 1 1 5 5 ASP HB2 H 1 2.63 . . . . . . . 5 ASP HB2 . 11431 1 58 . 1 1 5 5 ASP HB3 H 1 2.88 . . . . . . . 5 ASP HB3 . 11431 1 59 . 1 1 5 5 ASP C C 13 174.96 . . 1 . . . . 5 ASP C . 11431 1 60 . 1 1 5 5 ASP CA C 13 51.92 . . 1 . . . . 5 ASP CA . 11431 1 61 . 1 1 5 5 ASP CB C 13 41.43 . . 1 . . . . 5 ASP CB . 11431 1 62 . 1 1 5 5 ASP N N 15 124.35 . . 1 . . . . 5 ASP N . 11431 1 63 . 1 1 6 6 PRO HA H 1 4.44 . . 1 . . . . 6 PRO HA . 11431 1 64 . 1 1 6 6 PRO HB2 H 1 2.01 . . . . . . . 6 PRO HB2 . 11431 1 65 . 1 1 6 6 PRO HB3 H 1 2.30 . . . . . . . 6 PRO HB3 . 11431 1 66 . 1 1 6 6 PRO HD2 H 1 3.92 . . 2 . . . . 6 PRO HD2 . 11431 1 67 . 1 1 6 6 PRO HD3 H 1 3.92 . . 2 . . . . 6 PRO HD3 . 11431 1 68 . 1 1 6 6 PRO HG2 H 1 1.98 . . . . . . . 6 PRO HG2 . 11431 1 69 . 1 1 6 6 PRO HG3 H 1 2.05 . . . . . . . 6 PRO HG3 . 11431 1 70 . 1 1 6 6 PRO CA C 13 63.70 . . 1 . . . . 6 PRO CA . 11431 1 71 . 1 1 6 6 PRO CB C 13 32.18 . . 1 . . . . 6 PRO CB . 11431 1 72 . 1 1 6 6 PRO CD C 13 50.96 . . 1 . . . . 6 PRO CD . 11431 1 73 . 1 1 6 6 PRO CG C 13 26.94 . . 1 . . . . 6 PRO CG . 11431 1 74 . 1 1 7 7 ASN H H 1 8.40 . . 1 . . . . 7 ASN H . 11431 1 75 . 1 1 7 7 ASN HA H 1 4.72 . . 1 . . . . 7 ASN HA . 11431 1 76 . 1 1 7 7 ASN HB2 H 1 2.78 . . . . . . . 7 ASN HB2 . 11431 1 77 . 1 1 7 7 ASN HB3 H 1 2.83 . . . . . . . 7 ASN HB3 . 11431 1 78 . 1 1 7 7 ASN HD21 H 1 7.80 . . . . . . . 7 ASN HD21 . 11431 1 79 . 1 1 7 7 ASN HD22 H 1 7.00 . . . . . . . 7 ASN HD22 . 11431 1 80 . 1 1 7 7 ASN C C 13 175.79 . . 1 . . . . 7 ASN C . 11431 1 81 . 1 1 7 7 ASN CA C 13 52.85 . . 1 . . . . 7 ASN CA . 11431 1 82 . 1 1 7 7 ASN CB C 13 39.19 . . 1 . . . . 7 ASN CB . 11431 1 83 . 1 1 7 7 ASN N N 15 117.68 . . 1 . . . . 7 ASN N . 11431 1 84 . 1 1 8 8 ALA H H 1 7.68 . . 1 . . . . 8 ALA H . 11431 1 85 . 1 1 8 8 ALA HA H 1 3.69 . . 1 . . . . 8 ALA HA . 11431 1 86 . 1 1 8 8 ALA HB1 H 1 1.15 . . 1 . . . . 8 ALA MB . 11431 1 87 . 1 1 8 8 ALA HB2 H 1 1.15 . . 1 . . . . 8 ALA MB . 11431 1 88 . 1 1 8 8 ALA HB3 H 1 1.15 . . 1 . . . . 8 ALA MB . 11431 1 89 . 1 1 8 8 ALA C C 13 173.12 . . 1 . . . . 8 ALA C . 11431 1 90 . 1 1 8 8 ALA CA C 13 52.85 . . 1 . . . . 8 ALA CA . 11431 1 91 . 1 1 8 8 ALA CB C 13 17.48 . . 1 . . . . 8 ALA CB . 11431 1 92 . 1 1 8 8 ALA N N 15 124.70 . . 1 . . . . 8 ALA N . 11431 1 93 . 1 1 9 9 PRO HA H 1 4.34 . . 1 . . . . 9 PRO HA . 11431 1 94 . 1 1 9 9 PRO HB2 H 1 1.85 . . . . . . . 9 PRO HB2 . 11431 1 95 . 1 1 9 9 PRO HB3 H 1 2.37 . . . . . . . 9 PRO HB3 . 11431 1 96 . 1 1 9 9 PRO HD2 H 1 3.04 . . . . . . . 9 PRO HD2 . 11431 1 97 . 1 1 9 9 PRO HD3 H 1 3.24 . . . . . . . 9 PRO HD3 . 11431 1 98 . 1 1 9 9 PRO HG2 H 1 1.67 . . . . . . . 9 PRO HG2 . 11431 1 99 . 1 1 9 9 PRO HG3 H 1 1.80 . . . . . . . 9 PRO HG3 . 11431 1 100 . 1 1 9 9 PRO CA C 13 62.90 . . 1 . . . . 9 PRO CA . 11431 1 101 . 1 1 9 9 PRO CB C 13 31.98 . . 1 . . . . 9 PRO CB . 11431 1 102 . 1 1 9 9 PRO CD C 13 49.96 . . 1 . . . . 9 PRO CD . 11431 1 103 . 1 1 9 9 PRO CG C 13 27.59 . . 1 . . . . 9 PRO CG . 11431 1 104 . 1 1 10 10 LYS H H 1 8.51 . . 1 . . . . 10 LYS H . 11431 1 105 . 1 1 10 10 LYS HA H 1 4.29 . . 1 . . . . 10 LYS HA . 11431 1 106 . 1 1 10 10 LYS HB2 H 1 1.66 . . . . . . . 10 LYS HB2 . 11431 1 107 . 1 1 10 10 LYS HB3 H 1 1.73 . . . . . . . 10 LYS HB3 . 11431 1 108 . 1 1 10 10 LYS HD2 H 1 1.64 . . 2 . . . . 10 LYS HD2 . 11431 1 109 . 1 1 10 10 LYS HD3 H 1 1.64 . . 2 . . . . 10 LYS HD3 . 11431 1 110 . 1 1 10 10 LYS HE2 H 1 2.99 . . 2 . . . . 10 LYS HE2 . 11431 1 111 . 1 1 10 10 LYS HE3 H 1 2.99 . . 2 . . . . 10 LYS HE3 . 11431 1 112 . 1 1 10 10 LYS HG2 H 1 1.44 . . 2 . . . . 10 LYS HG2 . 11431 1 113 . 1 1 10 10 LYS HG3 H 1 1.44 . . 2 . . . . 10 LYS HG3 . 11431 1 114 . 1 1 10 10 LYS C C 13 175.00 . . 1 . . . . 10 LYS C . 11431 1 115 . 1 1 10 10 LYS CA C 13 55.44 . . 1 . . . . 10 LYS CA . 11431 1 116 . 1 1 10 10 LYS CB C 13 33.35 . . 1 . . . . 10 LYS CB . 11431 1 117 . 1 1 10 10 LYS CG C 13 24.73 . . 1 . . . . 10 LYS CG . 11431 1 118 . 1 1 10 10 LYS N N 15 123.36 . . 1 . . . . 10 LYS N . 11431 1 119 . 1 1 11 11 ARG H H 1 8.29 . . 1 . . . . 11 ARG H . 11431 1 120 . 1 1 11 11 ARG HA H 1 3.41 . . 1 . . . . 11 ARG HA . 11431 1 121 . 1 1 11 11 ARG HB2 H 1 1.51 . . . . . . . 11 ARG HB2 . 11431 1 122 . 1 1 11 11 ARG HD2 H 1 3.09 . . 2 . . . . 11 ARG HD2 . 11431 1 123 . 1 1 11 11 ARG HD3 H 1 3.09 . . 2 . . . . 11 ARG HD3 . 11431 1 124 . 1 1 11 11 ARG HG2 H 1 1.56 . . 2 . . . . 11 ARG HG2 . 11431 1 125 . 1 1 11 11 ARG HG3 H 1 1.56 . . 2 . . . . 11 ARG HG3 . 11431 1 126 . 1 1 11 11 ARG C C 13 174.89 . . 1 . . . . 11 ARG C . 11431 1 127 . 1 1 11 11 ARG CA C 13 54.53 . . 1 . . . . 11 ARG CA . 11431 1 128 . 1 1 11 11 ARG CB C 13 29.08 . . 1 . . . . 11 ARG CB . 11431 1 129 . 1 1 11 11 ARG CG C 13 27.40 . . 1 . . . . 11 ARG CG . 11431 1 130 . 1 1 11 11 ARG N N 15 122.86 . . 1 . . . . 11 ARG N . 11431 1 131 . 1 1 12 12 PRO HA H 1 4.63 . . 1 . . . . 12 PRO HA . 11431 1 132 . 1 1 12 12 PRO HB2 H 1 2.03 . . . . . . . 12 PRO HB2 . 11431 1 133 . 1 1 12 12 PRO HB3 H 1 2.11 . . . . . . . 12 PRO HB3 . 11431 1 134 . 1 1 12 12 PRO HD2 H 1 2.74 . . . . . . . 12 PRO HD2 . 11431 1 135 . 1 1 12 12 PRO HD3 H 1 2.97 . . . . . . . 12 PRO HD3 . 11431 1 136 . 1 1 12 12 PRO HG2 H 1 1.70 . . . . . . . 12 PRO HG2 . 11431 1 137 . 1 1 12 12 PRO HG3 H 1 1.90 . . . . . . . 12 PRO HG3 . 11431 1 138 . 1 1 12 12 PRO CA C 13 61.09 . . 1 . . . . 12 PRO CA . 11431 1 139 . 1 1 12 12 PRO CB C 13 30.92 . . 1 . . . . 12 PRO CB . 11431 1 140 . 1 1 12 12 PRO CD C 13 49.59 . . 1 . . . . 12 PRO CD . 11431 1 141 . 1 1 12 12 PRO CG C 13 26.66 . . 1 . . . . 12 PRO CG . 11431 1 142 . 1 1 13 13 PRO HA H 1 4.34 . . 1 . . . . 13 PRO HA . 11431 1 143 . 1 1 13 13 PRO HB2 H 1 1.96 . . . . . . . 13 PRO HB2 . 11431 1 144 . 1 1 13 13 PRO HD2 H 1 3.51 . . . . . . . 13 PRO HD2 . 11431 1 145 . 1 1 13 13 PRO HD3 H 1 3.67 . . . . . . . 13 PRO HD3 . 11431 1 146 . 1 1 13 13 PRO HG2 H 1 2.00 . . 2 . . . . 13 PRO HG2 . 11431 1 147 . 1 1 13 13 PRO HG3 H 1 2.00 . . 2 . . . . 13 PRO HG3 . 11431 1 148 . 1 1 13 13 PRO CA C 13 61.85 . . 1 . . . . 13 PRO CA . 11431 1 149 . 1 1 13 13 PRO CB C 13 33.03 . . 1 . . . . 13 PRO CB . 11431 1 150 . 1 1 13 13 PRO CD C 13 50.42 . . 1 . . . . 13 PRO CD . 11431 1 151 . 1 1 13 13 PRO CG C 13 27.07 . . 1 . . . . 13 PRO CG . 11431 1 152 . 1 1 14 14 SER H H 1 7.84 . . 1 . . . . 14 SER H . 11431 1 153 . 1 1 14 14 SER HA H 1 4.48 . . 1 . . . . 14 SER HA . 11431 1 154 . 1 1 14 14 SER HB2 H 1 4.03 . . . . . . . 14 SER HB2 . 11431 1 155 . 1 1 14 14 SER C C 13 174.82 . . 1 . . . . 14 SER C . 11431 1 156 . 1 1 14 14 SER CA C 13 56.47 . . 1 . . . . 14 SER CA . 11431 1 157 . 1 1 14 14 SER CB C 13 65.75 . . 1 . . . . 14 SER CB . 11431 1 158 . 1 1 14 14 SER N N 15 114.56 . . 1 . . . . 14 SER N . 11431 1 159 . 1 1 15 15 ALA H H 1 9.02 . . 1 . . . . 15 ALA H . 11431 1 160 . 1 1 15 15 ALA HA H 1 4.05 . . 1 . . . . 15 ALA HA . 11431 1 161 . 1 1 15 15 ALA HB1 H 1 1.64 . . 1 . . . . 15 ALA MB . 11431 1 162 . 1 1 15 15 ALA HB2 H 1 1.64 . . 1 . . . . 15 ALA MB . 11431 1 163 . 1 1 15 15 ALA HB3 H 1 1.64 . . 1 . . . . 15 ALA MB . 11431 1 164 . 1 1 15 15 ALA C C 13 173.59 . . 1 . . . . 15 ALA C . 11431 1 165 . 1 1 15 15 ALA CA C 13 55.96 . . 1 . . . . 15 ALA CA . 11431 1 166 . 1 1 15 15 ALA CB C 13 18.84 . . 1 . . . . 15 ALA CB . 11431 1 167 . 1 1 15 15 ALA N N 15 122.74 . . 1 . . . . 15 ALA N . 11431 1 168 . 1 1 16 16 PHE H H 1 8.37 . . 1 . . . . 