data_11430 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11430 _Entry.Title ; SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF THE HMGB2 ; _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 . . . 11430 2 J. UEWAKI . . . 11430 3 H. SHIMAHARA . . . 11430 4 M. YOSHIDA . . . 11430 5 S. TATE . . . 11430 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11430 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 276 11430 '15N chemical shifts' 75 11430 '1H chemical shifts' 544 11430 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 . 11430 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' 11430 BMRB 11431 'SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF THE HMGB2 (H22Y)' 11430 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11430 _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 . . . 11430 1 2 J. UEWAKI . . . 11430 1 3 H. SHIMAHARA . . . 11430 1 4 M. YOSHIDA . . . 11430 1 5 S. TATE . . . 11430 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11430 _Assembly.ID 1 _Assembly.Name 'HMGB2 B-domain' _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 1 $HMG2B A . yes native no no . . . 11430 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HMG2B _Entity.Sf_category entity _Entity.Sf_framecode HMG2B _Entity.Entry_ID 11430 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HMG2B _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 ; MKKDPNAPKRPPSAFFLFCS EHRPKIKSEHPGLSIGDTAK KLGEMWSEQSAKDKQPYEQK AAKLKEKYEKDIAAYRAK ; _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 78 _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 11431 . HMG2B-H22Y . . . . . 98.72 79 98.70 100.00 5.62e-46 . . . . 11430 1 2 no PDB 1J3C . "Solution Structure Of The C-Terminal Domain Of The Hmgb2" . . . . . 98.72 79 98.70 100.00 5.62e-46 . . . . 11430 1 3 no PDB 1J3D . "Solution Structure Of The C-Terminal Domain Of The Hmgb2" . . . . . 100.00 78 100.00 100.00 9.22e-48 . . . . 11430 1 4 no EMBL CAA78938 . "HMG2B [Homo sapiens]" . . . . . 98.72 186 98.70 98.70 3.77e-45 . . . . 11430 1 5 no GB AAA48819 . "high-mobility group-2 protein [Gallus gallus]" . . . . . 98.72 207 97.40 100.00 8.79e-45 . . . . 11430 1 6 no GB EDL28622 . "mCG11166, partial [Mus musculus]" . . . . . 98.72 160 97.40 98.70 5.23e-45 . . . . 11430 1 7 no GB EDM11073 . "rCG63620, partial [Rattus norvegicus]" . . . . . 98.72 198 100.00 100.00 4.50e-46 . . . . 11430 1 8 no GB EGV91758 . "High mobility group protein B2 [Cricetulus griseus]" . . . . . 98.72 159 100.00 100.00 7.81e-47 . . . . 11430 1 9 no GB ELW73033 . "High mobility group protein B2 [Tupaia chinensis]" . . . . . 98.72 234 100.00 100.00 3.78e-45 . . . . 11430 1 10 no REF XP_002187513 . "PREDICTED: high mobility group protein B2 [Taeniopygia guttata]" . . . . . 98.72 145 98.70 100.00 3.53e-46 . . . . 11430 1 11 no REF XP_003938773 . "PREDICTED: high mobility group protein B2 [Saimiri boliviensis boliviensis]" . . . . . 98.72 158 100.00 100.00 5.02e-47 . . . . 11430 1 12 no REF XP_004610441 . "PREDICTED: high mobility group protein B2 [Sorex araneus]" . . . . . 98.72 157 98.70 100.00 4.41e-46 . . . . 11430 1 13 no REF XP_006022293 . "PREDICTED: high mobility group protein B2 [Alligator sinensis]" . . . . . 98.72 158 97.40 100.00 2.01e-46 . . . . 11430 1 14 no REF XP_006194086 . "PREDICTED: high mobility group protein B2 [Camelus ferus]" . . . . . 98.72 159 100.00 100.00 5.40e-47 . . . . 11430 1 15 no TPG DAA30815 . "TPA: high-mobility group box 2-like [Bos taurus]" . . . . . 98.72 283 100.00 100.00 5.10e-45 . . . . 11430 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 . 11430 1 2 . LYS . 11430 1 3 . LYS . 11430 1 4 . ASP . 11430 1 5 . PRO . 11430 1 6 . ASN . 11430 1 7 . ALA . 11430 1 8 . PRO . 11430 1 9 . LYS . 11430 1 10 . ARG . 11430 1 11 . PRO . 11430 1 12 . PRO . 11430 1 13 . SER . 11430 1 14 . ALA . 11430 1 15 . PHE . 11430 1 16 . PHE . 11430 1 17 . LEU . 11430 1 18 . PHE . 11430 1 19 . CYS . 11430 1 20 . SER . 11430 1 21 . GLU . 11430 1 22 . HIS . 11430 1 23 . ARG . 11430 1 24 . PRO . 11430 1 25 . LYS . 11430 1 26 . ILE . 11430 1 27 . LYS . 11430 1 28 . SER . 11430 1 29 . GLU . 11430 1 30 . HIS . 11430 1 31 . PRO . 11430 1 32 . GLY . 11430 1 33 . LEU . 11430 1 34 . SER . 11430 1 35 . ILE . 11430 1 36 . GLY . 11430 1 37 . ASP . 11430 1 38 . THR . 11430 1 39 . ALA . 11430 1 40 . LYS . 11430 1 41 . LYS . 11430 1 42 . LEU . 11430 1 43 . GLY . 11430 1 44 . GLU . 11430 1 45 . MET . 11430 1 46 . TRP . 11430 1 47 . SER . 11430 1 48 . GLU . 11430 1 49 . GLN . 11430 1 50 . SER . 11430 1 51 . ALA . 11430 1 52 . LYS . 11430 1 53 . ASP . 11430 1 54 . LYS . 11430 1 55 . GLN . 11430 1 56 . PRO . 11430 1 57 . TYR . 11430 1 58 . GLU . 11430 1 59 . GLN . 11430 1 60 . LYS . 11430 1 61 . ALA . 11430 1 62 . ALA . 11430 1 63 . LYS . 11430 1 64 . LEU . 11430 1 65 . LYS . 11430 1 66 . GLU . 11430 1 67 . LYS . 11430 1 68 . TYR . 11430 1 69 . GLU . 11430 1 70 . LYS . 11430 1 71 . ASP . 11430 1 72 . ILE . 11430 1 73 . ALA . 11430 1 74 . ALA . 11430 1 75 . TYR . 11430 1 76 . ARG . 11430 1 77 . ALA . 11430 1 78 . LYS . 11430 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 11430 1 . LYS 2 2 11430 1 . LYS 3 3 11430 1 . ASP 4 4 11430 1 . PRO 5 5 11430 1 . ASN 6 6 11430 1 . ALA 7 7 11430 1 . PRO 8 8 11430 1 . LYS 9 9 11430 1 . ARG 10 10 11430 1 . PRO 11 11 11430 1 . PRO 12 12 11430 1 . SER 13 13 11430 1 . ALA 14 14 11430 1 . PHE 15 15 11430 1 . PHE 16 16 11430 1 . LEU 17 17 11430 1 . PHE 18 18 11430 1 . CYS 19 19 11430 1 . SER 20 20 11430 1 . GLU 21 21 11430 1 . HIS 22 22 11430 1 . ARG 23 23 11430 1 . PRO 24 24 11430 1 . LYS 25 25 11430 1 . ILE 26 26 11430 1 . LYS 27 27 11430 1 . SER 28 28 11430 1 . GLU 29 29 11430 1 . HIS 30 30 11430 1 . PRO 31 31 11430 1 . GLY 32 32 11430 1 . LEU 33 33 11430 1 . SER 34 34 11430 1 . ILE 35 35 11430 1 . GLY 36 36 11430 1 . ASP 37 37 11430 1 . THR 38 38 11430 1 . ALA 39 39 11430 1 . LYS 40 40 11430 1 . LYS 41 41 11430 1 . LEU 42 42 11430 1 . GLY 43 43 11430 1 . GLU 44 44 11430 1 . MET 45 45 11430 1 . TRP 46 46 11430 1 . SER 47 47 11430 1 . GLU 48 48 11430 1 . GLN 49 49 11430 1 . SER 50 50 11430 1 . ALA 51 51 11430 1 . LYS 52 52 11430 1 . ASP 53 53 11430 1 . LYS 54 54 11430 1 . GLN 55 55 11430 1 . PRO 56 56 11430 1 . TYR 57 57 11430 1 . GLU 58 58 11430 1 . GLN 59 59 11430 1 . LYS 60 60 11430 1 . ALA 61 61 11430 1 . ALA 62 62 11430 1 . LYS 63 63 11430 1 . LEU 64 64 11430 1 . LYS 65 65 11430 1 . GLU 66 66 11430 1 . LYS 67 67 11430 1 . TYR 68 68 11430 1 . GLU 69 69 11430 1 . LYS 70 70 11430 1 . ASP 71 71 11430 1 . ILE 72 72 11430 1 . ALA 73 73 11430 1 . ALA 74 74 11430 1 . TYR 75 75 11430 1 . ARG 76 76 11430 1 . ALA 77 77 11430 1 . LYS 78 78 11430 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 11430 _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 . 9823 organism . 'Sus scrofa' pig . . Eukaryota Metazoa Sus scrofa . . . . . . . . . . . . . . . . . . . . . 11430 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 11430 _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 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . pET22b . . . . . . 11430 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11430 _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 '[U-13C; U-15N]' . . 1 $HMG2B . protein 1 . . mM . . . . 11430 1 2 H2O . . . . . . solvent 95 . . % . . . . 11430 1 3 D2O . . . . . . solvent 5 . . % . . . . 11430 1 4 'sodium acetate' 'natural abundance' . . . . . buffer 50 . . mM . . . . 11430 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 11430 _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 11430 1 pH 5.0 . pH 11430 1 pressure 1 . atm 11430 1 temperature 298 . K 11430 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11430 _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' . . 11430 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11430 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 11430 _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 11430 _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 . . . 11430 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 11430 _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 . . . . . . . . . . . . . . . . 11430 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11430 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11430 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 11430 _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 . . . . . . . . . 11430 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11430 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11430 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 11430 _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 11430 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11430 1 3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 11430 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 4.10 . . 1 . . . . 1 MET HA . 11430 1 2 . 1 1 1 1 MET HB2 H 1 2.14 . . . . . . . 1 MET HB2 . 11430 1 3 . 1 1 1 1 MET HG2 H 1 2.58 . . . . . . . 1 MET HG2 . 11430 1 4 . 1 1 1 1 MET C C 13 171.21 . . 1 . . . . 1 MET C . 11430 1 5 . 1 1 1 1 MET CA C 13 53.44 . . 1 . . . . 1 MET CA . 11430 1 6 . 1 1 1 1 MET CB C 13 31.32 . . 1 . . . . 1 MET CB . 11430 1 7 . 1 1 2 2 LYS H H 1 8.71 . . 1 . . . . 2 LYS H . 11430 1 8 . 1 1 2 2 LYS HA H 1 4.32 . . 1 . . . . 2 LYS HA . 11430 1 9 . 1 1 2 2 LYS HB2 H 1 1.76 . . . . . . . 2 LYS HB2 . 11430 1 10 . 1 1 2 2 LYS HD2 H 1 1.66 . . 2 . . . . 2 LYS HD2 . 11430 1 11 . 1 1 2 2 LYS HD3 H 1 1.66 . . 2 . . . . 2 LYS HD3 . 11430 1 12 . 1 1 2 2 LYS HE2 H 1 2.98 . . 2 . . . . 2 LYS HE2 . 11430 1 13 . 1 1 2 2 LYS HE3 H 1 2.98 . . 2 . . . . 2 LYS HE3 . 11430 1 14 . 1 1 2 2 LYS HG2 H 1 1.41 . . 2 . . . . 2 LYS HG2 . 11430 1 15 . 1 1 2 2 LYS HG3 H 1 1.41 . . 2 . . . . 2 LYS HG3 . 11430 1 16 . 1 1 2 2 LYS C C 13 174.27 . . 1 . . . . 2 LYS C . 11430 1 17 . 1 1 2 2 LYS CA C 13 54.87 . . 1 . . . . 2 LYS CA . 11430 1 18 . 1 1 2 2 LYS CB C 13 31.68 . . 1 . . . . 2 LYS CB . 11430 1 19 . 1 1 2 2 LYS N N 15 126.51 . . 1 . . . . 2 LYS N . 11430 1 20 . 1 1 3 3 LYS H H 1 8.46 . . 1 . . . . 3 LYS H . 11430 1 21 . 1 1 3 3 LYS HA H 1 4.27 . . 1 . . . . 3 LYS HA . 11430 1 22 . 1 1 3 3 LYS HB2 H 1 1.71 . . . . . . . 3 LYS HB2 . 11430 1 23 . 1 1 3 3 LYS HD2 H 1 1.65 . . 2 . . . . 3 LYS HD2 . 11430 1 24 . 1 1 3 3 LYS HD3 H 1 1.65 . . 2 . . . . 3 LYS HD3 . 11430 1 25 . 1 1 3 3 LYS HE2 H 1 2.95 . . . . . . . 3 LYS HE2 . 11430 1 26 . 1 1 3 3 LYS HG2 H 1 1.37 . . 2 . . . . 3 LYS HG2 . 11430 1 27 . 1 1 3 3 LYS HG3 H 1 1.37 . . 2 . . . . 3 LYS HG3 . 11430 1 28 . 1 1 3 3 LYS C C 13 174.22 . . 1 . . . . 3 LYS C . 11430 1 29 . 1 1 3 3 LYS CA C 13 54.59 . . 1 . . . . 3 LYS CA . 11430 1 30 . 1 1 3 3 LYS CB C 13 31.68 . . 1 . . . . 3 LYS CB . 11430 1 31 . 1 1 3 3 LYS N N 15 125.61 . . 1 . . . . 3 LYS N . 11430 1 32 . 1 1 4 4 ASP H H 1 8.49 . . 1 . . . . 4 ASP H . 11430 1 33 . 1 1 4 4 ASP HA H 1 4.88 . . 