16 PHE H . 11431 1 169 . 1 1 16 16 PHE HA H 1 4.44 . . 1 . . . . 16 PHE HA . 11431 1 170 . 1 1 16 16 PHE HB2 H 1 2.48 . . . . . . . 16 PHE HB2 . 11431 1 171 . 1 1 16 16 PHE HB3 H 1 2.84 . . . . . . . 16 PHE HB3 . 11431 1 172 . 1 1 16 16 PHE HD1 H 1 6.27 . . 3 . . . . 16 PHE HD1 . 11431 1 173 . 1 1 16 16 PHE HD2 H 1 6.27 . . 3 . . . . 16 PHE HD2 . 11431 1 174 . 1 1 16 16 PHE HE1 H 1 7.10 . . 3 . . . . 16 PHE HE1 . 11431 1 175 . 1 1 16 16 PHE HE2 H 1 7.10 . . 3 . . . . 16 PHE HE2 . 11431 1 176 . 1 1 16 16 PHE HZ H 1 7.07 . . 1 . . . . 16 PHE HZ . 11431 1 177 . 1 1 16 16 PHE C C 13 177.56 . . 1 . . . . 16 PHE C . 11431 1 178 . 1 1 16 16 PHE CA C 13 58.86 . . 1 . . . . 16 PHE CA . 11431 1 179 . 1 1 16 16 PHE CB C 13 38.72 . . 1 . . . . 16 PHE CB . 11431 1 180 . 1 1 16 16 PHE N N 15 116.00 . . 1 . . . . 16 PHE N . 11431 1 181 . 1 1 17 17 PHE H H 1 8.14 . . 1 . . . . 17 PHE H . 11431 1 182 . 1 1 17 17 PHE HA H 1 3.70 . . 1 . . . . 17 PHE HA . 11431 1 183 . 1 1 17 17 PHE HB2 H 1 3.17 . . . . . . . 17 PHE HB2 . 11431 1 184 . 1 1 17 17 PHE HB3 H 1 3.31 . . . . . . . 17 PHE HB3 . 11431 1 185 . 1 1 17 17 PHE HD1 H 1 7.09 . . 3 . . . . 17 PHE HD1 . 11431 1 186 . 1 1 17 17 PHE HD2 H 1 7.09 . . 3 . . . . 17 PHE HD2 . 11431 1 187 . 1 1 17 17 PHE HE1 H 1 7.33 . . 3 . . . . 17 PHE HE1 . 11431 1 188 . 1 1 17 17 PHE HE2 H 1 7.33 . . 3 . . . . 17 PHE HE2 . 11431 1 189 . 1 1 17 17 PHE HZ H 1 7.29 . . 1 . . . . 17 PHE HZ . 11431 1 190 . 1 1 17 17 PHE C C 13 176.30 . . 1 . . . . 17 PHE C . 11431 1 191 . 1 1 17 17 PHE CA C 13 61.91 . . 1 . . . . 17 PHE CA . 11431 1 192 . 1 1 17 17 PHE CB C 13 38.89 . . 1 . . . . 17 PHE CB . 11431 1 193 . 1 1 17 17 PHE N N 15 122.76 . . 1 . . . . 17 PHE N . 11431 1 194 . 1 1 18 18 LEU H H 1 8.24 . . 1 . . . . 18 LEU H . 11431 1 195 . 1 1 18 18 LEU HA H 1 4.09 . . 1 . . . . 18 LEU HA . 11431 1 196 . 1 1 18 18 LEU HB2 H 1 1.81 . . . . . . . 18 LEU HB2 . 11431 1 197 . 1 1 18 18 LEU HB3 H 1 2.52 . . . . . . . 18 LEU HB3 . 11431 1 198 . 1 1 18 18 LEU HD11 H 1 0.96 . . . . . . . 18 LEU MD1 . 11431 1 199 . 1 1 18 18 LEU HD12 H 1 0.96 . . . . . . . 18 LEU MD1 . 11431 1 200 . 1 1 18 18 LEU HD13 H 1 0.96 . . . . . . . 18 LEU MD1 . 11431 1 201 . 1 1 18 18 LEU HD21 H 1 1.02 . . . . . . . 18 LEU MD2 . 11431 1 202 . 1 1 18 18 LEU HD22 H 1 1.02 . . . . . . . 18 LEU MD2 . 11431 1 203 . 1 1 18 18 LEU HD23 H 1 1.02 . . . . . . . 18 LEU MD2 . 11431 1 204 . 1 1 18 18 LEU HG H 1 1.08 . . 1 . . . . 18 LEU HG . 11431 1 205 . 1 1 18 18 LEU C C 13 178.00 . . 1 . . . . 18 LEU C . 11431 1 206 . 1 1 18 18 LEU CA C 13 58.14 . . 1 . . . . 18 LEU CA . 11431 1 207 . 1 1 18 18 LEU CB C 13 42.14 . . 1 . . . . 18 LEU CB . 11431 1 208 . 1 1 18 18 LEU CD1 C 13 22.02 . . . . . . . 18 LEU CD1 . 11431 1 209 . 1 1 18 18 LEU CD2 C 13 22.23 . . . . . . . 18 LEU CD2 . 11431 1 210 . 1 1 18 18 LEU CG C 13 26.64 . . 1 . . . . 18 LEU CG . 11431 1 211 . 1 1 18 18 LEU N N 15 121.00 . . 1 . . . . 18 LEU N . 11431 1 212 . 1 1 19 19 PHE H H 1 8.13 . . 1 . . . . 19 PHE H . 11431 1 213 . 1 1 19 19 PHE HA H 1 3.79 . . 1 . . . . 19 PHE HA . 11431 1 214 . 1 1 19 19 PHE HB2 H 1 2.12 . . . . . . . 19 PHE HB2 . 11431 1 215 . 1 1 19 19 PHE HB3 H 1 2.71 . . . . . . . 19 PHE HB3 . 11431 1 216 . 1 1 19 19 PHE HD1 H 1 6.84 . . 3 . . . . 19 PHE HD1 . 11431 1 217 . 1 1 19 19 PHE HD2 H 1 6.84 . . 3 . . . . 19 PHE HD2 . 11431 1 218 . 1 1 19 19 PHE HE1 H 1 7.16 . . 3 . . . . 19 PHE HE1 . 11431 1 219 . 1 1 19 19 PHE HE2 H 1 7.16 . . 3 . . . . 19 PHE HE2 . 11431 1 220 . 1 1 19 19 PHE HZ H 1 6.66 . . 1 . . . . 19 PHE HZ . 11431 1 221 . 1 1 19 19 PHE C C 13 176.09 . . 1 . . . . 19 PHE C . 11431 1 222 . 1 1 19 19 PHE CA C 13 61.51 . . 1 . . . . 19 PHE CA . 11431 1 223 . 1 1 19 19 PHE CB C 13 39.27 . . 1 . . . . 19 PHE CB . 11431 1 224 . 1 1 19 19 PHE N N 15 123.63 . . 1 . . . . 19 PHE N . 11431 1 225 . 1 1 20 20 CYS H H 1 8.44 . . 1 . . . . 20 CYS H . 11431 1 226 . 1 1 20 20 CYS HA H 1 3.64 . . 1 . . . . 20 CYS HA . 11431 1 227 . 1 1 20 20 CYS HB2 H 1 2.14 . . . . . . . 20 CYS HB2 . 11431 1 228 . 1 1 20 20 CYS HB3 H 1 2.53 . . . . . . . 20 CYS HB3 . 11431 1 229 . 1 1 20 20 CYS C C 13 176.66 . . 1 . . . . 20 CYS C . 11431 1 230 . 1 1 20 20 CYS CA C 13 63.95 . . 1 . . . . 20 CYS CA . 11431 1 231 . 1 1 20 20 CYS CB C 13 26.44 . . 1 . . . . 20 CYS CB . 11431 1 232 . 1 1 20 20 CYS N N 15 118.28 . . 1 . . . . 20 CYS N . 11431 1 233 . 1 1 21 21 SER H H 1 8.05 . . 1 . . . . 21 SER H . 11431 1 234 . 1 1 21 21 SER HA H 1 3.88 . . 1 . . . . 21 SER HA . 11431 1 235 . 1 1 21 21 SER HB2 H 1 3.79 . . . . . . . 21 SER HB2 . 11431 1 236 . 1 1 21 21 SER C C 13 175.39 . . 1 . . . . 21 SER C . 11431 1 237 . 1 1 21 21 SER CA C 13 61.43 . . 1 . . . . 21 SER CA . 11431 1 238 . 1 1 21 21 SER CB C 13 62.42 . . 1 . . . . 21 SER CB . 11431 1 239 . 1 1 21 21 SER N N 15 114.84 . . 1 . . . . 21 SER N . 11431 1 240 . 1 1 22 22 GLU H H 1 7.13 . . 1 . . . . 22 GLU H . 11431 1 241 . 1 1 22 22 GLU HA H 1 4.08 . . 1 . . . . 22 GLU HA . 11431 1 242 . 1 1 22 22 GLU HB2 H 1 2.00 . . . . . . . 22 GLU HB2 . 11431 1 243 . 1 1 22 22 GLU HB3 H 1 2.07 . . . . . . . 22 GLU HB3 . 11431 1 244 . 1 1 22 22 GLU HG2 H 1 1.85 . . . . . . . 22 GLU HG2 . 11431 1 245 . 1 1 22 22 GLU HG3 H 1 2.09 . . . . . . . 22 GLU HG3 . 11431 1 246 . 1 1 22 22 GLU C C 13 174.36 . . 1 . . . . 22 GLU C . 11431 1 247 . 1 1 22 22 GLU CA C 13 58.02 . . 1 . . . . 22 GLU CA . 11431 1 248 . 1 1 22 22 GLU CB C 13 29.71 . . 1 . . . . 22 GLU CB . 11431 1 249 . 1 1 22 22 GLU CG C 13 35.72 . . 1 . . . . 22 GLU CG . 11431 1 250 . 1 1 22 22 GLU N N 15 119.05 . . 1 . . . . 22 GLU N . 11431 1 251 . 1 1 23 23 TYR H H 1 7.98 . . 1 . . . . 23 TYR H . 11431 1 252 . 1 1 23 23 TYR HA H 1 4.08 . . 1 . . . . 23 TYR HA . 11431 1 253 . 1 1 23 23 TYR HB2 H 1 2.00 . . . . . . . 23 TYR HB2 . 11431 1 254 . 1 1 23 23 TYR HB3 H 1 2.53 . . . . . . . 23 TYR HB3 . 11431 1 255 . 1 1 23 23 TYR HD1 H 1 6.58 . . 3 . . . . 23 TYR HD1 . 11431 1 256 . 1 1 23 23 TYR HD2 H 1 6.58 . . 3 . . . . 23 TYR HD2 . 11431 1 257 . 1 1 23 23 TYR HE1 H 1 6.81 . . 3 . . . . 23 TYR HE1 . 11431 1 258 . 1 1 23 23 TYR HE2 H 1 6.81 . . 3 . . . . 23 TYR HE2 . 11431 1 259 . 1 1 23 23 TYR C C 13 176.95 . . 1 . . . . 23 TYR C . 11431 1 260 . 1 1 23 23 TYR CA C 13 61.70 . . 1 . . . . 23 TYR CA . 11431 1 261 . 1 1 23 23 TYR CB C 13 39.46 . . 1 . . . . 23 TYR CB . 11431 1 262 . 1 1 23 23 TYR N N 15 115.05 . . 1 . . . . 23 TYR N . 11431 1 263 . 1 1 24 24 ARG H H 1 9.03 . . 1 . . . . 24 ARG H . 11431 1 264 . 1 1 24 24 ARG HA H 1 3.93 . . 1 . . . . 24 ARG HA . 11431 1 265 . 1 1 24 24 ARG HB2 H 1 1.86 . . . . . . . 24 ARG HB2 . 11431 1 266 . 1 1 24 24 ARG HD2 H 1 3.20 . . 2 . . . . 24 ARG HD2 . 11431 1 267 . 1 1 24 24 ARG HD3 H 1 3.20 . . 2 . . . . 24 ARG HD3 . 11431 1 268 . 1 1 24 24 ARG HG2 H 1 1.52 . . 2 . . . . 24 ARG HG2 . 11431 1 269 . 1 1 24 24 ARG HG3 H 1 1.52 . . 2 . . . . 24 ARG HG3 . 11431 1 270 . 1 1 24 24 ARG C C 13 176.07 . . 1 . . . . 24 ARG C . 11431 1 271 . 1 1 24 24 ARG CA C 13 62.43 . . 1 . . . . 24 ARG CA . 11431 1 272 . 1 1 24 24 ARG CB C 13 27.39 . . 1 . . . . 24 ARG CB . 11431 1 273 . 1 1 24 24 ARG CD C 13 42.89 . . 1 . . . . 24 ARG CD . 11431 1 274 . 1 1 24 24 ARG CG C 13 28.92 . . 1 . . . . 24 ARG CG . 11431 1 275 . 1 1 24 24 ARG N N 15 123.23 . . 1 . . . . 24 ARG N . 11431 1 276 . 1 1 25 25 PRO HA H 1 4.26 . . 1 . . . . 25 PRO HA . 11431 1 277 . 1 1 25 25 PRO HB2 H 1 1.77 . . . . . . . 