1 . . . . 4 ASP HA . 11430 1 34 . 1 1 4 4 ASP HB2 H 1 2.62 . . . . . . . 4 ASP HB2 . 11430 1 35 . 1 1 4 4 ASP HB3 H 1 2.84 . . . . . . . 4 ASP HB3 . 11430 1 36 . 1 1 4 4 ASP C C 13 173.93 . . 1 . . . . 4 ASP C . 11430 1 37 . 1 1 4 4 ASP CA C 13 50.20 . . 1 . . . . 4 ASP CA . 11430 1 38 . 1 1 4 4 ASP CB C 13 39.99 . . 1 . . . . 4 ASP CB . 11430 1 39 . 1 1 4 4 ASP N N 15 125.58 . . 1 . . . . 4 ASP N . 11430 1 40 . 1 1 5 5 PRO HA H 1 4.41 . . 1 . . . . 5 PRO HA . 11430 1 41 . 1 1 5 5 PRO HB2 H 1 2.28 . . . . . . . 5 PRO HB2 . 11430 1 42 . 1 1 5 5 PRO HB3 H 1 1.97 . . . . . . . 5 PRO HB3 . 11430 1 43 . 1 1 5 5 PRO HD2 H 1 3.91 . . 2 . . . . 5 PRO HD2 . 11430 1 44 . 1 1 5 5 PRO HD3 H 1 3.91 . . 2 . . . . 5 PRO HD3 . 11430 1 45 . 1 1 5 5 PRO HG2 H 1 2.01 . . 2 . . . . 5 PRO HG2 . 11430 1 46 . 1 1 5 5 PRO HG3 H 1 2.01 . . 2 . . . . 5 PRO HG3 . 11430 1 47 . 1 1 5 5 PRO C C 13 175.27 . . 1 . . . . 5 PRO C . 11430 1 48 . 1 1 5 5 PRO CA C 13 62.19 . . 1 . . . . 5 PRO CA . 11430 1 49 . 1 1 5 5 PRO CB C 13 30.65 . . 1 . . . . 5 PRO CB . 11430 1 50 . 1 1 6 6 ASN H H 1 8.37 . . 1 . . . . 6 ASN H . 11430 1 51 . 1 1 6 6 ASN HA H 1 4.70 . . 1 . . . . 6 ASN HA . 11430 1 52 . 1 1 6 6 ASN HB2 H 1 2.81 . . . . . . . 6 ASN HB2 . 11430 1 53 . 1 1 6 6 ASN HB3 H 1 2.77 . . . . . . . 6 ASN HB3 . 11430 1 54 . 1 1 6 6 ASN HD21 H 1 7.77 . . . . . . . 6 ASN HD21 . 11430 1 55 . 1 1 6 6 ASN HD22 H 1 6.97 . . . . . . . 6 ASN HD22 . 11430 1 56 . 1 1 6 6 ASN C C 13 172.59 . . 1 . . . . 6 ASN C . 11430 1 57 . 1 1 6 6 ASN CA C 13 51.31 . . 1 . . . . 6 ASN CA . 11430 1 58 . 1 1 6 6 ASN CB C 13 37.61 . . 1 . . . . 6 ASN CB . 11430 1 59 . 1 1 6 6 ASN N N 15 118.87 . . 1 . . . . 6 ASN N . 11430 1 60 . 1 1 6 6 ASN ND2 N 15 115.93 . . 1 . . . . 6 ASN ND2 . 11430 1 61 . 1 1 7 7 ALA H H 1 7.54 . . 1 . . . . 7 ALA H . 11430 1 62 . 1 1 7 7 ALA HA H 1 3.74 . . 1 . . . . 7 ALA HA . 11430 1 63 . 1 1 7 7 ALA HB1 H 1 1.16 . . 1 . . . . 7 ALA MB . 11430 1 64 . 1 1 7 7 ALA HB2 H 1 1.16 . . 1 . . . . 7 ALA MB . 11430 1 65 . 1 1 7 7 ALA HB3 H 1 1.16 . . 1 . . . . 7 ALA MB . 11430 1 66 . 1 1 7 7 ALA CA C 13 49.16 . . 1 . . . . 7 ALA CA . 11430 1 67 . 1 1 7 7 ALA CB C 13 15.83 . . 1 . . . . 7 ALA CB . 11430 1 68 . 1 1 7 7 ALA N N 15 126.01 . . 1 . . . . 7 ALA N . 11430 1 69 . 1 1 8 8 PRO HA H 1 4.31 . . 1 . . . . 8 PRO HA . 11430 1 70 . 1 1 8 8 PRO HB2 H 1 1.78 . . . . . . . 8 PRO HB2 . 11430 1 71 . 1 1 8 8 PRO HB3 H 1 2.34 . . . . . . . 8 PRO HB3 . 11430 1 72 . 1 1 8 8 PRO HD2 H 1 3.23 . . . . . . . 8 PRO HD2 . 11430 1 73 . 1 1 8 8 PRO HD3 H 1 3.03 . . . . . . . 8 PRO HD3 . 11430 1 74 . 1 1 8 8 PRO HG2 H 1 1.81 . . . . . . . 8 PRO HG2 . 11430 1 75 . 1 1 8 8 PRO HG3 H 1 1.65 . . . . . . . 8 PRO HG3 . 11430 1 76 . 1 1 8 8 PRO C C 13 174.46 . . 1 . . . . 8 PRO C . 11430 1 77 . 1 1 8 8 PRO CA C 13 61.39 . . 1 . . . . 8 PRO CA . 11430 1 78 . 1 1 8 8 PRO CB C 13 30.44 . . 1 . . . . 8 PRO CB . 11430 1 79 . 1 1 9 9 LYS H H 1 8.47 . . 1 . . . . 9 LYS H . 11430 1 80 . 1 1 9 9 LYS HA H 1 4.28 . . 1 . . . . 9 LYS HA . 11430 1 81 . 1 1 9 9 LYS HB2 H 1 1.72 . . . . . . . 9 LYS HB2 . 11430 1 82 . 1 1 9 9 LYS HB3 H 1 1.64 . . . . . . . 9 LYS HB3 . 11430 1 83 . 1 1 9 9 LYS HD2 H 1 1.64 . . 2 . . . . 9 LYS HD2 . 11430 1 84 . 1 1 9 9 LYS HD3 H 1 1.64 . . 2 . . . . 9 LYS HD3 . 11430 1 85 . 1 1 9 9 LYS HE2 H 1 2.98 . . 2 . . . . 9 LYS HE2 . 11430 1 86 . 1 1 9 9 LYS HE3 H 1 2.98 . . 2 . . . . 9 LYS HE3 . 11430 1 87 . 1 1 9 9 LYS HG2 H 1 1.44 . . 2 . . . . 9 LYS HG2 . 11430 1 88 . 1 1 9 9 LYS HG3 H 1 1.44 . . 2 . . . . 9 LYS HG3 . 11430 1 89 . 1 1 9 9 LYS C C 13 174.33 . . 1 . . . . 9 LYS C . 11430 1 90 . 1 1 9 9 LYS CA C 13 53.86 . . 1 . . . . 9 LYS CA . 11430 1 91 . 1 1 9 9 LYS CB C 13 31.88 . . 1 . . . . 9 LYS CB . 11430 1 92 . 1 1 9 9 LYS N N 15 124.90 . . 1 . . . . 9 LYS N . 11430 1 93 . 1 1 10 10 ARG H H 1 8.25 . . 1 . . . . 10 ARG H . 11430 1 94 . 1 1 10 10 ARG HA H 1 3.44 . . 1 . . . . 10 ARG HA . 11430 1 95 . 1 1 10 10 ARG HB2 H 1 1.49 . . . . . . . 10 ARG HB2 . 11430 1 96 . 1 1 10 10 ARG HD2 H 1 3.06 . . 2 . . . . 10 ARG HD2 . 11430 1 97 . 1 1 10 10 ARG HD3 H 1 3.06 . . 2 . . . . 10 ARG HD3 . 11430 1 98 . 1 1 10 10 ARG HE H 1 7.14 . . 1 . . . . 10 ARG HE . 11430 1 99 . 1 1 10 10 ARG HG2 H 1 1.44 . . 2 . . . . 10 ARG HG2 . 11430 1 100 . 1 1 10 10 ARG HG3 H 1 1.44 . . 2 . . . . 10 ARG HG3 . 11430 1 101 . 1 1 10 10 ARG C C 13 172.93 . . 1 . . . . 10 ARG C . 11430 1 102 . 1 1 10 10 ARG CA C 13 53.03 . . 1 . . . . 10 ARG CA . 11430 1 103 . 1 1 10 10 ARG CB C 13 27.57 . . 1 . . . . 10 ARG CB . 11430 1 104 . 1 1 10 10 ARG N N 15 124.38 . . 1 . . . . 10 ARG N . 11430 1 105 . 1 1 10 10 ARG NE N 15 86.01 . . 1 . . . . 10 ARG NE . 11430 1 106 . 1 1 11 11 PRO HA H 1 4.60 . . 1 . . . . 11 PRO HA . 11430 1 107 . 1 1 11 11 PRO HB2 H 1 2.06 . . . . . . . 11 PRO HB2 . 11430 1 108 . 1 1 11 11 PRO HB3 H 1 1.99 . . . . . . . 11 PRO HB3 . 11430 1 109 . 1 1 11 11 PRO HD2 H 1 2.95 . . . . . . . 11 PRO HD2 . 11430 1 110 . 1 1 11 11 PRO HD3 H 1 2.72 . . . . . . . 11 PRO HD3 . 11430 1 111 . 1 1 11 11 PRO HG2 H 1 1.88 . . . . . . . 11 PRO HG2 . 11430 1 112 . 1 1 11 11 PRO HG3 H 1 1.66 . . . . . . . 11 PRO HG3 . 11430 1 113 . 1 1 11 11 PRO CA C 13 59.48 . . 1 . . . . 11 PRO CA . 11430 1 114 . 1 1 12 12 PRO HA H 1 4.31 . . 1 . . . . 12 PRO HA . 11430 1 115 . 1 1 12 12 PRO HB2 H 1 1.92 . . . . . . . 12 PRO HB2 . 11430 1 116 . 1 1 12 12 PRO HD2 H 1 3.65 . . . . . . . 12 PRO HD2 . 11430 1 117 . 1 1 12 12 PRO HD3 H 1 3.48 . . . . . . . 