25 PRO HB2 . 11431 1 278 . 1 1 25 25 PRO HB3 H 1 2.28 . . . . . . . 25 PRO HB3 . 11431 1 279 . 1 1 25 25 PRO HD2 H 1 3.49 . . 2 . . . . 25 PRO HD2 . 11431 1 280 . 1 1 25 25 PRO HD3 H 1 3.49 . . 2 . . . . 25 PRO HD3 . 11431 1 281 . 1 1 25 25 PRO HG2 H 1 1.99 . . 2 . . . . 25 PRO HG2 . 11431 1 282 . 1 1 25 25 PRO HG3 H 1 1.99 . . 2 . . . . 25 PRO HG3 . 11431 1 283 . 1 1 25 25 PRO CA C 13 65.56 . . 1 . . . . 25 PRO CA . 11431 1 284 . 1 1 25 25 PRO CB C 13 30.91 . . 1 . . . . 25 PRO CB . 11431 1 285 . 1 1 25 25 PRO CD C 13 50.44 . . 1 . . . . 25 PRO CD . 11431 1 286 . 1 1 25 25 PRO CG C 13 28.15 . . 1 . . . . 25 PRO CG . 11431 1 287 . 1 1 26 26 LYS H H 1 6.73 . . 1 . . . . 26 LYS H . 11431 1 288 . 1 1 26 26 LYS HA H 1 4.11 . . 1 . . . . 26 LYS HA . 11431 1 289 . 1 1 26 26 LYS HB2 H 1 1.98 . . . . . . . 26 LYS HB2 . 11431 1 290 . 1 1 26 26 LYS HD2 H 1 1.66 . . 2 . . . . 26 LYS HD2 . 11431 1 291 . 1 1 26 26 LYS HD3 H 1 1.66 . . 2 . . . . 26 LYS HD3 . 11431 1 292 . 1 1 26 26 LYS HE2 H 1 2.99 . . 2 . . . . 26 LYS HE2 . 11431 1 293 . 1 1 26 26 LYS HE3 H 1 2.99 . . 2 . . . . 26 LYS HE3 . 11431 1 294 . 1 1 26 26 LYS HG2 H 1 1.54 . . 2 . . . . 26 LYS HG2 . 11431 1 295 . 1 1 26 26 LYS HG3 H 1 1.54 . . 2 . . . . 26 LYS HG3 . 11431 1 296 . 1 1 26 26 LYS C C 13 178.29 . . 1 . . . . 26 LYS C . 11431 1 297 . 1 1 26 26 LYS CA C 13 59.07 . . 1 . . . . 26 LYS CA . 11431 1 298 . 1 1 26 26 LYS CB C 13 32.40 . . 1 . . . . 26 LYS CB . 11431 1 299 . 1 1 26 26 LYS CD C 13 29.31 . . 1 . . . . 26 LYS CD . 11431 1 300 . 1 1 26 26 LYS CE C 13 41.76 . . 1 . . . . 26 LYS CE . 11431 1 301 . 1 1 26 26 LYS CG C 13 25.13 . . 1 . . . . 26 LYS CG . 11431 1 302 . 1 1 26 26 LYS N N 15 117.44 . . 1 . . . . 26 LYS N . 11431 1 303 . 1 1 27 27 ILE H H 1 8.12 . . 1 . . . . 27 ILE H . 11431 1 304 . 1 1 27 27 ILE HA H 1 4.00 . . 1 . . . . 27 ILE HA . 11431 1 305 . 1 1 27 27 ILE HB H 1 2.01 . . 1 . . . . 27 ILE HB . 11431 1 306 . 1 1 27 27 ILE HD11 H 1 0.93 . . 1 . . . . 27 ILE MD . 11431 1 307 . 1 1 27 27 ILE HD12 H 1 0.93 . . 1 . . . . 27 ILE MD . 11431 1 308 . 1 1 27 27 ILE HD13 H 1 0.93 . . 1 . . . . 27 ILE MD . 11431 1 309 . 1 1 27 27 ILE HG12 H 1 1.27 . . . . . . . 27 ILE HG12 . 11431 1 310 . 1 1 27 27 ILE HG13 H 1 1.71 . . . . . . . 27 ILE HG13 . 11431 1 311 . 1 1 27 27 ILE HG21 H 1 1.03 . . 1 . . . . 27 ILE MG . 11431 1 312 . 1 1 27 27 ILE HG22 H 1 1.03 . . 1 . . . . 27 ILE MG . 11431 1 313 . 1 1 27 27 ILE HG23 H 1 1.03 . . 1 . . . . 27 ILE MG . 11431 1 314 . 1 1 27 27 ILE C C 13 177.92 . . 1 . . . . 27 ILE C . 11431 1 315 . 1 1 27 27 ILE CA C 13 64.20 . . 1 . . . . 27 ILE CA . 11431 1 316 . 1 1 27 27 ILE CB C 13 37.82 . . 1 . . . . 27 ILE CB . 11431 1 317 . 1 1 27 27 ILE CD1 C 13 13.59 . . 1 . . . . 27 ILE CD1 . 11431 1 318 . 1 1 27 27 ILE CG1 C 13 28.61 . . 1 . . . . 27 ILE CG1 . 11431 1 319 . 1 1 27 27 ILE CG2 C 13 18.43 . . 1 . . . . 27 ILE CG2 . 11431 1 320 . 1 1 27 27 ILE N N 15 119.32 . . 1 . . . . 27 ILE N . 11431 1 321 . 1 1 28 28 LYS H H 1 7.93 . . 1 . . . . 28 LYS H . 11431 1 322 . 1 1 28 28 LYS HA H 1 4.04 . . 1 . . . . 28 LYS HA . 11431 1 323 . 1 1 28 28 LYS HB2 H 1 1.82 . . . . . . . 28 LYS HB2 . 11431 1 324 . 1 1 28 28 LYS HD2 H 1 1.41 . . 2 . . . . 28 LYS HD2 . 11431 1 325 . 1 1 28 28 LYS HD3 H 1 1.41 . . 2 . . . . 28 LYS HD3 . 11431 1 326 . 1 1 28 28 LYS HE2 H 1 3.00 . . 2 . . . . 28 LYS HE2 . 11431 1 327 . 1 1 28 28 LYS HE3 H 1 3.00 . . 2 . . . . 28 LYS HE3 . 11431 1 328 . 1 1 28 28 LYS HG2 H 1 1.56 . . 2 . . . . 28 LYS HG2 . 11431 1 329 . 1 1 28 28 LYS HG3 H 1 1.56 . . 2 . . . . 28 LYS HG3 . 11431 1 330 . 1 1 28 28 LYS C C 13 177.14 . . 1 . . . . 28 LYS C . 11431 1 331 . 1 1 28 28 LYS CA C 13 58.46 . . 1 . . . . 28 LYS CA . 11431 1 332 . 1 1 28 28 LYS CB C 13 31.56 . . 1 . . . . 28 LYS CB . 11431 1 333 . 1 1 28 28 LYS CD C 13 28.60 . . 1 . . . . 28 LYS CD . 11431 1 334 . 1 1 28 28 LYS CE C 13 41.60 . . 1 . . . . 28 LYS CE . 11431 1 335 . 1 1 28 28 LYS CG C 13 24.50 . . 1 . . . . 28 LYS CG . 11431 1 336 . 1 1 28 28 LYS N N 15 118.84 . . 1 . . . . 28 LYS N . 11431 1 337 . 1 1 29 29 SER H H 1 7.57 . . 1 . . . . 29 SER H . 11431 1 338 . 1 1 29 29 SER HA H 1 4.19 . . 1 . . . . 29 SER HA . 11431 1 339 . 1 1 29 29 SER HB2 H 1 3.95 . . . . . . . 29 SER HB2 . 11431 1 340 . 1 1 29 29 SER C C 13 177.26 . . 1 . . . . 29 SER C . 11431 1 341 . 1 1 29 29 SER CA C 13 60.76 . . 1 . . . . 29 SER CA . 11431 1 342 . 1 1 29 29 SER CB C 13 62.98 . . 1 . . . . 29 SER CB . 11431 1 343 . 1 1 29 29 SER N N 15 112.24 . . 1 . . . . 29 SER N . 11431 1 344 . 1 1 30 30 GLU H H 1 7.62 . . 1 . . . . 30 GLU H . 11431 1 345 . 1 1 30 30 GLU HA H 1 4.04 . . 1 . . . . 30 GLU HA . 11431 1 346 . 1 1 30 30 GLU HB2 H 1 1.70 . . . . . . . 30 GLU HB2 . 11431 1 347 . 1 1 30 30 GLU HB3 H 1 1.90 . . . . . . . 30 GLU HB3 . 11431 1 348 . 1 1 30 30 GLU HG2 H 1 2.02 . . . . . . . 30 GLU HG2 . 11431 1 349 . 1 1 30 30 GLU HG3 H 1 2.35 . . . . . . . 30 GLU HG3 . 11431 1 350 . 1 1 30 30 GLU C C 13 175.08 . . 1 . . . . 30 GLU C . 11431 1 351 . 1 1 30 30 GLU CA C 13 57.59 . . 1 . . . . 30 GLU CA . 11431 1 352 . 1 1 30 30 GLU CB C 13 30.75 . . 1 . . . . 30 GLU CB . 11431 1 353 . 1 1 30 30 GLU CG C 13 36.48 . . 1 . . . . 30 GLU CG . 11431 1 354 . 1 1 30 30 GLU N N 15 118.73 . . 1 . . . . 30 GLU N . 11431 1 355 . 1 1 31 31 HIS H H 1 8.08 . . 1 . . . . 31 HIS H . 11431 1 356 . 1 1 31 31 HIS HA H 1 5.02 . . 1 . . . . 31 HIS HA . 11431 1 357 . 1 1 31 31 HIS HB2 H 1 3.08 . . . . . . . 31 HIS HB2 . 11431 1 358 . 1 1 31 31 HIS HB3 H 1 3.22 . . . . . . . 31 HIS HB3 . 11431 1 359 . 1 1 31 31 HIS HD1 H 1 8.28 . . 1 . . . . 31 HIS HD1 . 11431 1 360 . 1 1 31 31 HIS HE1 H 1 7.18 . . 1 . . . . 31 HIS HE1 . 11431 1 361 . 1 1 31 31 HIS C C 13 175.47 . . 1 . . . . 31 HIS C . 11431 1 362 . 1 1 31 31 HIS CA C 13 52.46 . . 1 . . . . 31 HIS CA . 11431 1 363 . 1 1 31 31 HIS CB C 13 29.09 . . 1 . . . . 31 HIS CB . 11431 1 364 . 1 1 31 31 HIS N N 15 115.34 . . 1 . . . . 31 HIS N . 11431 1 365 . 1 1 32 32 PRO HA H 1 4.56 . . 1 . . . . 32 PRO HA . 11431 1 366 . 1 1 32 32 PRO HB2 H 1 1.96 . . . . . . . 32 PRO HB2 . 11431 1 367 . 1 1 32 32 PRO HB3 H 1 2.38 . . . . . . . 32 PRO HB3 . 11431 1 368 . 1 1 32 32 PRO HD2 H 1 3.37 . . . . . . . 32 PRO HD2 . 11431 1 369 . 1 1 32 32 PRO HD3 H 1 3.58 . . . . . . . 32 PRO HD3 . 11431 1 370 . 1 1 32 32 PRO HG2 H 1 2.00 . . 2 . . . . 32 PRO HG2 . 11431 1 371 . 1 1 32 32 PRO HG3 H 1 2.00 . . 2 . . . . 32 PRO HG3 . 11431 1 372 . 1 1 32 32 PRO CA C 13 64.46 . . 1 . . . . 32 PRO CA . 11431 1 373 . 1 1 32 32 PRO CB C 13 31.75 . . 1 . . . . 32 PRO CB . 11431 1 374 . 1 1 32 32 PRO CD C 13 50.32 . . 1 . . . . 32 PRO CD . 11431 1 375 . 1 1 32 32 PRO CG C 13 27.32 . . 1 . . . . 32 PRO CG . 11431 1 376 . 1 1 33 33 GLY H H 1 8.73 . . 1 . . . . 33 GLY H . 11431 1 377 . 1 1 33 33 GLY HA2 H 1 3.82 . . . . . . . 33 GLY HA2 . 11431 1 378 . 1 1 33 33 GLY HA3 H 1 4.01 . . . . . . . 33 GLY HA3 . 11431 1 379 . 1 1 33 33 GLY C C 13 177.19 . . 1 . . . . 33 GLY C . 11431 1 380 . 1 1 33 33 GLY CA C 13 45.20 . . 1 . . . . 33 GLY CA . 11431 1 381 . 1 1 33 33 GLY N N 15 108.16 . . 1 . . . . 33 GLY N . 11431 1 382 . 1 1 34 34 LEU H H 1 7.52 . . 1 . . . . 34 LEU H . 11431 1 383 . 1 1 34 34 LEU HA H 1 4.35 . . 1 . . . . 34 LEU HA . 11431 1 384 . 1 1 34 34 LEU HB2 H 1 1.64 . . . . . . . 34 LEU HB2 . 11431 1 385 . 1 1 34 34 LEU HB3 H 1 1.69 . . . . . . . 34 LEU HB3 . 11431 1 386 . 1 1 34 34 LEU HD11 H 1 0.77 . . . . . . . 