12 PRO HD3 . 11430 1 118 . 1 1 12 12 PRO HG2 H 1 1.99 . . 2 . . . . 12 PRO HG2 . 11430 1 119 . 1 1 12 12 PRO HG3 H 1 1.99 . . 2 . . . . 12 PRO HG3 . 11430 1 120 . 1 1 12 12 PRO C C 13 174.25 . . 1 . . . . 12 PRO C . 11430 1 121 . 1 1 12 12 PRO CA C 13 60.24 . . 1 . . . . 12 PRO CA . 11430 1 122 . 1 1 12 12 PRO CB C 13 31.51 . . 1 . . . . 12 PRO CB . 11430 1 123 . 1 1 13 13 SER H H 1 7.82 . . 1 . . . . 13 SER H . 11430 1 124 . 1 1 13 13 SER HA H 1 4.47 . . 1 . . . . 13 SER HA . 11430 1 125 . 1 1 13 13 SER HB2 H 1 4.43 . . . . . . . 13 SER HB2 . 11430 1 126 . 1 1 13 13 SER HB3 H 1 4.02 . . . . . . . 13 SER HB3 . 11430 1 127 . 1 1 13 13 SER C C 13 173.02 . . 1 . . . . 13 SER C . 11430 1 128 . 1 1 13 13 SER CA C 13 54.88 . . 1 . . . . 13 SER CA . 11430 1 129 . 1 1 13 13 SER CB C 13 64.30 . . 1 . . . . 13 SER CB . 11430 1 130 . 1 1 13 13 SER N N 15 116.14 . . 1 . . . . 13 SER N . 11430 1 131 . 1 1 14 14 ALA H H 1 9.00 . . 1 . . . . 14 ALA H . 11430 1 132 . 1 1 14 14 ALA HA H 1 4.03 . . 1 . . . . 14 ALA HA . 11430 1 133 . 1 1 14 14 ALA HB1 H 1 1.60 . . 1 . . . . 14 ALA MB . 11430 1 134 . 1 1 14 14 ALA HB2 H 1 1.60 . . 1 . . . . 14 ALA MB . 11430 1 135 . 1 1 14 14 ALA HB3 H 1 1.60 . . 1 . . . . 14 ALA MB . 11430 1 136 . 1 1 14 14 ALA C C 13 177.08 . . 1 . . . . 14 ALA C . 11430 1 137 . 1 1 14 14 ALA CA C 13 54.36 . . 1 . . . . 14 ALA CA . 11430 1 138 . 1 1 14 14 ALA CB C 13 17.08 . . 1 . . . . 14 ALA CB . 11430 1 139 . 1 1 14 14 ALA N N 15 124.34 . . 1 . . . . 14 ALA N . 11430 1 140 . 1 1 15 15 PHE H H 1 8.35 . . 1 . . . . 15 PHE H . 11430 1 141 . 1 1 15 15 PHE HA H 1 4.06 . . 1 . . . . 15 PHE HA . 11430 1 142 . 1 1 15 15 PHE HB2 H 1 2.80 . . . . . . . 15 PHE HB2 . 11430 1 143 . 1 1 15 15 PHE HB3 H 1 2.39 . . . . . . . 15 PHE HB3 . 11430 1 144 . 1 1 15 15 PHE HD1 H 1 6.28 . . 3 . . . . 15 PHE HD1 . 11430 1 145 . 1 1 15 15 PHE HD2 H 1 6.28 . . 3 . . . . 15 PHE HD2 . 11430 1 146 . 1 1 15 15 PHE HE1 H 1 7.13 . . 3 . . . . 15 PHE HE1 . 11430 1 147 . 1 1 15 15 PHE HE2 H 1 7.13 . . 3 . . . . 15 PHE HE2 . 11430 1 148 . 1 1 15 15 PHE HZ H 1 7.10 . . 1 . . . . 15 PHE HZ . 11430 1 149 . 1 1 15 15 PHE C C 13 175.81 . . 1 . . . . 15 PHE C . 11430 1 150 . 1 1 15 15 PHE CA C 13 57.39 . . 1 . . . . 15 PHE CA . 11430 1 151 . 1 1 15 15 PHE CB C 13 37.22 . . 1 . . . . 15 PHE CB . 11430 1 152 . 1 1 15 15 PHE CD1 C 13 130.11 . . 3 . . . . 15 PHE CD1 . 11430 1 153 . 1 1 15 15 PHE CD2 C 13 130.11 . . 3 . . . . 15 PHE CD2 . 11430 1 154 . 1 1 15 15 PHE CE1 C 13 129.84 . . 3 . . . . 15 PHE CE1 . 11430 1 155 . 1 1 15 15 PHE CE2 C 13 129.84 . . 3 . . . . 15 PHE CE2 . 11430 1 156 . 1 1 15 15 PHE CZ C 13 128.55 . . 1 . . . . 15 PHE CZ . 11430 1 157 . 1 1 15 15 PHE N N 15 117.74 . . 1 . . . . 15 PHE N . 11430 1 158 . 1 1 16 16 PHE H H 1 8.16 . . 1 . . . . 16 PHE H . 11430 1 159 . 1 1 16 16 PHE HA H 1 3.67 . . 1 . . . . 16 PHE HA . 11430 1 160 . 1 1 16 16 PHE HB2 H 1 3.28 . . . . . . . 16 PHE HB2 . 11430 1 161 . 1 1 16 16 PHE HB3 H 1 3.13 . . . . . . . 16 PHE HB3 . 11430 1 162 . 1 1 16 16 PHE HD1 H 1 6.87 . . 3 . . . . 16 PHE HD1 . 11430 1 163 . 1 1 16 16 PHE HD2 H 1 6.87 . . 3 . . . . 16 PHE HD2 . 11430 1 164 . 1 1 16 16 PHE HE1 H 1 7.36 . . 3 . . . . 16 PHE HE1 . 11430 1 165 . 1 1 16 16 PHE HE2 H 1 7.36 . . 3 . . . . 16 PHE HE2 . 11430 1 166 . 1 1 16 16 PHE HZ H 1 7.12 . . 1 . . . . 16 PHE HZ . 11430 1 167 . 1 1 16 16 PHE C C 13 177.44 . . 1 . . . . 16 PHE C . 11430 1 168 . 1 1 16 16 PHE CA C 13 60.40 . . 1 . . . . 16 PHE CA . 11430 1 169 . 1 1 16 16 PHE CB C 13 37.05 . . 1 . . . . 16 PHE CB . 11430 1 170 . 1 1 16 16 PHE CD1 C 13 127.40 . . 3 . . . . 16 PHE CD1 . 11430 1 171 . 1 1 16 16 PHE CD2 C 13 127.40 . . 3 . . . . 16 PHE CD2 . 11430 1 172 . 1 1 16 16 PHE CE1 C 13 129.84 . . 3 . . . . 16 PHE CE1 . 11430 1 173 . 1 1 16 16 PHE CE2 C 13 129.84 . . 3 . . . . 16 PHE CE2 . 11430 1 174 . 1 1 16 16 PHE CZ C 13 130.10 . . 1 . . . . 16 PHE CZ . 11430 1 175 . 1 1 16 16 PHE N N 15 124.61 . . 1 . . . . 16 PHE N . 11430 1 176 . 1 1 17 17 LEU H H 1 8.24 . . 1 . . . . 17 LEU H . 11430 1 177 . 1 1 17 17 LEU HA H 1 4.07 . . 1 . . . . 17 LEU HA . 11430 1 178 . 1 1 17 17 LEU HB2 H 1 2.44 . . . . . . . 17 LEU HB2 . 11430 1 179 . 1 1 17 17 LEU HB3 H 1 1.78 . . . . . . . 17 LEU HB3 . 11430 1 180 . 1 1 17 17 LEU HD11 H 1 1.04 . . . . . . . 17 LEU MD1 . 11430 1 181 . 1 1 17 17 LEU HD12 H 1 1.04 . . . . . . . 17 LEU MD1 . 11430 1 182 . 1 1 17 17 LEU HD13 H 1 1.04 . . . . . . . 17 LEU MD1 . 11430 1 183 . 1 1 17 17 LEU HD21 H 1 1.00 . . . . . . . 17 LEU MD2 . 11430 1 184 . 1 1 17 17 LEU HD22 H 1 1.00 . . . . . . . 17 LEU MD2 . 11430 1 185 . 1 1 17 17 LEU HD23 H 1 1.00 . . . . . . . 17 LEU MD2 . 11430 1 186 . 1 1 17 17 LEU HG H 1 1.38 . . 1 . . . . 17 LEU HG . 11430 1 187 . 1 1 17 17 LEU C C 13 178.17 . . 1 . . . . 17 LEU C . 11430 1 188 . 1 1 17 17 LEU CA C 13 56.75 . . 1 . . . . 17 LEU CA . 11430 1 189 . 1 1 17 17 LEU CB C 13 40.55 . . 1 . . . . 17 LEU CB . 11430 1 190 . 1 1 17 17 LEU CD1 C 13 25.13 . . . . . . . 17 LEU CD1 . 11430 1 191 . 1 1 17 17 LEU CD2 C 13 20.60 . . . . . . . 17 LEU CD2 . 11430 1 192 . 1 1 17 17 LEU N N 15 122.48 . . 1 . . . . 17 LEU N . 11430 1 193 . 1 1 18 18 PHE H H 1 8.16 . . 1 . . . . 18 PHE H . 11430 1 194 . 1 1 18 18 PHE HA H 1 3.67 . . 1 . . . . 18 PHE HA . 11430 1 195 . 1 1 18 18 PHE HB2 H 1 2.09 . . . . . . . 18 PHE HB2 . 11430 1 196 . 1 1 18 18 PHE HB3 H 1 2.73 . . . . . . . 18 PHE HB3 . 11430 1 197 . 1 1 18 18 PHE HD1 H 1 6.92 . . 