34 LEU MD1 . 11431 1 387 . 1 1 34 34 LEU HD12 H 1 0.77 . . . . . . . 34 LEU MD1 . 11431 1 388 . 1 1 34 34 LEU HD13 H 1 0.77 . . . . . . . 34 LEU MD1 . 11431 1 389 . 1 1 34 34 LEU HD21 H 1 0.83 . . . . . . . 34 LEU MD2 . 11431 1 390 . 1 1 34 34 LEU HD22 H 1 0.83 . . . . . . . 34 LEU MD2 . 11431 1 391 . 1 1 34 34 LEU HD23 H 1 0.83 . . . . . . . 34 LEU MD2 . 11431 1 392 . 1 1 34 34 LEU HG H 1 1.81 . . 1 . . . . 34 LEU HG . 11431 1 393 . 1 1 34 34 LEU C C 13 173.77 . . 1 . . . . 34 LEU C . 11431 1 394 . 1 1 34 34 LEU CA C 13 55.33 . . 1 . . . . 34 LEU CA . 11431 1 395 . 1 1 34 34 LEU CB C 13 43.05 . . 1 . . . . 34 LEU CB . 11431 1 396 . 1 1 34 34 LEU CD1 C 13 24.58 . . . . . . . 34 LEU CD1 . 11431 1 397 . 1 1 34 34 LEU CD2 C 13 25.03 . . . . . . . 34 LEU CD2 . 11431 1 398 . 1 1 34 34 LEU N N 15 122.43 . . 1 . . . . 34 LEU N . 11431 1 399 . 1 1 35 35 SER H H 1 9.35 . . 1 . . . . 35 SER H . 11431 1 400 . 1 1 35 35 SER HA H 1 4.47 . . 1 . . . . 35 SER HA . 11431 1 401 . 1 1 35 35 SER HB2 H 1 4.17 . . . . . . . 35 SER HB2 . 11431 1 402 . 1 1 35 35 SER HB3 H 1 4.38 . . . . . . . 35 SER HB3 . 11431 1 403 . 1 1 35 35 SER C C 13 177.07 . . 1 . . . . 35 SER C . 11431 1 404 . 1 1 35 35 SER CA C 13 57.45 . . 1 . . . . 35 SER CA . 11431 1 405 . 1 1 35 35 SER CB C 13 65.13 . . 1 . . . . 35 SER CB . 11431 1 406 . 1 1 35 35 SER N N 15 121.56 . . 1 . . . . 35 SER N . 11431 1 407 . 1 1 36 36 ILE H H 1 9.12 . . 1 . . . . 36 ILE H . 11431 1 408 . 1 1 36 36 ILE HA H 1 3.87 . . 1 . . . . 36 ILE HA . 11431 1 409 . 1 1 36 36 ILE HB H 1 1.88 . . 1 . . . . 36 ILE HB . 11431 1 410 . 1 1 36 36 ILE HD11 H 1 0.94 . . 1 . . . . 36 ILE MD . 11431 1 411 . 1 1 36 36 ILE HD12 H 1 0.94 . . 1 . . . . 36 ILE MD . 11431 1 412 . 1 1 36 36 ILE HD13 H 1 0.94 . . 1 . . . . 36 ILE MD . 11431 1 413 . 1 1 36 36 ILE HG12 H 1 1.69 . . . . . . . 36 ILE HG12 . 11431 1 414 . 1 1 36 36 ILE HG13 H 1 1.27 . . . . . . . 36 ILE HG13 . 11431 1 415 . 1 1 36 36 ILE HG21 H 1 0.98 . . 1 . . . . 36 ILE MG . 11431 1 416 . 1 1 36 36 ILE HG22 H 1 0.98 . . 1 . . . . 36 ILE MG . 11431 1 417 . 1 1 36 36 ILE HG23 H 1 0.98 . . 1 . . . . 36 ILE MG . 11431 1 418 . 1 1 36 36 ILE C C 13 175.46 . . 1 . . . . 36 ILE C . 11431 1 419 . 1 1 36 36 ILE CA C 13 65.28 . . 1 . . . . 36 ILE CA . 11431 1 420 . 1 1 36 36 ILE CB C 13 38.02 . . 1 . . . . 36 ILE CB . 11431 1 421 . 1 1 36 36 ILE CD1 C 13 12.87 . . 1 . . . . 36 ILE CD1 . 11431 1 422 . 1 1 36 36 ILE CG1 C 13 28.58 . . 1 . . . . 36 ILE CG1 . 11431 1 423 . 1 1 36 36 ILE CG2 C 13 16.96 . . 1 . . . . 36 ILE CG2 . 11431 1 424 . 1 1 36 36 ILE N N 15 124.55 . . 1 . . . . 36 ILE N . 11431 1 425 . 1 1 37 37 GLY H H 1 8.92 . . 1 . . . . 37 GLY H . 11431 1 426 . 1 1 37 37 GLY HA2 H 1 3.94 . . . . . . . 37 GLY HA2 . 11431 1 427 . 1 1 37 37 GLY C C 13 178.61 . . 1 . . . . 37 GLY C . 11431 1 428 . 1 1 37 37 GLY CA C 13 46.90 . . 1 . . . . 37 GLY CA . 11431 1 429 . 1 1 37 37 GLY N N 15 110.01 . . 1 . . . . 37 GLY N . 11431 1 430 . 1 1 38 38 ASP H H 1 8.15 . . 1 . . . . 38 ASP H . 11431 1 431 . 1 1 38 38 ASP HA H 1 4.57 . . 1 . . . . 38 ASP HA . 11431 1 432 . 1 1 38 38 ASP HB2 H 1 2.59 . . . . . . . 38 ASP HB2 . 11431 1 433 . 1 1 38 38 ASP HB3 H 1 2.79 . . . . . . . 38 ASP HB3 . 11431 1 434 . 1 1 38 38 ASP C C 13 176.10 . . 1 . . . . 38 ASP C . 11431 1 435 . 1 1 38 38 ASP CA C 13 57.14 . . 1 . . . . 38 ASP CA . 11431 1 436 . 1 1 38 38 ASP CB C 13 39.99 . . 1 . . . . 38 ASP CB . 11431 1 437 . 1 1 38 38 ASP N N 15 123.40 . . 1 . . . . 38 ASP N . 11431 1 438 . 1 1 39 39 THR H H 1 8.53 . . 1 . . . . 39 THR H . 11431 1 439 . 1 1 39 39 THR HA H 1 4.40 . . 1 . . . . 39 THR HA . 11431 1 440 . 1 1 39 39 THR HB H 1 3.78 . . 1 . . . . 39 THR HB . 11431 1 441 . 1 1 39 39 THR HG21 H 1 1.18 . . 1 . . . . 39 THR MG . 11431 1 442 . 1 1 39 39 THR HG22 H 1 1.18 . . 1 . . . . 39 THR MG . 11431 1 443 . 1 1 39 39 THR HG23 H 1 1.18 . . 1 . . . . 39 THR MG . 11431 1 444 . 1 1 39 39 THR C C 13 178.53 . . 1 . . . . 39 THR C . 11431 1 445 . 1 1 39 39 THR CA C 13 67.68 . . 1 . . . . 39 THR CA . 11431 1 446 . 1 1 39 39 THR CG2 C 13 20.87 . . 1 . . . . 39 THR CG2 . 11431 1 447 . 1 1 39 39 THR N N 15 120.74 . . 1 . . . . 39 THR N . 11431 1 448 . 1 1 40 40 ALA H H 1 7.83 . . 1 . . . . 40 ALA H . 11431 1 449 . 1 1 40 40 ALA HA H 1 4.14 . . 1 . . . . 40 ALA HA . 11431 1 450 . 1 1 40 40 ALA HB1 H 1 1.60 . . 1 . . . . 40 ALA MB . 11431 1 451 . 1 1 40 40 ALA HB2 H 1 1.60 . . 1 . . . . 40 ALA MB . 11431 1 452 . 1 1 40 40 ALA HB3 H 1 1.60 . . 1 . . . . 40 ALA MB . 11431 1 453 . 1 1 40 40 ALA C C 13 174.13 . . 1 . . . . 40 ALA C . 11431 1 454 . 1 1 40 40 ALA CA C 13 55.63 . . 1 . . . . 40 ALA CA . 11431 1 455 . 1 1 40 40 ALA CB C 13 17.89 . . 1 . . . . 40 ALA CB . 11431 1 456 . 1 1 40 40 ALA N N 15 123.63 . . 1 . . . . 40 ALA N . 11431 1 457 . 1 1 41 41 LYS H H 1 7.96 . . 1 . . . . 41 LYS H . 11431 1 458 . 1 1 41 41 LYS HA H 1 4.11 . . 1 . . . . 41 LYS HA . 11431 1 459 . 1 1 41 41 LYS HB2 H 1 1.99 . . . . . . . 41 LYS HB2 . 11431 1 460 . 1 1 41 41 LYS HD2 H 1 1.70 . . 2 . . . . 41 LYS HD2 . 11431 1 461 . 1 1 41 41 LYS HD3 H 1 1.70 . . 2 . . . . 41 LYS HD3 . 11431 1 462 . 1 1 41 41 LYS HE2 H 1 2.98 . . 2 . . . . 41 LYS HE2 . 11431 1 463 . 1 1 41 41 LYS HE3 H 1 2.98 . . 2 . . . . 41 LYS HE3 . 11431 1 464 . 1 1 41 41 LYS HG2 H 1 1.55 . . 2 . . . . 41 LYS HG2 . 11431 1 465 . 1 1 41 41 LYS HG3 H 1 1.55 . . 2 . . . . 41 LYS HG3 . 11431 1 466 . 1 1 41 41 LYS C C 13 180.13 . . 1 . . . . 41 LYS C . 11431 1 467 . 1 1 41 41 LYS CA C 13 59.52 . . 1 . . . . 41 LYS CA . 11431 1 468 . 1 1 41 41 LYS CB C 13 32.80 . . 1 . . . . 41 LYS CB . 11431 1 469 . 1 1 41 41 LYS CD C 13 29.44 . . 1 . . . . 41 LYS CD . 11431 1 470 . 1 1 41 41 LYS CE C 13 41.80 . . 1 . . . . 41 LYS CE . 11431 1 471 . 1 1 41 41 LYS CG C 13 24.92 . . 1 . . . . 41 LYS CG . 11431 1 472 . 1 1 41 41 LYS N N 15 119.71 . . 1 . . . . 41 LYS N . 11431 1 473 . 1 1 42 42 LYS H H 1 8.02 . . 1 . . . . 42 LYS H . 11431 1 474 . 1 1 42 42 LYS HA H 1 4.24 . . 1 . . . . 42 LYS HA . 11431 1 475 . 1 1 42 42 LYS HB2 H 1 1.98 . . . . . . . 42 LYS HB2 . 11431 1 476 . 1 1 42 42 LYS HD2 H 1 1.69 . . 2 . . . . 42 LYS HD2 . 11431 1 477 . 1 1 42 42 LYS HD3 H 1 1.69 . . 2 . . . . 42 LYS HD3 . 11431 1 478 . 1 1 42 42 LYS HE2 H 1 2.99 . . 2 . . . . 42 LYS HE2 . 11431 1 479 . 1 1 42 42 LYS HE3 H 1 2.99 . . 2 . . . . 42 LYS HE3 . 11431 1 480 . 1 1 42 42 LYS HG2 H 1 1.46 . . 2 . . . . 42 LYS HG2 . 11431 1 481 . 1 1 42 42 LYS HG3 H 1 1.46 . . 2 . . . . 42 LYS HG3 . 11431 1 482 . 1 1 42 42 LYS C C 13 178.21 . . 1 . . . . 42 LYS C . 11431 1 483 . 1 1 42 42 LYS CA C 13 58.50 . . 1 . . . . 42 LYS CA . 11431 1 484 . 1 1 42 42 LYS CB C 13 31.76 . . 1 . . . . 42 LYS CB . 11431 1 485 . 1 1 42 42 LYS CD C 13 28.29 . . 1 . . . . 42 LYS CD . 11431 1 486 . 1 1 42 42 LYS CG C 13 24.89 . . 1 . . . . 42 LYS CG . 11431 1 487 . 1 1 42 42 LYS N N 15 120.84 . . 1 . . . . 42 LYS N . 11431 1 488 . 1 1 43 43 LEU H H 1 8.47 . . 1 . . . . 43 LEU H . 11431 1 489 . 1 1 43 43 LEU HA H 1 4.31 . . 1 . . . . 43 LEU HA . 11431 1 490 . 1 1 43 43 LEU HB2 H 1 1.87 . . . . . . . 43 LEU HB2 . 11431 1 491 . 1 1 43 43 LEU HB3 H 1 2.12 . . . . . . . 43 LEU HB3 . 11431 1 492 . 1 1 43 43 LEU HD11 H 1 0.85 . . . . . . . 43 LEU MD1 . 11431 1 493 . 1 1 43 43 LEU HD12 H 1 0.85 . . . . . . . 43 LEU MD1 . 11431 1 494 . 1 1 43 43 LEU HD13 H 1 0.85 . . . . . . . 43 LEU MD1 . 11431 1 495 . 1 1 43 43 LEU HD21 H 1 0.78 . . . . . . . 43 LEU MD2 . 11431 1 496 . 1 1 43 43 LEU HD22 H 1 0.78 . . . . . . . 43 LEU MD2 . 11431 1 497 . 1 1 43 43 LEU HD23 H 1 0.78 . . . . . . . 43 LEU MD2 . 11431 1 498 . 1 1 43 43 LEU HG H 1 1.60 . . 1 . . . . 43 LEU HG . 11431 1 499 . 1 1 43 43 LEU C C 13 177.89 . . 1 . . . . 43 LEU C . 11431 1 500 . 1 1 43 43 LEU CA C 13 58.56 . . 1 . . . . 43 LEU CA . 11431 1 501 . 1 1 43 43 LEU CB C 13 41.52 . . 1 . . . . 43 LEU CB . 11431 1 502 . 1 1 43 43 LEU CD1 C 13 24.58 . . . . . . . 43 LEU CD1 . 11431 1 503 . 1 1 43 43 LEU CD2 C 13 26.39 . . . . . . . 43 LEU CD2 . 11431 1 504 . 1 1 43 43 LEU N N 15 119.74 . . 1 . . . . 43 LEU N . 11431 1 505 . 1 1 44 44 GLY H H 1 8.21 . . 1 . . . . 44 GLY H . 11431 1 506 . 1 1 44 44 GLY HA2 H 1 3.92 . . . . . . . 44 GLY HA2 . 11431 1 507 . 1 1 44 44 GLY HA3 H 1 4.07 . . . . . . . 44 GLY HA3 . 11431 1 508 . 1 1 44 44 GLY C C 13 178.80 . . 1 . . . . 44 GLY C . 11431 1 509 . 1 1 44 44 GLY CA C 13 47.61 . . 1 . . . . 44 GLY CA . 11431 1 510 . 1 1 44 44 GLY N N 15 105.58 . . 1 . . . . 44 GLY N . 11431 1 511 . 1 1 45 45 GLU H H 1 8.16 . . 1 . . . . 45 GLU H . 11431 1 512 . 1 1 45 45 GLU HA H 1 4.07 . . 1 . . . . 45 GLU HA . 11431 1 513 . 1 1 45 45 GLU HB2 H 1 2.11 . . . . . . . 45 GLU HB2 . 11431 1 514 . 1 1 45 45 GLU HB3 H 1 2.35 . . . . . . . 45 GLU HB3 . 11431 1 515 . 1 1 45 45 GLU HG2 H 1 2.25 . . . . . . . 45 GLU HG2 . 11431 1 516 . 1 1 45 45 GLU HG3 H 1 2.50 . . . . . . . 45 GLU HG3 . 11431 1 517 . 1 1 45 45 GLU C C 13 176.00 . . 1 . . . . 45 GLU C . 11431 1 518 . 1 1 45 45 GLU CA C 13 59.21 . . 1 . . . . 45 GLU CA . 11431 1 519 . 1 1 45 45 GLU CB C 13 29.24 . . 1 . . . . 45 GLU CB . 11431 1 520 . 1 1 45 45 GLU CG C 13 36.36 . . 1 . . . . 45 GLU CG . 11431 1 521 . 1 1 45 45 GLU N N 15 124.20 . . 1 . . . . 45 GLU N . 11431 1 522 . 1 1 46 46 MET H H 1 8.83 . . 1 . . . . 46 MET H . 11431 1 523 . 1 1 46 46 MET HA H 1 4.11 . . 1 . . . . 46 MET HA . 11431 1 524 . 1 1 46 46 MET HB2 H 1 2.38 . . . . . . . 46 MET HB2 . 11431 1 525 . 1 1 46 46 MET HB3 H 1 2.43 . . . . . . . 46 MET HB3 . 11431 1 526 . 1 1 46 46 MET HG2 H 1 2.86 . . . . . . . 46 MET HG2 . 11431 1 527 . 1 1 46 46 MET HG3 H 1 2.61 . . . . . . . 46 MET HG3 . 11431 1 528 . 1 1 46 46 MET C C 13 178.45 . . 1 . . . . 46 MET C . 11431 1 529 . 1 1 46 46 MET CA C 13 59.30 . . 1 . . . . 46 MET CA . 11431 1 530 . 1 1 46 46 MET CB C 13 34.17 . . 1 . . . . 46 MET CB . 11431 1 531 . 1 1 46 46 MET N N 15 119.35 . . 1 . . . . 46 MET N . 11431 1 532 . 1 1 47 47 TRP H H 1 8.55 . . 1 . . . . 47 TRP H . 11431 1 533 . 1 1 47 47 TRP HA H 1 3.86 . . 1 . . . . 47 TRP HA . 11431 1 534 . 1 1 47 47 TRP HB2 H 1 3.20 . . . . . . . 47 TRP HB2 . 11431 1 535 . 1 1 47 47 TRP HD1 H 1 6.84 . . 1 . . . . 47 TRP HD1 . 11431 1 536 . 1 1 47 47 TRP HE1 H 1 10.06 . . 1 . . . . 47 TRP HE1 . 11431 1 537 . 1 1 47 47 TRP HE3 H 1 5.59 . . 1 . . . . 47 TRP HE3 . 11431 1 538 . 1 1 47 47 TRP HH2 H 1 7.07 . . 1 . . . . 47 TRP HH2 . 11431 1 539 . 1 1 47 47 TRP HZ2 H 1 7.53 . . 1 . . . . 47 TRP HZ2 . 11431 1 540 . 1 1 47 47 TRP HZ3 H 1 6.51 . . 1 . . . . 47 TRP HZ3 . 11431 1 541 . 1 1 47 47 TRP C C 13 178.55 . . 1 . . . . 47 TRP C . 11431 1 542 . 1 1 47 47 TRP CA C 13 59.47 . . 1 . . . . 47 TRP CA . 11431 1 543 . 1 1 47 47 TRP CB C 13 30.88 . . 1 . . . . 47 TRP CB . 11431 1 544 . 1 1 47 47 TRP N N 15 120.60 . . 1 . . . . 47 TRP N . 11431 1 545 . 1 1 48 48 SER H H 1 7.83 . . 1 . . . . 48 SER H . 11431 1 546 . 1 1 48 48 SER HA H 1 4.03 . . 1 . . . . 48 SER HA . 11431 1 547 . 1 1 48 48 SER HB2 H 1 3.97 . . . . . . . 48 SER HB2 . 11431 1 548 . 1 1 48 48 SER C C 13 177.11 . . 1 . . . . 48 SER C . 11431 1 549 . 1 1 48 48 SER CA C 13 61.03 . . 1 . . . . 48 SER CA . 11431 1 550 . 1 1 48 48 SER CB C 13 63.00 . . 1 . . . . 48 SER CB . 11431 1 551 . 1 1 48 48 SER N N 15 113.17 . . 1 . . . . 48 SER N . 11431 1 552 . 1 1 49 49 GLU H H 1 7.35 . . 1 . . . . 49 GLU H . 11431 1 553 . 1 1 49 49 GLU HA H 1 4.18 . . 1 . . . . 49 GLU HA . 11431 1 554 . 1 1 49 49 GLU HB2 H 1 2.04 . . . . . . . 49 GLU HB2 . 11431 1 555 . 1 1 49 49 GLU HB3 H 1 2.12 . . . . . . . 49 GLU HB3 . 11431 1 556 . 1 1 49 49 GLU HG2 H 1 2.31 . . . . . . . 49 GLU HG2 . 11431 1 557 . 1 1 49 49 GLU HG3 H 1 2.41 . . . . . . . 49 GLU HG3 . 11431 1 558 . 1 1 49 49 GLU C C 13 174.29 . . 1 . . . . 49 GLU C . 11431 1 559 . 1 1 49 49 GLU CA C 13 56.10 . . 1 . . . . 49 GLU CA . 11431 1 560 . 1 1 49 49 GLU CB C 13 30.19 . . 1 . . . . 49 GLU CB . 11431 1 561 . 1 1 49 49 GLU CG C 13 36.07 . . 1 . . . . 49 GLU CG . 11431 1 562 . 1 1 49 49 GLU N N 15 118.06 . . 1 . . . . 49 GLU N . 11431 1 563 . 1 1 50 50 GLN H H 1 7.14 . . 1 . . . . 50 GLN H . 11431 1 564 . 1 1 50 50 GLN HA H 1 4.23 . . 1 . . . . 50 GLN HA . 11431 1 565 . 1 1 50 50 GLN HB2 H 1 1.54 . . . . . . . 50 GLN HB2 . 11431 1 566 . 1 1 50 50 GLN HB3 H 1 1.88 . . . . . . . 50 GLN HB3 . 11431 1 567 . 1 1 50 50 GLN HE21 H 1 16.88 . . . . . . . 50 GLN HE21 . 11431 1 568 . 1 1 50 50 GLN HE22 H 1 26.58 . . . . . . . 50 GLN HE22 . 11431 1 569 . 1 1 50 50 GLN HG2 H 1 2.00 . . . . . . . 50 GLN HG2 . 11431 1 570 . 1 1 50 50 GLN HG3 H 1 2.67 . . . . . . . 50 GLN HG3 . 11431 1 571 . 1 1 50 50 GLN C C 13 175.69 . . 1 . . . . 50 GLN C . 11431 1 572 . 1 1 50 50 GLN CA C 13 55.17 . . 1 . . . . 50 GLN CA . 11431 1 573 . 1 1 50 50 GLN CB C 13 29.62 . . 1 . . . . 50 GLN CB . 11431 1 574 . 1 1 50 50 GLN CG C 13 33.80 . . 1 . . . . 50 GLN CG . 11431 1 575 . 1 1 50 50 GLN N N 15 119.55 . . 1 . . . . 50 GLN N . 11431 1 576 . 1 1 51 51 SER H H 1 9.32 . . 1 . . . . 51 SER H . 11431 1 577 . 1 1 51 51 SER HA H 1 4.31 . . 1 . . . . 51 SER HA . 11431 1 578 . 1 1 51 51 SER HB2 H 1 4.07 . . . . . . . 51 SER HB2 . 11431 1 579 . 1 1 51 51 SER C C 13 175.38 . . 1 . . . . 51 SER C . 11431 1 580 . 1 1 51 51 SER CA C 13 57.45 . . 1 . . . . 51 SER CA . 11431 1 581 . 1 1 51 51 SER CB C 13 64.94 . . 1 . . . . 51 SER CB . 11431 1 582 . 1 1 51 51 SER N N 15 121.13 . . 1 . . . . 51 SER N . 11431 1 583 . 1 1 52 52 ALA H H 1 8.81 . . 1 . . . . 52 ALA H . 11431 1 584 . 1 1 52 52 ALA HA H 1 3.90 . . 1 . . . . 52 ALA HA . 11431 1 585 . 1 1 52 52 ALA HB1 H 1 1.43 . . 1 . . . . 52 ALA MB . 11431 1 586 . 1 1 52 52 ALA HB2 H 1 1.43 . . 1 . . . . 52 ALA MB . 11431 1 587 . 1 1 52 52 ALA HB3 H 1 1.43 . . 1 . . . . 52 ALA MB . 11431 1 588 . 1 1 52 52 ALA C C 13 173.43 . . 1 . . . . 52 ALA C . 11431 1 589 . 1 1 52 52 ALA CA C 13 55.85 . . 1 . . . . 52 ALA CA . 11431 1 590 . 1 1 52 52 ALA CB C 13 17.78 . . 1 . . . . 52 ALA CB . 11431 1 591 . 1 1 52 52 ALA N N 15 123.43 . . 1 . . . . 52 ALA N . 11431 1 592 . 1 1 53 53 LYS H H 1 8.19 . . 1 . . . . 53 LYS H . 11431 1 593 . 1 1 53 53 LYS HA H 1 4.07 . . 1 . . . . 53 LYS HA . 11431 1 594 . 1 1 53 53 LYS HB2 H 1 1.71 . . . . . . . 53 LYS HB2 . 11431 1 595 . 1 1 53 53 LYS HB3 H 1 1.85 . . . . . . . 53 LYS HB3 . 11431 1 596 . 1 1 53 53 LYS HD2 H 1 1.63 . . 2 . . . . 53 LYS HD2 . 11431 1 597 . 1 1 53 53 LYS HD3 H 1 1.63 . . 2 . . . . 53 LYS HD3 . 11431 1 598 . 1 1 53 53 LYS HE2 H 1 2.98 . . 2 . . . . 53 LYS HE2 . 11431 1 599 . 1 1 53 53 LYS HE3 H 1 2.98 . . 2 . . . . 53 LYS HE3 . 11431 1 600 . 1 1 53 53 LYS HG2 H 1 1.43 . . 2 . . . . 53 LYS HG2 . 11431 1 601 . 1 1 53 53 LYS HG3 H 1 1.43 . . 2 . . . . 53 LYS HG3 . 11431 1 602 . 1 1 53 53 LYS C C 13 180.07 . . 1 . . . . 53 LYS C . 11431 1 603 . 1 1 53 53 LYS CA C 13 59.09 . . 1 . . . . 53 LYS CA . 11431 1 604 . 