3 . . . . 18 PHE HD1 . 11430 1 198 . 1 1 18 18 PHE HD2 H 1 6.92 . . 3 . . . . 18 PHE HD2 . 11430 1 199 . 1 1 18 18 PHE HE1 H 1 7.32 . . 3 . . . . 18 PHE HE1 . 11430 1 200 . 1 1 18 18 PHE HE2 H 1 7.32 . . 3 . . . . 18 PHE HE2 . 11430 1 201 . 1 1 18 18 PHE HZ H 1 7.12 . . 1 . . . . 18 PHE HZ . 11430 1 202 . 1 1 18 18 PHE C C 13 177.23 . . 1 . . . . 18 PHE C . 11430 1 203 . 1 1 18 18 PHE CA C 13 60.15 . . 1 . . . . 18 PHE CA . 11430 1 204 . 1 1 18 18 PHE CB C 13 37.71 . . 1 . . . . 18 PHE CB . 11430 1 205 . 1 1 18 18 PHE CD1 C 13 131.13 . . . . . . . 18 PHE CD1 . 11430 1 206 . 1 1 18 18 PHE CD2 C 13 128.53 . . . . . . . 18 PHE CD2 . 11430 1 207 . 1 1 18 18 PHE CZ C 13 129.64 . . 1 . . . . 18 PHE CZ . 11430 1 208 . 1 1 18 18 PHE N N 15 124.38 . . 1 . . . . 18 PHE N . 11430 1 209 . 1 1 19 19 CYS H H 1 8.52 . . 1 . . . . 19 CYS H . 11430 1 210 . 1 1 19 19 CYS HA H 1 3.65 . . 1 . . . . 19 CYS HA . 11430 1 211 . 1 1 19 19 CYS HB2 H 1 2.13 . . . . . . . 19 CYS HB2 . 11430 1 212 . 1 1 19 19 CYS HB3 H 1 2.64 . . . . . . . 19 CYS HB3 . 11430 1 213 . 1 1 19 19 CYS C C 13 174.68 . . 1 . . . . 19 CYS C . 11430 1 214 . 1 1 19 19 CYS CA C 13 62.67 . . 1 . . . . 19 CYS CA . 11430 1 215 . 1 1 19 19 CYS CB C 13 24.74 . . 1 . . . . 19 CYS CB . 11430 1 216 . 1 1 19 19 CYS N N 15 121.70 . . 1 . . . . 19 CYS N . 11430 1 217 . 1 1 20 20 SER H H 1 8.19 . . 1 . . . . 20 SER H . 11430 1 218 . 1 1 20 20 SER HA H 1 3.86 . . 1 . . . . 20 SER HA . 11430 1 219 . 1 1 20 20 SER HB2 H 1 3.82 . . . . . . . 20 SER HB2 . 11430 1 220 . 1 1 20 20 SER HB3 H 1 3.79 . . . . . . . 20 SER HB3 . 11430 1 221 . 1 1 20 20 SER C C 13 174.13 . . 1 . . . . 20 SER C . 11430 1 222 . 1 1 20 20 SER CA C 13 59.97 . . 1 . . . . 20 SER CA . 11430 1 223 . 1 1 20 20 SER CB C 13 61.19 . . 1 . . . . 20 SER CB . 11430 1 224 . 1 1 20 20 SER N N 15 117.35 . . 1 . . . . 20 SER N . 11430 1 225 . 1 1 21 21 GLU H H 1 7.08 . . 1 . . . . 21 GLU H . 11430 1 226 . 1 1 21 21 GLU HA H 1 4.08 . . 1 . . . . 21 GLU HA . 11430 1 227 . 1 1 21 21 GLU HB2 H 1 1.98 . . . . . . . 21 GLU HB2 . 11430 1 228 . 1 1 21 21 GLU HB3 H 1 1.82 . . . . . . . 21 GLU HB3 . 11430 1 229 . 1 1 21 21 GLU HG2 H 1 2.19 . . 2 . . . . 21 GLU HG2 . 11430 1 230 . 1 1 21 21 GLU HG3 H 1 2.19 . . 2 . . . . 21 GLU HG3 . 11430 1 231 . 1 1 21 21 GLU C C 13 176.22 . . 1 . . . . 21 GLU C . 11430 1 232 . 1 1 21 21 GLU CA C 13 56.35 . . 1 . . . . 21 GLU CA . 11430 1 233 . 1 1 21 21 GLU CB C 13 28.77 . . 1 . . . . 21 GLU CB . 11430 1 234 . 1 1 21 21 GLU N N 15 118.78 . . 1 . . . . 21 GLU N . 11430 1 235 . 1 1 22 22 HIS H H 1 7.55 . . 1 . . . . 22 HIS H . 11430 1 236 . 1 1 22 22 HIS HA H 1 4.27 . . 1 . . . . 22 HIS HA . 11430 1 237 . 1 1 22 22 HIS HB2 H 1 2.83 . . . . . . . 22 HIS HB2 . 11430 1 238 . 1 1 22 22 HIS HB3 H 1 2.17 . . . . . . . 22 HIS HB3 . 11430 1 239 . 1 1 22 22 HIS HD1 H 1 6.11 . . 1 . . . . 22 HIS HD1 . 11430 1 240 . 1 1 22 22 HIS HE1 H 1 7.97 . . 1 . . . . 22 HIS HE1 . 11430 1 241 . 1 1 22 22 HIS C C 13 173.96 . . 1 . . . . 22 HIS C . 11430 1 242 . 1 1 22 22 HIS CA C 13 56.96 . . 1 . . . . 22 HIS CA . 11430 1 243 . 1 1 22 22 HIS CB C 13 28.59 . . 1 . . . . 22 HIS CB . 11430 1 244 . 1 1 22 22 HIS CD2 C 13 118.54 . . 1 . . . . 22 HIS CD2 . 11430 1 245 . 1 1 22 22 HIS CE1 C 13 136.32 . . 1 . . . . 22 HIS CE1 . 11430 1 246 . 1 1 22 22 HIS N N 15 115.01 . . 1 . . . . 22 HIS N . 11430 1 247 . 1 1 23 23 ARG H H 1 8.83 . . 1 . . . . 23 ARG H . 11430 1 248 . 1 1 23 23 ARG HA H 1 3.91 . . 1 . . . . 23 ARG HA . 11430 1 249 . 1 1 23 23 ARG HB2 H 1 1.84 . . . . . . . 23 ARG HB2 . 11430 1 250 . 1 1 23 23 ARG HD2 H 1 3.18 . . . . . . . 23 ARG HD2 . 11430 1 251 . 1 1 23 23 ARG HD3 H 1 3.09 . . . . . . . 23 ARG HD3 . 11430 1 252 . 1 1 23 23 ARG HE H 1 7.21 . . 1 . . . . 23 ARG HE . 11430 1 253 . 1 1 23 23 ARG HG2 H 1 1.52 . . 2 . . . . 23 ARG HG2 . 11430 1 254 . 1 1 23 23 ARG HG3 H 1 1.52 . . 2 . . . . 23 ARG HG3 . 11430 1 255 . 1 1 23 23 ARG CA C 13 60.40 . . 1 . . . . 23 ARG CA . 11430 1 256 . 1 1 23 23 ARG N N 15 124.59 . . 1 . . . . 23 ARG N . 11430 1 257 . 1 1 23 23 ARG NE N 15 85.42 . . 1 . . . . 23 ARG NE . 11430 1 258 . 1 1 24 24 PRO HA H 1 4.21 . . 1 . . . . 24 PRO HA . 11430 1 259 . 1 1 24 24 PRO HB2 H 1 2.28 . . . . . . . 24 PRO HB2 . 11430 1 260 . 1 1 24 24 PRO HB3 H 1 1.77 . . . . . . . 24 PRO HB3 . 11430 1 261 . 1 1 24 24 PRO HD2 H 1 3.54 . . . . . . . 24 PRO HD2 . 11430 1 262 . 1 1 24 24 PRO HD3 H 1 3.37 . . . . . . . 24 PRO HD3 . 11430 1 263 . 1 1 24 24 PRO HG2 H 1 2.02 . . . . . . . 24 PRO HG2 . 11430 1 264 . 1 1 24 24 PRO HG3 H 1 1.90 . . . . . . . 24 PRO HG3 . 11430 1 265 . 1 1 24 24 PRO C C 13 177.51 . . 1 . . . . 24 PRO C . 11430 1 266 . 1 1 24 24 PRO CA C 13 64.51 . . 1 . . . . 24 PRO CA . 11430 1 267 . 1 1 24 24 PRO CB C 13 29.27 . . 1 . . . . 24 PRO CB . 11430 1 268 . 1 1 25 25 LYS H H 1 7.05 . . 1 . . . . 25 LYS H . 11430 1 269 . 1 1 25 25 LYS HA H 1 4.14 . . 1 . . . . 25 LYS HA . 11430 1 270 . 1 1 25 25 LYS HB2 H 1 1.91 . . 2 . . . . 25 LYS HB2 . 11430 1 271 . 1 1 25 25 LYS HB3 H 1 1.91 . . 2 . . . . 25 LYS HB3 . 11430 1 272 . 1 1 25 25 LYS HD2 H 1 1.63 . . 2 . . . . 25 LYS HD2 . 11430 1 273 . 1 1 25 25 LYS HD3 H 1 1.63 . . 2 . . . . 25 LYS HD3 . 11430 1 274 . 1 1 25 25 LYS HE2 H 1 2.92 . . 2 . . . . 25 LYS HE2 . 11430 1 275 . 1 1 25 25 LYS HE3 H 1 2.92 . . 2 . . . . 25 LYS HE3 . 11430 1 276 . 1 1 25 25 LYS HG2 H 1 1.43 . . 2 . . . . 25 LYS HG2 . 11430 1 277 . 1 1 25 25 LYS HG3 H 1 1.43 . . 2 . . . . 25 LYS HG3 . 