1 1 53 53 LYS CB C 13 32.18 . . 1 . . . . 53 LYS CB . 11431 1 605 . 1 1 53 53 LYS CD C 13 29.32 . . 1 . . . . 53 LYS CD . 11431 1 606 . 1 1 53 53 LYS CE C 13 41.87 . . 1 . . . . 53 LYS CE . 11431 1 607 . 1 1 53 53 LYS CG C 13 24.61 . . 1 . . . . 53 LYS CG . 11431 1 608 . 1 1 53 53 LYS N N 15 117.61 . . 1 . . . . 53 LYS N . 11431 1 609 . 1 1 54 54 ASP H H 1 7.66 . . 1 . . . . 54 ASP H . 11431 1 610 . 1 1 54 54 ASP HA H 1 4.64 . . 1 . . . . 54 ASP HA . 11431 1 611 . 1 1 54 54 ASP HB2 H 1 2.84 . . . . . . . 54 ASP HB2 . 11431 1 612 . 1 1 54 54 ASP HB3 H 1 3.05 . . . . . . . 54 ASP HB3 . 11431 1 613 . 1 1 54 54 ASP C C 13 177.53 . . 1 . . . . 54 ASP C . 11431 1 614 . 1 1 54 54 ASP CA C 13 56.54 . . 1 . . . . 54 ASP CA . 11431 1 615 . 1 1 54 54 ASP CB C 13 40.54 . . 1 . . . . 54 ASP CB . 11431 1 616 . 1 1 54 54 ASP N N 15 120.33 . . 1 . . . . 54 ASP N . 11431 1 617 . 1 1 55 55 LYS H H 1 7.96 . . 1 . . . . 55 LYS H . 11431 1 618 . 1 1 55 55 LYS HA H 1 4.34 . . 1 . . . . 55 LYS HA . 11431 1 619 . 1 1 55 55 LYS HB2 H 1 1.66 . . . . . . . 55 LYS HB2 . 11431 1 620 . 1 1 55 55 LYS HB3 H 1 1.70 . . . . . . . 55 LYS HB3 . 11431 1 621 . 1 1 55 55 LYS HD2 H 1 2.99 . . 2 . . . . 55 LYS HD2 . 11431 1 622 . 1 1 55 55 LYS HD3 H 1 2.99 . . 2 . . . . 55 LYS HD3 . 11431 1 623 . 1 1 55 55 LYS HG2 H 1 0.87 . . . . . . . 55 LYS HG2 . 11431 1 624 . 1 1 55 55 LYS HG3 H 1 1.11 . . . . . . . 55 LYS HG3 . 11431 1 625 . 1 1 55 55 LYS C C 13 177.76 . . 1 . . . . 55 LYS C . 11431 1 626 . 1 1 55 55 LYS CA C 13 59.29 . . 1 . . . . 55 LYS CA . 11431 1 627 . 1 1 55 55 LYS CB C 13 33.91 . . 1 . . . . 55 LYS CB . 11431 1 628 . 1 1 55 55 LYS N N 15 117.35 . . 1 . . . . 55 LYS N . 11431 1 629 . 1 1 56 56 GLN H H 1 7.55 . . 1 . . . . 56 GLN H . 11431 1 630 . 1 1 56 56 GLN HA H 1 4.36 . . 1 . . . . 56 GLN HA . 11431 1 631 . 1 1 56 56 GLN HB2 H 1 2.34 . . . . . . . 56 GLN HB2 . 11431 1 632 . 1 1 56 56 GLN HE21 H 1 7.55 . . . . . . . 56 GLN HE21 . 11431 1 633 . 1 1 56 56 GLN HE22 H 1 6.86 . . . . . . . 56 GLN HE22 . 11431 1 634 . 1 1 56 56 GLN HG2 H 1 2.45 . . . . . . . 56 GLN HG2 . 11431 1 635 . 1 1 56 56 GLN HG3 H 1 2.63 . . . . . . . 56 GLN HG3 . 11431 1 636 . 1 1 56 56 GLN C C 13 177.60 . . 1 . . . . 56 GLN C . 11431 1 637 . 1 1 56 56 GLN CA C 13 60.96 . . 1 . . . . 56 GLN CA . 11431 1 638 . 1 1 56 56 GLN CB C 13 26.79 . . 1 . . . . 56 GLN CB . 11431 1 639 . 1 1 56 56 GLN CG C 13 33.97 . . 1 . . . . 56 GLN CG . 11431 1 640 . 1 1 56 56 GLN N N 15 119.28 . . 1 . . . . 56 GLN N . 11431 1 641 . 1 1 57 57 PRO HA H 1 4.35 . . 1 . . . . 57 PRO HA . 11431 1 642 . 1 1 57 57 PRO HB2 H 1 1.37 . . . . . . . 57 PRO HB2 . 11431 1 643 . 1 1 57 57 PRO HB3 H 1 2.25 . . . . . . . 57 PRO HB3 . 11431 1 644 . 1 1 57 57 PRO HD2 H 1 3.85 . . 2 . . . . 57 PRO HD2 . 11431 1 645 . 1 1 57 57 PRO HD3 H 1 3.85 . . 2 . . . . 57 PRO HD3 . 11431 1 646 . 1 1 57 57 PRO HG2 H 1 2.04 . . 2 . . . . 57 PRO HG2 . 11431 1 647 . 1 1 57 57 PRO HG3 H 1 2.04 . . 2 . . . . 57 PRO HG3 . 11431 1 648 . 1 1 57 57 PRO CA C 13 66.31 . . 1 . . . . 57 PRO CA . 11431 1 649 . 1 1 57 57 PRO CB C 13 31.15 . . 1 . . . . 57 PRO CB . 11431 1 650 . 1 1 57 57 PRO CD C 13 50.24 . . 1 . . . . 57 PRO CD . 11431 1 651 . 1 1 57 57 PRO CG C 13 28.69 . . 1 . . . . 57 PRO CG . 11431 1 652 . 1 1 58 58 TYR H H 1 7.19 . . 1 . . . . 58 TYR H . 11431 1 653 . 1 1 58 58 TYR HA H 1 4.26 . . 1 . . . . 58 TYR HA . 11431 1 654 . 1 1 58 58 TYR HB2 H 1 3.17 . . . . . . . 58 TYR HB2 . 11431 1 655 . 1 1 58 58 TYR HB3 H 1 3.31 . . . . . . . 58 TYR HB3 . 11431 1 656 . 1 1 58 58 TYR HD1 H 1 7.49 . . 3 . . . . 58 TYR HD1 . 11431 1 657 . 1 1 58 58 TYR HD2 H 1 7.49 . . 3 . . . . 58 TYR HD2 . 11431 1 658 . 1 1 58 58 TYR HE1 H 1 7.27 . . 3 . . . . 58 TYR HE1 . 11431 1 659 . 1 1 58 58 TYR HE2 H 1 7.27 . . 3 . . . . 58 TYR HE2 . 11431 1 660 . 1 1 58 58 TYR C C 13 179.03 . . 1 . . . . 58 TYR C . 11431 1 661 . 1 1 58 58 TYR CA C 13 61.66 . . 1 . . . . 58 TYR CA . 11431 1 662 . 1 1 58 58 TYR CB C 13 38.41 . . 1 . . . . 58 TYR CB . 11431 1 663 . 1 1 58 58 TYR N N 15 115.89 . . 1 . . . . 58 TYR N . 11431 1 664 . 1 1 59 59 GLU H H 1 8.20 . . 1 . . . . 59 GLU H . 11431 1 665 . 1 1 59 59 GLU HA H 1 4.27 . . 1 . . . . 59 GLU HA . 11431 1 666 . 1 1 59 59 GLU HB2 H 1 2.12 . . . . . . . 59 GLU HB2 . 11431 1 667 . 1 1 59 59 GLU HB3 H 1 2.36 . . . . . . . 59 GLU HB3 . 11431 1 668 . 1 1 59 59 GLU HG2 H 1 2.37 . . . . . . . 59 GLU HG2 . 11431 1 669 . 1 1 59 59 GLU HG3 H 1 2.55 . . . . . . . 59 GLU HG3 . 11431 1 670 . 1 1 59 59 GLU C C 13 177.10 . . 1 . . . . 59 GLU C . 11431 1 671 . 1 1 59 59 GLU CA C 13 59.43 . . 1 . . . . 59 GLU CA . 11431 1 672 . 1 1 59 59 GLU CB C 13 29.35 . . 1 . . . . 59 GLU CB . 11431 1 673 . 1 1 59 59 GLU CG C 13 36.01 . . 1 . . . . 59 GLU CG . 11431 1 674 . 1 1 59 59 GLU N N 15 119.49 . . 1 . . . . 59 GLU N . 11431 1 675 . 1 1 60 60 GLN H H 1 9.18 . . 1 . . . . 60 GLN H . 11431 1 676 . 1 1 60 60 GLN HA H 1 4.20 . . 1 . . . . 60 GLN HA . 11431 1 677 . 1 1 60 60 GLN HB2 H 1 2.09 . . . . . . . 60 GLN HB2 . 11431 1 678 . 1 1 60 60 GLN HB3 H 1 2.21 . . . . . . . 60 GLN HB3 . 11431 1 679 . 1 1 60 60 GLN HE21 H 1 7.55 . . . . . . . 60 GLN HE21 . 11431 1 680 . 1 1 60 60 GLN HE22 H 1 6.86 . . . . . . . 60 GLN HE22 . 11431 1 681 . 1 1 60 60 GLN HG2 H 1 2.44 . . . . . . . 60 GLN HG2 . 11431 1 682 . 1 1 60 60 GLN HG3 H 1 2.60 . . . . . . . 60 GLN HG3 . 11431 1 683 . 1 1 60 60 GLN C C 13 179.48 . . 1 . . . . 60 GLN C . 11431 1 684 . 1 1 60 60 GLN CA C 13 58.99 . . 1 . . . . 60 GLN CA . 11431 1 685 . 1 1 60 60 GLN CB C 13 28.26 . . 1 . . . . 60 GLN CB . 11431 1 686 . 1 1 60 60 GLN CG C 13 34.18 . . 1 . . . . 60 GLN CG . 11431 1 687 . 1 1 60 60 GLN N N 15 120.43 . . 1 . . . . 60 GLN N . 11431 1 688 . 1 1 61 61 LYS H H 1 7.81 . . 1 . . . . 61 LYS H . 11431 1 689 . 1 1 61 61 LYS HA H 1 4.11 . . 1 . . . . 61 LYS HA . 11431 1 690 . 1 1 61 61 LYS HB2 H 1 1.99 . . . . . . . 61 LYS HB2 . 11431 1 691 . 1 1 61 61 LYS HD2 H 1 1.71 . . 2 . . . . 61 LYS HD2 . 11431 1 692 . 1 1 61 61 LYS HD3 H 1 1.71 . . 2 . . . . 61 LYS HD3 . 11431 1 693 . 1 1 61 61 LYS HE2 H 1 2.93 . . 2 . . . . 61 LYS HE2 . 11431 1 694 . 1 1 61 61 LYS HE3 H 1 2.93 . . 2 . . . . 61 LYS HE3 . 11431 1 695 . 1 1 61 61 LYS HG2 H 1 1.46 . . 2 . . . . 61 LYS HG2 . 11431 1 696 . 1 1 61 61 LYS HG3 H 1 1.46 . . 2 . . . . 61 LYS HG3 . 11431 1 697 . 1 1 61 61 LYS C C 13 177.96 . . 1 . . . . 61 LYS C . 11431 1 698 . 1 1 61 61 LYS CA C 13 59.76 . . 1 . . . . 61 LYS CA . 11431 1 699 . 1 1 61 61 LYS CB C 13 32.72 . . 1 . . . . 61 LYS CB . 11431 1 700 . 1 1 61 61 LYS CD C 13 29.39 . . 1 . . . . 61 LYS CD . 11431 1 701 . 1 1 61 61 LYS CE C 13 41.87 . . 1 . . . . 61 LYS CE . 11431 1 702 . 1 1 61 61 LYS CG C 13 25.32 . . 1 . . . . 61 LYS CG . 11431 1 703 . 1 1 61 61 LYS N N 15 120.72 . . 1 . . . . 61 LYS N . 11431 1 704 . 1 1 62 62 ALA H H 1 8.39 . . 1 . . . . 62 ALA H . 11431 1 705 . 1 1 62 62 ALA HA H 1 4.01 . . 1 . . . . 62 ALA HA . 11431 1 706 . 1 1 62 62 ALA HB1 H 1 1.64 . . 1 . . . . 62 ALA MB . 11431 1 707 . 1 1 62 62 ALA HB2 H 1 1.64 . . 1 . . . . 62 ALA MB . 11431 1 708 . 1 1 62 62 ALA HB3 H 1 1.64 . . 1 . . . . 62 ALA MB . 11431 1 709 . 1 1 62 62 ALA C C 13 177.95 . . 1 . . . . 62 ALA C . 11431 1 710 . 1 1 62 62 ALA CA C 13 55.82 . . 1 . . . . 62 ALA CA . 11431 1 711 . 1 1 62 62 ALA CB C 13 17.88 . . 1 . . . . 62 ALA CB . 11431 1 712 . 1 1 62 62 ALA N N 15 120.84 . . 1 . . . . 62 ALA N . 11431 1 713 . 