11430 1 278 . 1 1 25 25 LYS C C 13 177.10 . . 1 . . . . 25 LYS C . 11430 1 279 . 1 1 25 25 LYS CA C 13 57.03 . . 1 . . . . 25 LYS CA . 11430 1 280 . 1 1 25 25 LYS CB C 13 30.82 . . 1 . . . . 25 LYS CB . 11430 1 281 . 1 1 25 25 LYS N N 15 118.68 . . 1 . . . . 25 LYS N . 11430 1 282 . 1 1 26 26 ILE H H 1 7.65 . . 1 . . . . 26 ILE H . 11430 1 283 . 1 1 26 26 ILE HA H 1 3.98 . . 1 . . . . 26 ILE HA . 11430 1 284 . 1 1 26 26 ILE HB H 1 1.96 . . 1 . . . . 26 ILE HB . 11430 1 285 . 1 1 26 26 ILE HD11 H 1 0.84 . . 1 . . . . 26 ILE MD . 11430 1 286 . 1 1 26 26 ILE HD12 H 1 0.84 . . 1 . . . . 26 ILE MD . 11430 1 287 . 1 1 26 26 ILE HD13 H 1 0.84 . . 1 . . . . 26 ILE MD . 11430 1 288 . 1 1 26 26 ILE HG12 H 1 1.62 . . . . . . . 26 ILE HG12 . 11430 1 289 . 1 1 26 26 ILE HG13 H 1 1.31 . . . . . . . 26 ILE HG13 . 11430 1 290 . 1 1 26 26 ILE HG21 H 1 0.96 . . 1 . . . . 26 ILE MG . 11430 1 291 . 1 1 26 26 ILE HG22 H 1 0.96 . . 1 . . . . 26 ILE MG . 11430 1 292 . 1 1 26 26 ILE HG23 H 1 0.96 . . 1 . . . . 26 ILE MG . 11430 1 293 . 1 1 26 26 ILE C C 13 176.39 . . 1 . . . . 26 ILE C . 11430 1 294 . 1 1 26 26 ILE CA C 13 62.73 . . 1 . . . . 26 ILE CA . 11430 1 295 . 1 1 26 26 ILE CB C 13 36.16 . . 1 . . . . 26 ILE CB . 11430 1 296 . 1 1 26 26 ILE CD1 C 13 12.17 . . 1 . . . . 26 ILE CD1 . 11430 1 297 . 1 1 26 26 ILE CG1 C 13 16.89 . . 1 . . . . 26 ILE CG1 . 11430 1 298 . 1 1 26 26 ILE N N 15 120.82 . . 1 . . . . 26 ILE N . 11430 1 299 . 1 1 27 27 LYS H H 1 7.88 . . 1 . . . . 27 LYS H . 11430 1 300 . 1 1 27 27 LYS HA H 1 4.04 . . 1 . . . . 27 LYS HA . 11430 1 301 . 1 1 27 27 LYS HB2 H 1 1.80 . . . . . . . 27 LYS HB2 . 11430 1 302 . 1 1 27 27 LYS HB3 H 1 1.76 . . . . . . . 27 LYS HB3 . 11430 1 303 . 1 1 27 27 LYS HD2 H 1 1.41 . . 2 . . . . 27 LYS HD2 . 11430 1 304 . 1 1 27 27 LYS HD3 H 1 1.41 . . 2 . . . . 27 LYS HD3 . 11430 1 305 . 1 1 27 27 LYS HE2 H 1 2.98 . . 2 . . . . 27 LYS HE2 . 11430 1 306 . 1 1 27 27 LYS HE3 H 1 2.98 . . 2 . . . . 27 LYS HE3 . 11430 1 307 . 1 1 27 27 LYS HG2 H 1 1.51 . . 2 . . . . 27 LYS HG2 . 11430 1 308 . 1 1 27 27 LYS HG3 H 1 1.51 . . 2 . . . . 27 LYS HG3 . 11430 1 309 . 1 1 27 27 LYS C C 13 176.71 . . 1 . . . . 27 LYS C . 11430 1 310 . 1 1 27 27 LYS CA C 13 56.80 . . 1 . . . . 27 LYS CA . 11430 1 311 . 1 1 27 27 LYS CB C 13 30.11 . . 1 . . . . 27 LYS CB . 11430 1 312 . 1 1 27 27 LYS N N 15 120.22 . . 1 . . . . 27 LYS N . 11430 1 313 . 1 1 28 28 SER H H 1 7.68 . . 1 . . . . 28 SER H . 11430 1 314 . 1 1 28 28 SER HA H 1 4.19 . . 1 . . . . 28 SER HA . 11430 1 315 . 1 1 28 28 SER HB2 H 1 3.93 . . 2 . . . . 28 SER HB2 . 11430 1 316 . 1 1 28 28 SER HB3 H 1 3.93 . . 2 . . . . 28 SER HB3 . 11430 1 317 . 1 1 28 28 SER C C 13 174.59 . . 1 . . . . 28 SER C . 11430 1 318 . 1 1 28 28 SER CA C 13 59.80 . . 1 . . . . 28 SER CA . 11430 1 319 . 1 1 28 28 SER CB C 13 61.59 . . 1 . . . . 28 SER CB . 11430 1 320 . 1 1 28 28 SER N N 15 114.10 . . 1 . . . . 28 SER N . 11430 1 321 . 1 1 29 29 GLU H H 1 7.73 . . 1 . . . . 29 GLU H . 11430 1 322 . 1 1 29 29 GLU HA H 1 4.03 . . 1 . . . . 29 GLU HA . 11430 1 323 . 1 1 29 29 GLU HB2 H 1 1.63 . . . . . . . 29 GLU HB2 . 11430 1 324 . 1 1 29 29 GLU HB3 H 1 1.89 . . . . . . . 29 GLU HB3 . 11430 1 325 . 1 1 29 29 GLU HG2 H 1 2.37 . . . . . . . 29 GLU HG2 . 11430 1 326 . 1 1 29 29 GLU HG3 H 1 2.04 . . . . . . . 29 GLU HG3 . 11430 1 327 . 1 1 29 29 GLU C C 13 174.94 . . 1 . . . . 29 GLU C . 11430 1 328 . 1 1 29 29 GLU CA C 13 56.09 . . 1 . . . . 29 GLU CA . 11430 1 329 . 1 1 29 29 GLU CB C 13 29.16 . . 1 . . . . 29 GLU CB . 11430 1 330 . 1 1 29 29 GLU N N 15 120.44 . . 1 . . . . 29 GLU N . 11430 1 331 . 1 1 30 30 HIS H H 1 8.02 . . 1 . . . . 30 HIS H . 11430 1 332 . 1 1 30 30 HIS HA H 1 5.03 . . 1 . . . . 30 HIS HA . 11430 1 333 . 1 1 30 30 HIS HB2 H 1 3.22 . . . . . . . 30 HIS HB2 . 11430 1 334 . 1 1 30 30 HIS HB3 H 1 3.10 . . . . . . . 30 HIS HB3 . 11430 1 335 . 1 1 30 30 HIS HD1 H 1 7.24 . . 1 . . . . 30 HIS HD1 . 11430 1 336 . 1 1 30 30 HIS HE1 H 1 8.38 . . 1 . . . . 30 HIS HE1 . 11430 1 337 . 1 1 30 30 HIS C C 13 170.18 . . 1 . . . . 30 HIS C . 11430 1 338 . 1 1 30 30 HIS CA C 13 51.01 . . 1 . . . . 30 HIS CA . 11430 1 339 . 1 1 30 30 HIS CB C 13 27.64 . . 1 . . . . 30 HIS CB . 11430 1 340 . 1 1 30 30 HIS CD2 C 13 119.02 . . 1 . . . . 30 HIS CD2 . 11430 1 341 . 1 1 30 30 HIS CE1 C 13 135.78 . . 1 . . . . 30 HIS CE1 . 11430 1 342 . 1 1 30 30 HIS N N 15 117.00 . . 1 . . . . 30 HIS N . 11430 1 343 . 1 1 31 31 PRO HA H 1 4.53 . . 1 . . . . 31 PRO HA . 11430 1 344 . 1 1 31 31 PRO HB2 H 1 2.35 . . . . . . . 31 PRO HB2 . 11430 1 345 . 1 1 31 31 PRO HB3 H 1 1.93 . . . . . . . 31 PRO HB3 . 11430 1 346 . 1 1 31 31 PRO HD2 H 1 3.56 . . . . . . . 31 PRO HD2 . 11430 1 347 . 1 1 31 31 PRO HD3 H 1 3.35 . . . . . . . 31 PRO HD3 . 11430 1 348 . 1 1 31 31 PRO HG2 H 1 1.99 . . 2 . . . . 31 PRO HG2 . 11430 1 349 . 1 1 31 31 PRO HG3 H 1 1.99 . . 2 . . . . 31 PRO HG3 . 11430 1 350 . 1 1 31 31 PRO C C 13 176.59 . . 1 . . . . 31 PRO C . 11430 1 351 . 1 1 31 31 PRO CA C 13 62.94 . . 1 . . . . 31 PRO CA . 11430 1 352 . 1 1 31 31 PRO CB C 13 30.31 . . 1 . . . . 31 PRO CB . 11430 1 353 . 1 1 32 32 GLY H H 1 8.71 . . 1 . . . . 32 GLY H . 11430 1 354 . 1 1 32 32 GLY HA2 H 1 3.99 . . . . . . . 32 GLY HA2 . 11430 1 355 . 1 1 32 32 GLY HA3 H 1 3.83 . . . . . . . 32 GLY HA3 . 11430 1 356 . 1 1 32 32 GLY C C 13 173.16 . . 1 . . . . 32 GLY C . 11430 1 357 . 1 1 32 32 GLY CA C 13 43.50 . . 1 . . . . 32 GLY CA . 11430 1 358 . 1 1 32 32 GLY N N 15 109.76 . . 1 . . . . 32 GLY N . 11430 1 359 . 1 1 33 33 LEU H H 1 7.50 . . 1 . . . . 33 LEU H . 11430 1 360 . 1 1 33 33 LEU HA H 1 4.34 . . 1 . . . . 33 LEU HA . 11430 1 361 . 1 1 33 33 LEU HB2 H 1 1.65 . . . . . . . 33 LEU HB2 . 11430 1 362 . 1 1 33 33 LEU HD11 H 1 0.73 . . . . . . . 33 LEU MD1 . 11430 1 363 . 1 1 33 33 LEU HD12 H 1 0.73 . . . . . . . 33 LEU MD1 . 11430 1 364 . 1 1 33 33 LEU HD13 H 1 0.73 . . . . . . . 33 LEU MD1 . 11430 1 365 . 1 1 33 33 LEU HD21 H 1 0.82 . . . . . . . 33 LEU MD2 . 11430 1 366 . 1 1 33 33 LEU HD22 H 1 0.82 . . . . . . . 33 LEU MD2 . 11430 1 367 . 1 1 33 33 LEU HD23 H 1 0.82 . . . . . . . 33 LEU MD2 . 11430 1 368 . 1 1 33 33 LEU HG H 1 1.76 . . 1 . . . . 33 LEU HG . 11430 1 369 . 1 1 33 33 LEU C C 13 176.48 . . 1 . . . . 33 LEU C . 11430 1 370 . 1 1 33 33 LEU CA C 13 53.69 . . 1 . . . . 33 LEU CA . 11430 1 371 . 1 1 33 33 LEU CB C 13 41.42 . . 1 . . . . 33 LEU CB . 11430 1 372 . 1 1 33 33 LEU CD1 C 13 24.92 . . . . . . . 33 LEU CD1 . 11430 1 373 . 1 1 33 33 LEU CD2 C 13 23.06 . . . . . . . 33 LEU CD2 . 11430 1 374 . 1 1 33 33 LEU N N 15 124.05 . . 1 . . . . 33 LEU N . 11430 1 375 . 1 1 34 34 SER H H 1 9.30 . . 1 . . . . 34 SER H . 11430 1 376 . 1 1 34 34 SER HA H 1 4.45 . . 1 . . . . 34 SER HA . 11430 1 377 . 1 1 34 34 SER HB2 H 1 4.15 . . . . . . . 34 SER HB2 . 11430 1 378 . 1 1 34 34 SER HB3 H 1 4.35 . . . . . . . 34 SER HB3 . 11430 1 379 . 1 1 34 34 SER C C 13 174.87 . . 1 . . . . 34 SER C . 11430 1 380 . 1 1 34 34 SER CA C 13 55.94 . . 1 . . . . 34 SER CA . 11430 1 381 . 1 1 34 34 SER CB C 13 63.90 . . 1 . . . . 34 SER CB . 11430 1 382 . 1 1 34 34 SER N N 15 123.19 . . 1 . . . . 34 SER N . 11430 1 383 . 1 1 35 35 ILE H H 1 9.07 . . 1 . . . . 35 ILE H . 11430 1 384 . 1 1 35 35 ILE HA H 1 3.86 . . 1 . . . . 35 ILE HA . 11430 1 385 . 1 1 35 35 ILE HB H 1 1.84 . . 1 . . . . 35 ILE HB . 11430 1 386 . 1 1 35 35 ILE HD11 H 1 0.90 . . 1 . . . . 35 ILE MD . 11430 1 387 . 1 1 35 35 ILE HD12 H 1 0.90 . . 1 . . . . 35 ILE MD . 11430 1 388 . 1 1 35 35 ILE HD13 H 1 0.90 . . 1 . . . . 35 ILE MD . 11430 1 389 . 1 1 35 35 ILE HG12 H 1 1.67 . . . . . . . 35 ILE HG12 . 11430 1 390 . 1 1 35 35 ILE HG13 H 1 1.25 . . . . . . . 35 ILE HG13 . 11430 1 391 . 1 1 35 35 ILE HG21 H 1 0.95 . . 1 . . . . 35 ILE MG . 11430 1 392 . 1 1 35 35 ILE HG22 H 1 0.95 . . 1 . . . . 35 ILE MG . 11430 1 393 . 1 1 35 35 ILE HG23 H 1 0.95 . . 1 . . . . 35 ILE MG . 11430 1 394 . 1 1 35 35 ILE C C 13 178.01 . . 1 . . . . 35 ILE C . 11430 1 395 . 1 1 35 35 ILE CA C 13 63.61 . . 1 . . . . 35 ILE CA . 11430 1 396 . 1 1 35 35 ILE CB C 13 36.43 . . 1 . . . . 35 ILE CB . 11430 1 397 . 1 1 35 35 ILE CD1 C 13 11.39 . . 1 . . . . 35 ILE CD1 . 11430 1 398 . 1 1 35 35 ILE CG1 C 13 15.57 . . 1 . . . . 35 ILE CG1 . 11430 1 399 . 1 1 35 35 ILE N N 15 126.04 . . 1 . . . . 35 ILE N . 11430 1 400 . 1 1 36 36 GLY H H 1 8.87 . . 1 . . . . 36 GLY H . 11430 1 401 . 1 1 36 36 GLY HA2 H 1 3.92 . . . . . . . 36 GLY HA2 . 11430 1 402 . 1 1 36 36 GLY C C 13 175.47 . . 1 . . . . 36 GLY C . 11430 1 403 . 1 1 36 36 GLY CA C 13 45.28 . . 1 . . . . 36 GLY CA . 11430 1 404 . 1 1 36 36 GLY N N 15 111.59 . . 1 . . . . 36 GLY N . 11430 1 405 . 1 1 37 37 ASP H H 1 8.14 . . 1 . . . . 37 ASP H . 11430 1 406 . 1 1 37 37 ASP HA H 1 4.55 . . 1 . . . . 37 ASP HA . 11430 1 407 . 1 1 37 37 ASP HB2 H 1 2.57 . . . . . . . 37 ASP HB2 . 11430 1 408 . 1 1 37 37 ASP HB3 H 1 2.76 . . . . . . . 37 ASP HB3 . 11430 1 409 . 1 1 37 37 ASP C C 13 177.93 . . 1 . . . . 37 ASP C . 11430 1 410 . 1 1 37 37 ASP CA C 13 55.41 . . 1 . . . . 37 ASP CA . 11430 1 411 . 1 1 37 37 ASP CB C 13 38.54 . . 1 . . . . 37 ASP CB . 11430 1 412 . 1 1 37 37 ASP N N 15 124.92 . . 1 . . . . 37 ASP N . 11430 1 413 . 1 1 38 38 THR H H 1 8.48 . . 1 . . . . 38 THR H . 11430 1 414 . 1 1 38 38 THR HA H 1 4.37 . . 1 . . . . 38 THR HA . 11430 1 415 . 1 1 38 38 THR HB H 1 3.75 . . 1 . . . . 38 THR HB . 11430 1 416 . 1 1 38 38 THR HG21 H 1 1.15 . . 1 . . . . 38 THR HG2 . 11430 1 417 . 1 1 38 38 THR HG22 H 1 1.15 . . 1 . . . . 38 THR HG2 . 11430 1 418 . 1 1 38 38 THR HG23 H 1 1.15 . . 1 . . . . 38 THR HG2 . 11430 1 419 . 1 1 38 38 THR C C 13 173.60 . . 1 . . . . 38 THR C . 11430 1 420 . 1 1 38 38 THR CB C 13 66.55 . . 1 . . . . 38 THR CB . 11430 1 421 . 1 1 38 38 THR CG2 C 13 19.34 . . 1 . . . . 38 THR CG2 . 11430 1 422 . 1 1 38 38 THR N N 15 122.19 . . 1 . . . . 38 THR N . 11430 1 423 . 1 1 39 39 ALA H H 1 7.85 . . 1 . . . . 39 ALA H . 11430 1 424 . 1 1 39 39 ALA HA H 1 4.12 . . 1 . . . . 39 ALA HA . 11430 1 425 . 1 1 39 39 ALA HB1 H 1 1.58 . . 1 . . . . 39 ALA MB . 11430 1 426 . 1 1 39 39 ALA HB2 H 1 1.58 . . 1 . . . . 39 ALA MB . 11430 1 427 . 1 1 39 39 ALA HB3 H 1 1.58 . . 1 . . . . 39 ALA MB . 11430 1 428 . 1 1 39 39 ALA C C 13 179.59 . . 1 . . . . 39 ALA C . 11430 1 429 . 1 1 39 39 ALA CA C 13 53.95 . . 1 . . . . 39 ALA CA . 11430 1 430 . 1 1 39 39 ALA CB C 13 16.27 . . 1 . . . . 39 ALA CB . 11430 1 431 . 1 1 39 39 ALA N N 15 125.30 . . 1 . . . . 39 ALA N . 11430 1 432 . 1 1 40 40 LYS H H 1 7.97 . . 1 . . . . 40 LYS H . 11430 1 433 . 1 1 40 40 LYS HA H 1 4.09 . . 1 . . . . 40 LYS HA . 11430 1 434 . 1 1 40 40 LYS HB2 H 1 2.07 . . . . . . . 40 LYS HB2 . 11430 1 435 . 1 1 40 40 LYS HB3 H 1 1.95 . . . . . . . 40 LYS HB3 . 11430 1 436 . 1 1 40 40 LYS HD2 H 1 1.69 . . 2 . . . . 40 LYS HD2 . 11430 1 437 . 1 1 40 40 LYS HD3 H 1 1.69 . . 2 . . . . 40 LYS HD3 . 11430 1 438 . 1 1 40 40 LYS HE2 H 1 2.96 . . 2 . . . . 