1 1 63 63 ALA H H 1 8.32 . . 1 . . . . 63 ALA H . 11431 1 714 . 1 1 63 63 ALA HA H 1 4.27 . . 1 . . . . 63 ALA HA . 11431 1 715 . 1 1 63 63 ALA HB1 H 1 1.64 . . 1 . . . . 63 ALA MB . 11431 1 716 . 1 1 63 63 ALA HB2 H 1 1.64 . . 1 . . . . 63 ALA MB . 11431 1 717 . 1 1 63 63 ALA HB3 H 1 1.64 . . 1 . . . . 63 ALA MB . 11431 1 718 . 1 1 63 63 ALA C C 13 177.95 . . 1 . . . . 63 ALA C . 11431 1 719 . 1 1 63 63 ALA CA C 13 55.51 . . 1 . . . . 63 ALA CA . 11431 1 720 . 1 1 63 63 ALA CB C 13 17.97 . . 1 . . . . 63 ALA CB . 11431 1 721 . 1 1 63 63 ALA N N 15 122.13 . . 1 . . . . 63 ALA N . 11431 1 722 . 1 1 64 64 LYS H H 1 8.00 . . 1 . . . . 64 LYS H . 11431 1 723 . 1 1 64 64 LYS HA H 1 4.24 . . 1 . . . . 64 LYS HA . 11431 1 724 . 1 1 64 64 LYS HB2 H 1 1.99 . . . . . . . 64 LYS HB2 . 11431 1 725 . 1 1 64 64 LYS HB3 H 1 2.09 . . . . . . . 64 LYS HB3 . 11431 1 726 . 1 1 64 64 LYS HD2 H 1 1.72 . . 2 . . . . 64 LYS HD2 . 11431 1 727 . 1 1 64 64 LYS HD3 H 1 1.72 . . 2 . . . . 64 LYS HD3 . 11431 1 728 . 1 1 64 64 LYS HE2 H 1 2.97 . . 2 . . . . 64 LYS HE2 . 11431 1 729 . 1 1 64 64 LYS HE3 H 1 2.97 . . 2 . . . . 64 LYS HE3 . 11431 1 730 . 1 1 64 64 LYS HG2 H 1 1.45 . . 2 . . . . 64 LYS HG2 . 11431 1 731 . 1 1 64 64 LYS HG3 H 1 1.45 . . 2 . . . . 64 LYS HG3 . 11431 1 732 . 1 1 64 64 LYS C C 13 179.80 . . 1 . . . . 64 LYS C . 11431 1 733 . 1 1 64 64 LYS CA C 13 58.89 . . 1 . . . . 64 LYS CA . 11431 1 734 . 1 1 64 64 LYS CB C 13 31.90 . . 1 . . . . 64 LYS CB . 11431 1 735 . 1 1 64 64 LYS CD C 13 28.29 . . 1 . . . . 64 LYS CD . 11431 1 736 . 1 1 64 64 LYS CE C 13 41.45 . . 1 . . . . 64 LYS CE . 11431 1 737 . 1 1 64 64 LYS CG C 13 24.89 . . 1 . . . . 64 LYS CG . 11431 1 738 . 1 1 64 64 LYS N N 15 120.34 . . 1 . . . . 64 LYS N . 11431 1 739 . 1 1 65 65 LEU H H 1 8.24 . . 1 . . . . 65 LEU H . 11431 1 740 . 1 1 65 65 LEU HA H 1 4.23 . . 1 . . . . 65 LEU HA . 11431 1 741 . 1 1 65 65 LEU HB2 H 1 1.51 . . . . . . . 65 LEU HB2 . 11431 1 742 . 1 1 65 65 LEU HB3 H 1 2.02 . . . . . . . 65 LEU HB3 . 11431 1 743 . 1 1 65 65 LEU HD11 H 1 0.95 . . . . . . . 65 LEU MD1 . 11431 1 744 . 1 1 65 65 LEU HD12 H 1 0.95 . . . . . . . 65 LEU MD1 . 11431 1 745 . 1 1 65 65 LEU HD13 H 1 0.95 . . . . . . . 65 LEU MD1 . 11431 1 746 . 1 1 65 65 LEU HD21 H 1 0.99 . . . . . . . 65 LEU MD2 . 11431 1 747 . 1 1 65 65 LEU HD22 H 1 0.99 . . . . . . . 65 LEU MD2 . 11431 1 748 . 1 1 65 65 LEU HD23 H 1 0.99 . . . . . . . 65 LEU MD2 . 11431 1 749 . 1 1 65 65 LEU HG H 1 1.68 . . 1 . . . . 65 LEU HG . 11431 1 750 . 1 1 65 65 LEU C C 13 179.40 . . 1 . . . . 65 LEU C . 11431 1 751 . 1 1 65 65 LEU CA C 13 57.74 . . 1 . . . . 65 LEU CA . 11431 1 752 . 1 1 65 65 LEU CB C 13 41.72 . . 1 . . . . 65 LEU CB . 11431 1 753 . 1 1 65 65 LEU CD1 C 13 22.10 . . . . . . . 65 LEU CD1 . 11431 1 754 . 1 1 65 65 LEU CD2 C 13 26.38 . . . . . . . 65 LEU CD2 . 11431 1 755 . 1 1 65 65 LEU CG C 13 26.46 . . 1 . . . . 65 LEU CG . 11431 1 756 . 1 1 65 65 LEU N N 15 120.07 . . 1 . . . . 65 LEU N . 11431 1 757 . 1 1 66 66 LYS H H 1 8.36 . . 1 . . . . 66 LYS H . 11431 1 758 . 1 1 66 66 LYS HA H 1 4.07 . . 1 . . . . 66 LYS HA . 11431 1 759 . 1 1 66 66 LYS HB2 H 1 1.98 . . . . . . . 66 LYS HB2 . 11431 1 760 . 1 1 66 66 LYS HB3 H 1 2.17 . . . . . . . 66 LYS HB3 . 11431 1 761 . 1 1 66 66 LYS HD2 H 1 1.77 . . 2 . . . . 66 LYS HD2 . 11431 1 762 . 1 1 66 66 LYS HD3 H 1 1.77 . . 2 . . . . 66 LYS HD3 . 11431 1 763 . 1 1 66 66 LYS HE2 H 1 3.06 . . 2 . . . . 66 LYS HE2 . 11431 1 764 . 1 1 66 66 LYS HE3 H 1 3.06 . . 2 . . . . 66 LYS HE3 . 11431 1 765 . 1 1 66 66 LYS HG2 H 1 1.51 . . . . . . . 66 LYS HG2 . 11431 1 766 . 1 1 66 66 LYS HG3 H 1 1.72 . . . . . . . 66 LYS HG3 . 11431 1 767 . 1 1 66 66 LYS C C 13 179.16 . . 1 . . . . 66 LYS C . 11431 1 768 . 1 1 66 66 LYS CA C 13 60.09 . . 1 . . . . 66 LYS CA . 11431 1 769 . 1 1 66 66 LYS CB C 13 32.13 . . 1 . . . . 66 LYS CB . 11431 1 770 . 1 1 66 66 LYS CD C 13 29.41 . . 1 . . . . 66 LYS CD . 11431 1 771 . 1 1 66 66 LYS CE C 13 41.86 . . 1 . . . . 66 LYS CE . 11431 1 772 . 1 1 66 66 LYS CG C 13 24.93 . . 1 . . . . 66 LYS CG . 11431 1 773 . 1 1 66 66 LYS N N 15 123.46 . . 1 . . . . 66 LYS N . 11431 1 774 . 1 1 67 67 GLU H H 1 8.08 . . 1 . . . . 67 GLU H . 11431 1 775 . 1 1 67 67 GLU HA H 1 4.14 . . 1 . . . . 67 GLU HA . 11431 1 776 . 1 1 67 67 GLU HB2 H 1 2.24 . . . . . . . 67 GLU HB2 . 11431 1 777 . 1 1 67 67 GLU HG2 H 1 2.26 . . . . . . . 67 GLU HG2 . 11431 1 778 . 1 1 67 67 GLU HG3 H 1 2.46 . . . . . . . 67 GLU HG3 . 11431 1 779 . 1 1 67 67 GLU C C 13 176.38 . . 1 . . . . 67 GLU C . 11431 1 780 . 1 1 67 67 GLU CA C 13 59.43 . . 1 . . . . 67 GLU CA . 11431 1 781 . 1 1 67 67 GLU CB C 13 29.66 . . 1 . . . . 67 GLU CB . 11431 1 782 . 1 1 67 67 GLU CG C 13 36.33 . . 1 . . . . 67 GLU CG . 11431 1 783 . 1 1 67 67 GLU N N 15 119.86 . . 1 . . . . 67 GLU N . 11431 1 784 . 1 1 68 68 LYS H H 1 7.71 . . 1 . . . . 68 LYS H . 11431 1 785 . 1 1 68 68 LYS HA H 1 4.11 . . 1 . . . . 68 LYS HA . 11431 1 786 . 1 1 68 68 LYS HB2 H 1 1.98 . . . . . . . 68 LYS HB2 . 11431 1 787 . 1 1 68 68 LYS HD2 H 1 1.72 . . 2 . . . . 68 LYS HD2 . 11431 1 788 . 1 1 68 68 LYS HD3 H 1 1.72 . . 2 . . . . 68 LYS HD3 . 11431 1 789 . 1 1 68 68 LYS HE2 H 1 2.99 . . 2 . . . . 68 LYS HE2 . 11431 1 790 . 1 1 68 68 LYS HE3 H 1 2.99 . . 2 . . . . 68 LYS HE3 . 11431 1 791 . 1 1 68 68 LYS HG2 H 1 1.44 . . 2 . . . . 68 LYS HG2 . 11431 1 792 . 1 1 68 68 LYS HG3 H 1 1.44 . . 2 . . . . 68 LYS HG3 . 11431 1 793 . 1 1 68 68 LYS C C 13 178.13 . . 1 . . . . 68 LYS C . 11431 1 794 . 1 1 68 68 LYS CA C 13 59.36 . . 1 . . . . 68 LYS CA . 11431 1 795 . 1 1 68 68 LYS CB C 13 32.47 . . 1 . . . . 68 LYS CB . 11431 1 796 . 1 1 68 68 LYS N N 15 119.48 . . 1 . . . . 68 LYS N . 11431 1 797 . 1 1 69 69 TYR H H 1 8.05 . . 1 . . . . 69 TYR H . 11431 1 798 . 1 1 69 69 TYR HA H 1 4.42 . . 1 . . . . 69 TYR HA . 11431 1 799 . 1 1 69 69 TYR HB2 H 1 3.21 . . . . . . . 69 TYR HB2 . 11431 1 800 . 1 1 69 69 TYR HB3 H 1 3.27 . . . . . . . 69 TYR HB3 . 11431 1 801 . 1 1 69 69 TYR HD1 H 1 7.09 . . 3 . . . . 69 TYR HD1 . 11431 1 802 . 1 1 69 69 TYR HD2 H 1 7.09 . . 3 . . . . 69 TYR HD2 . 11431 1 803 . 1 1 69 69 TYR HE1 H 1 6.61 . . 3 . . . . 69 TYR HE1 . 11431 1 804 . 1 1 69 69 TYR HE2 H 1 6.61 . . 3 . . . . 69 TYR HE2 . 11431 1 805 . 1 1 69 69 TYR C C 13 176.59 . . 1 . . . . 69 TYR C . 11431 1 806 . 1 1 69 69 TYR CA C 13 61.22 . . 1 . . . . 69 TYR CA . 11431 1 807 . 1 1 69 69 TYR CB C 13 38.47 . . 1 . . . . 69 TYR CB . 11431 1 808 . 1 1 69 69 TYR N N 15 120.30 . . 1 . . . . 69 TYR N . 11431 1 809 . 1 1 70 70 GLU H H 1 8.45 . . 1 . . . . 70 GLU H . 11431 1 810 . 1 1 70 70 GLU HA H 1 3.77 . . 1 . . . . 70 GLU HA . 11431 1 811 . 1 1 70 70 GLU HB2 H 1 2.02 . . . . . . . 70 GLU HB2 . 11431 1 812 . 1 1 70 70 GLU HB3 H 1 2.18 . . . . . . . 70 GLU HB3 . 11431 1 813 . 1 1 70 70 GLU HG2 H 1 2.44 . . . . . . . 70 GLU HG2 . 11431 1 814 . 1 1 70 70 GLU HG3 H 1 2.71 . . . . . . . 70 GLU HG3 . 11431 1 815 . 1 1 70 70 GLU C C 13 175.70 . . 1 . . . . 70 GLU C . 11431 1 816 . 1 1 70 70 GLU CA C 13 59.23 . . 1 . . . . 70 GLU CA . 11431 1 817 . 1 1 70 70 GLU CB C 13 28.87 . . 1 . . . . 70 GLU CB . 11431 1 818 . 1 1 70 70 GLU CG C 13 37.10 . . 1 . . . . 70 GLU CG . 11431 1 819 . 1 1 70 70 GLU N N 15 117.28 . . 1 . . . . 70 GLU N . 11431 1 820 . 1 1 71 71 LYS H H 1 7.72 . . 1 . . . . 71 LYS H . 11431 1 821 . 1 1 71 71 LYS HA H 1 4.11 . . 1 . . . . 71 LYS HA . 11431 1 822 . 1 1 71 71 LYS HB2 H 1 1.98 . . . . . . . 71 LYS HB2 . 11431 1 823 . 1 1 71 71 LYS HD2 H 1 1.72 . . 2 . . . . 71 LYS HD2 . 11431 1 824 . 1 1 71 71 LYS HD3 H 1 1.72 . . 2 . . . . 71 LYS HD3 . 11431 1 825 . 1 1 71 71 LYS HE2 H 1 2.99 . . 2 . . . . 71 LYS HE2 . 11431 1 826 . 1 1 71 71 LYS HE3 H 1 2.99 . . 2 . . . . 71 LYS HE3 . 11431 1 827 . 1 1 71 71 LYS HG2 H 1 1.44 . . 2 . . . . 71 LYS HG2 . 11431 1 828 . 1 1 71 71 LYS HG3 H 1 1.44 . . 2 . . . . 71 LYS HG3 . 11431 1 829 . 1 1 71 71 LYS C C 13 179.07 . . 1 . . . . 71 LYS C . 11431 1 830 . 1 1 71 71 LYS CA C 13 59.18 . . 1 . . . . 71 LYS CA . 11431 1 831 . 1 1 71 71 LYS CB C 13 32.46 . . 1 . . . . 71 LYS CB . 11431 1 832 . 1 1 71 71 LYS CD C 13 29.20 . . 1 . . . . 71 LYS CD . 11431 1 833 . 1 1 71 71 LYS CE C 13 41.84 . . 1 . . . . 71 LYS CE . 11431 1 834 . 1 1 71 71 LYS CG C 13 25.13 . . 1 . . . . 71 LYS CG . 11431 1 835 . 1 1 71 71 LYS N N 15 120.34 . . 1 . . . . 71 LYS N . 11431 1 836 . 1 1 72 72 ASP H H 1 8.73 . . 1 . . . . 72 ASP H . 11431 1 837 . 1 1 72 72 ASP HA H 1 4.44 . . 1 . . . . 72 ASP HA . 11431 1 838 . 1 1 72 72 ASP HB2 H 1 2.50 . . . . . . . 72 ASP HB2 . 11431 1 839 . 1 1 72 72 ASP HB3 H 1 2.84 . . . . . . . 72 ASP HB3 . 11431 1 840 . 1 1 72 72 ASP C C 13 178.17 . . 1 . . . . 72 ASP C . 11431 1 841 . 1 1 72 72 ASP CA C 13 57.19 . . 1 . . . . 72 ASP CA . 11431 1 842 . 1 1 72 72 ASP CB C 13 39.82 . . 1 . . . . 72 ASP CB . 11431 1 843 . 1 1 72 72 ASP N N 15 122.53 . . 1 . . . . 72 ASP N . 11431 1 844 . 1 1 73 73 ILE H H 1 8.82 . . 1 . . . . 73 ILE H . 11431 1 845 . 1 1 73 73 ILE HA H 1 3.97 . . 1 . . . . 73 ILE HA . 11431 1 846 . 1 1 73 73 ILE HB H 1 1.48 . . 1 . . . . 73 ILE HB . 11431 1 847 . 1 1 73 73 ILE HD11 H 1 0.71 . . 1 . . . . 73 ILE MD . 11431 1 848 . 1 1 73 73 ILE HD12 H 1 0.71 . . 1 . . . . 73 ILE MD . 11431 1 849 . 1 1 73 73 ILE HD13 H 1 0.71 . . 1 . . . . 73 ILE MD . 11431 1 850 . 1 1 73 73 ILE HG12 H 1 1.10 . . 2 . . . . 73 ILE HG12 . 11431 1 851 . 1 1 73 73 ILE HG13 H 1 1.10 . . 2 . . . . 73 ILE HG13 . 11431 1 852 . 1 1 73 73 ILE HG21 H 1 0.73 . . 1 . . . . 73 ILE MG . 11431 1 853 . 1 1 73 73 ILE HG22 H 1 0.73 . . 1 . . . . 73 ILE MG . 11431 1 854 . 1 1 73 73 ILE HG23 H 1 0.73 . . 1 . . . . 73 ILE MG . 11431 1 855 . 1 1 73 73 ILE C C 13 178.92 . . 1 . . . . 73 ILE C . 11431 1 856 . 1 1 73 73 ILE CA C 13 62.17 . . 1 . . . . 73 ILE CA . 11431 1 857 . 1 1 73 73 ILE CB C 13 37.14 . . 1 . . . . 73 ILE CB . 11431 1 858 . 1 1 73 73 ILE CD1 C 13 12.52 . . 1 . . . . 73 ILE CD1 . 11431 1 859 . 1 1 73 73 ILE CG1 C 13 27.68 . . 1 . . . . 73 ILE CG1 . 11431 1 860 . 1 1 73 73 ILE CG2 C 13 17.98 . . 1 . . . . 73 ILE CG2 . 11431 1 861 . 1 1 73 73 ILE N N 15 120.85 . . 1 . . . . 73 ILE N . 11431 1 862 . 1 1 74 74 ALA H H 1 7.33 . . 1 . . . . 74 ALA H . 11431 1 863 . 1 1 74 74 ALA HA H 1 4.16 . . 1 . . . . 74 ALA HA . 11431 1 864 . 1 1 74 74 ALA HB1 H 1 1.50 . . 1 . . . . 74 ALA MB . 11431 1 865 . 1 1 74 74 ALA HB2 H 1 1.50 . . 1 . . . . 74 ALA MB . 11431 1 866 . 1 1 74 74 ALA HB3 H 1 1.50 . . 1 . . . . 74 ALA MB . 11431 1 867 . 1 1 74 74 ALA C C 13 176.47 . . 1 . . . . 74 ALA C . 11431 1 868 . 1 1 74 74 ALA CA C 13 54.55 . . 1 . . . . 74 ALA CA . 11431 1 869 . 1 1 74 74 ALA CB C 13 18.07 . . 1 . . . . 74 ALA CB . 11431 1 870 . 1 1 74 74 ALA N N 15 124.11 . . 1 . . . . 74 ALA N . 11431 1 871 . 1 1 75 75 ALA H H 1 7.59 . . 1 . . . . 75 ALA H . 11431 1 872 . 1 1 75 75 ALA HA H 1 4.25 . . 1 . . . . 75 ALA HA . 11431 1 873 . 1 1 75 75 ALA HB1 H 1 1.48 . . 1 . . . . 75 ALA MB . 11431 1 874 . 1 1 75 75 ALA HB2 H 1 1.48 . . 1 . . . . 75 ALA MB . 11431 1 875 . 1 1 75 75 ALA HB3 H 1 1.48 . . 1 . . . . 75 ALA MB . 11431 1 876 . 1 1 75 75 ALA C C 13 178.58 . . 1 . . . . 75 ALA C . 11431 1 877 . 1 1 75 75 ALA CA C 13 53.59 . . 1 . . . . 75 ALA CA . 11431 1 878 . 1 1 75 75 ALA CB C 13 18.78 . . 1 . . . . 75 ALA CB . 11431 1 879 . 1 1 75 75 ALA N N 15 119.33 . . 1 . . . . 75 ALA N . 11431 1 880 . 1 1 76 76 TYR H H 1 7.88 . . 1 . . . . 76 TYR H . 11431 1 881 . 1 1 76 76 TYR HA H 1 4.30 . . 1 . . . . 76 TYR HA . 11431 1 882 . 1 1 76 76 TYR HB2 H 1 3.07 . . . . . . . 76 TYR HB2 . 11431 1 883 . 1 1 76 76 TYR HB3 H 1 3.15 . . . . . . . 76 TYR HB3 . 11431 1 884 . 1 1 76 76 TYR HD1 H 1 7.12 . . 3 . . . . 76 TYR HD1 . 11431 1 885 . 1 1 76 76 TYR HD2 H 1 7.12 . . 3 . . . . 76 TYR HD2 . 11431 1 886 . 1 1 76 76 TYR HE1 H 1 6.80 . . 3 . . . . 76 TYR HE1 . 11431 1 887 . 1 1 76 76 TYR HE2 H 1 6.80 . . 3 . . . . 76 TYR HE2 . 11431 1 888 . 1 1 76 76 TYR C C 13 177.76 . . 1 . . . . 76 TYR C . 11431 1 889 . 1 1 76 76 TYR CA C 13 59.75 . . 1 . . . . 76 TYR CA . 11431 1 890 . 1 1 76 76 TYR CB C 13 38.84 . . 1 . . . . 76 TYR CB . 11431 1 891 . 1 1 76 76 TYR N N 15 119.63 . . 1 . . . . 76 TYR N . 11431 1 892 . 1 1 77 77 ARG H H 1 7.87 . . 1 . . . . 77 ARG H . 11431 1 893 . 1 1 77 77 ARG HA H 1 4.14 . . 1 . . . . 77 ARG HA . 11431 1 894 . 1 1 77 77 ARG HB2 H 1 1.75 . . . . . . . 77 ARG HB2 . 11431 1 895 . 1 1 77 77 ARG HB3 H 1 1.85 . . . . . . . 77 ARG HB3 . 11431 1 896 . 1 1 77 77 ARG HD2 H 1 3.17 . . 2 . . . . 77 ARG HD2 . 11431 1 897 . 1 1 77 77 ARG HD3 H 1 3.17 . . 2 . . . . 77 ARG HD3 . 11431 1 898 . 1 1 77 77 ARG HG2 H 1 1.65 . . . . . . . 77 ARG HG2 . 11431 1 899 . 1 1 77 77 ARG HG3 H 1 1.75 . . . . . . . 77 ARG HG3 . 11431 1 900 . 1 1 77 77 ARG C C 13 175.38 . . 1 . . . . 77 ARG C . 11431 1 901 . 1 1 77 77 ARG CA C 13 56.19 . . 1 . . . . 77 ARG CA . 11431 1 902 . 1 1 77 77 ARG CB C 13 30.85 . . 1 . . . . 77 ARG CB . 11431 1 903 . 1 1 77 77 ARG CD C 13 43.34 . . 1 . . . . 77 ARG CD . 11431 1 904 . 1 1 77 77 ARG CG C 13 27.32 . . 1 . . . . 77 ARG CG . 11431 1 905 . 1 1 77 77 ARG N N 15 120.82 . . 1 . . . . 77 ARG N . 11431 1 906 . 1 1 78 78 ALA H H 1 7.70 . . 1 . . . . 78 ALA H . 11431 1 907 . 1 1 78 78 ALA HA H 1 4.23 . . 1 . . . . 78 ALA HA . 11431 1 908 . 1 1 78 78 ALA HB1 H 1 1.42 . . 1 . . . . 78 ALA MB . 11431 1 909 . 1 1 78 78 ALA HB2 H 1 1.42 . . 1 . . . . 78 ALA MB . 11431 1 910 . 1 1 78 78 ALA HB3 H 1 1.42 . . 1 . . . . 78 ALA MB . 11431 1 911 . 1 1 78 78 ALA C C 13 174.57 . . 1 . . . . 78 ALA C . 11431 1 912 . 1 1 78 78 ALA CA C 13 52.64 . . 1 . . . . 78 ALA CA . 11431 1 913 . 1 1 78 78 ALA CB C 13 19.27 . . 1 . . . . 78 ALA CB . 11431 1 914 . 1 1 78 78 ALA N N 15 124.21 . . 1 . . . . 78 ALA N . 11431 1 915 . 1 1 79 79 LYS H H 1 7.69 . . 1 . . . . 79 LYS H . 11431 1 916 . 1 1 79 79 LYS HA H 1 4.09 . . 1 . . . . 79 LYS HA . 11431 1 917 . 1 1 79 79 LYS HB2 H 1 1.71 . . . . . . . 79 LYS HB2 . 11431 1 918 . 1 1 79 79 LYS HB3 H 1 1.79 . . . . . . . 79 LYS HB3 . 11431 1 919 . 1 1 79 79 LYS HD2 H 1 1.65 . . 2 . . . . 79 LYS HD2 . 11431 1 920 . 1 1 79 79 LYS HD3 H 1 1.65 . . 2 . . . . 79 LYS HD3 . 11431 1 921 . 1 1 79 79 LYS HE2 H 1 2.97 . . 2 . . . . 79 LYS HE2 . 11431 1 922 . 1 1 79 79 LYS HE3 H 1 2.97 . . 2 . . . . 79 LYS HE3 . 11431 1 923 . 1 1 79 79 LYS HG2 H 1 1.41 . . 2 . . . . 79 LYS HG2 . 11431 1 924 . 1 1 79 79 LYS HG3 H 1 1.41 . . 2 . . . . 79 LYS HG3 . 11431 1 925 . 1 1 79 79 LYS CA C 13 57.81 . . 1 . . . . 79 LYS CA . 11431 1 926 . 1 1 79 79 LYS CB C 13 33.61 . . 1 . . . . 79 LYS CB . 11431 1 927 . 1 1 79 79 LYS CD C 13 29.45 . . 1 . . . . 79 LYS CD . 11431 1 928 . 1 1 79 79 LYS CE C 13 42.01 . . 1 . . . . 79 LYS CE . 11431 1 929 . 1 1 79 79 LYS CG C 13 24.72 . . 1 . . . . 79 LYS CG . 11431 1 930 . 1 1 79 79 LYS N N 15 125.28 . . 1 . . . . 79 LYS N . 11431 1 stop_ save_