40 LYS HE2 . 11430 1 439 . 1 1 40 40 LYS HE3 H 1 2.96 . . 2 . . . . 40 LYS HE3 . 11430 1 440 . 1 1 40 40 LYS HG2 H 1 1.52 . . . . . . . 40 LYS HG2 . 11430 1 441 . 1 1 40 40 LYS HG3 H 1 1.37 . . . . . . . 40 LYS HG3 . 11430 1 442 . 1 1 40 40 LYS C C 13 177.64 . . 1 . . . . 40 LYS C . 11430 1 443 . 1 1 40 40 LYS CA C 13 57.95 . . 1 . . . . 40 LYS CA . 11430 1 444 . 1 1 40 40 LYS CB C 13 31.18 . . 1 . . . . 40 LYS CB . 11430 1 445 . 1 1 40 40 LYS N N 15 121.48 . . 1 . . . . 40 LYS N . 11430 1 446 . 1 1 41 41 LYS H H 1 7.98 . . 1 . . . . 41 LYS H . 11430 1 447 . 1 1 41 41 LYS HA H 1 4.22 . . 1 . . . . 41 LYS HA . 11430 1 448 . 1 1 41 41 LYS HB2 H 1 1.96 . . . . . . . 41 LYS HB2 . 11430 1 449 . 1 1 41 41 LYS HD2 H 1 1.69 . . 2 . . . . 41 LYS HD2 . 11430 1 450 . 1 1 41 41 LYS HD3 H 1 1.69 . . 2 . . . . 41 LYS HD3 . 11430 1 451 . 1 1 41 41 LYS HE2 H 1 2.97 . . . . . . . 41 LYS HE2 . 11430 1 452 . 1 1 41 41 LYS HE3 H 1 2.80 . . . . . . . 41 LYS HE3 . 11430 1 453 . 1 1 41 41 LYS HG2 H 1 1.44 . . 2 . . . . 41 LYS HG2 . 11430 1 454 . 1 1 41 41 LYS HG3 H 1 1.44 . . 2 . . . . 41 LYS HG3 . 11430 1 455 . 1 1 41 41 LYS C C 13 177.46 . . 1 . . . . 41 LYS C . 11430 1 456 . 1 1 41 41 LYS CA C 13 56.99 . . 1 . . . . 41 LYS CA . 11430 1 457 . 1 1 41 41 LYS CB C 13 30.17 . . 1 . . . . 41 LYS CB . 11430 1 458 . 1 1 41 41 LYS N N 15 122.31 . . 1 . . . . 41 LYS N . 11430 1 459 . 1 1 42 42 LEU H H 1 8.42 . . 1 . . . . 42 LEU H . 11430 1 460 . 1 1 42 42 LEU HA H 1 4.31 . . 1 . . . . 42 LEU HA . 11430 1 461 . 1 1 42 42 LEU HB2 H 1 1.84 . . . . . . . 42 LEU HB2 . 11430 1 462 . 1 1 42 42 LEU HB3 H 1 2.10 . . . . . . . 42 LEU HB3 . 11430 1 463 . 1 1 42 42 LEU HD11 H 1 0.76 . . . . . . . 42 LEU MD1 . 11430 1 464 . 1 1 42 42 LEU HD12 H 1 0.76 . . . . . . . 42 LEU MD1 . 11430 1 465 . 1 1 42 42 LEU HD13 H 1 0.76 . . . . . . . 42 LEU MD1 . 11430 1 466 . 1 1 42 42 LEU HD21 H 1 0.83 . . . . . . . 42 LEU MD2 . 11430 1 467 . 1 1 42 42 LEU HD22 H 1 0.83 . . . . . . . 42 LEU MD2 . 11430 1 468 . 1 1 42 42 LEU HD23 H 1 0.83 . . . . . . . 42 LEU MD2 . 11430 1 469 . 1 1 42 42 LEU HG H 1 1.66 . . 1 . . . . 42 LEU HG . 11430 1 470 . 1 1 42 42 LEU C C 13 178.23 . . 1 . . . . 42 LEU C . 11430 1 471 . 1 1 42 42 LEU CA C 13 56.90 . . 1 . . . . 42 LEU CA . 11430 1 472 . 1 1 42 42 LEU CB C 13 40.09 . . 1 . . . . 42 LEU CB . 11430 1 473 . 1 1 42 42 LEU CD1 C 13 23.20 . . . . . . . 42 LEU CD1 . 11430 1 474 . 1 1 42 42 LEU CD2 C 13 23.50 . . . . . . . 42 LEU CD2 . 11430 1 475 . 1 1 42 42 LEU N N 15 121.33 . . 1 . . . . 42 LEU N . 11430 1 476 . 1 1 43 43 GLY H H 1 8.28 . . 1 . . . . 43 GLY H . 11430 1 477 . 1 1 43 43 GLY HA2 H 1 4.05 . . . . . . . 43 GLY HA2 . 11430 1 478 . 1 1 43 43 GLY HA3 H 1 3.91 . . . . . . . 43 GLY HA3 . 11430 1 479 . 1 1 43 43 GLY C C 13 175.44 . . 1 . . . . 43 GLY C . 11430 1 480 . 1 1 43 43 GLY CA C 13 45.92 . . 1 . . . . 43 GLY CA . 11430 1 481 . 1 1 43 43 GLY N N 15 107.64 . . 1 . . . . 43 GLY N . 11430 1 482 . 1 1 44 44 GLU H H 1 8.15 . . 1 . . . . 44 GLU H . 11430 1 483 . 1 1 44 44 GLU HA H 1 4.07 . . 1 . . . . 44 GLU HA . 11430 1 484 . 1 1 44 44 GLU HB2 H 1 2.29 . . . . . . . 44 GLU HB2 . 11430 1 485 . 1 1 44 44 GLU HB3 H 1 2.12 . . . . . . . 44 GLU HB3 . 11430 1 486 . 1 1 44 44 GLU HG2 H 1 2.43 . . 2 . . . . 44 GLU HG2 . 11430 1 487 . 1 1 44 44 GLU HG3 H 1 2.43 . . 2 . . . . 44 GLU HG3 . 11430 1 488 . 1 1 44 44 GLU C C 13 177.91 . . 1 . . . . 44 GLU C . 11430 1 489 . 1 1 44 44 GLU CA C 13 57.67 . . 1 . . . . 44 GLU CA . 11430 1 490 . 1 1 44 44 GLU CB C 13 27.78 . . 1 . . . . 44 GLU CB . 11430 1 491 . 1 1 44 44 GLU N N 15 125.90 . . 1 . . . . 44 GLU N . 11430 1 492 . 1 1 45 45 MET H H 1 8.72 . . 1 . . . . 45 MET H . 11430 1 493 . 1 1 45 45 MET HA H 1 4.10 . . 1 . . . . 45 MET HA . 11430 1 494 . 1 1 45 45 MET HB2 H 1 2.42 . . . . . . . 45 MET HB2 . 11430 1 495 . 1 1 45 45 MET HE1 H 1 2.10 . . 1 . . . . 45 MET ME . 11430 1 496 . 1 1 45 45 MET HE2 H 1 2.10 . . 1 . . . . 45 MET ME . 11430 1 497 . 1 1 45 45 MET HE3 H 1 2.10 . . 1 . . . . 45 MET ME . 11430 1 498 . 1 1 45 45 MET HG2 H 1 2.86 . . . . . . . 45 MET HG2 . 11430 1 499 . 1 1 45 45 MET HG3 H 1 2.64 . . . . . . . 45 MET HG3 . 11430 1 500 . 1 1 45 45 MET C C 13 178.03 . . 1 . . . . 45 MET C . 11430 1 501 . 1 1 45 45 MET CA C 13 57.69 . . 1 . . . . 45 MET CA . 11430 1 502 . 1 1 45 45 MET CB C 13 32.70 . . 1 . . . . 45 MET CB . 11430 1 503 . 1 1 45 45 MET N N 15 120.94 . . 1 . . . . 45 MET N . 11430 1 504 . 1 1 46 46 TRP H H 1 8.54 . . 1 . . . . 46 TRP H . 11430 1 505 . 1 1 46 46 TRP HA H 1 3.84 . . 1 . . . . 46 TRP HA . 11430 1 506 . 1 1 46 46 TRP HB2 H 1 3.18 . . . . . . . 46 TRP HB2 . 11430 1 507 . 1 1 46 46 TRP HB3 H 1 3.11 . . . . . . . 46 TRP HB3 . 11430 1 508 . 1 1 46 46 TRP HD1 H 1 6.94 . . 1 . . . . 46 TRP HD1 . 11430 1 509 . 1 1 46 46 TRP HE3 H 1 5.59 . . 1 . . . . 46 TRP HE3 . 11430 1 510 . 1 1 46 46 TRP HH2 H 1 7.11 . . 1 . . . . 46 TRP HH2 . 11430 1 511 . 1 1 46 46 TRP HZ2 H 1 7.57 . . 1 . . . . 46 TRP HZ2 . 11430 1 512 . 1 1 46 46 TRP HZ3 H 1 6.56 . . 1 . . . . 46 TRP HZ3 . 11430 1 513 . 1 1 46 46 TRP C C 13 176.55 . . 1 . . . . 46 TRP C . 11430 1 514 . 1 1 46 46 TRP CA C 13 57.90 . . 1 . . . . 46 TRP CA . 11430 1 515 . 1 1 46 46 TRP CB C 13 29.25 . . 1 . . . . 46 TRP CB . 11430 1 516 . 1 1 46 46 TRP CD1 C 13 126.28 . . 1 . . . . 46 TRP CD1 . 11430 1 517 . 1 1 46 46 TRP CE3 C 13 118.73 . . 1 . . . . 46 TRP CE3 . 11430 1 518 . 1 1 46 46 TRP CH2 C 13 122.06 . . 1 . . . . 46 TRP CH2 . 11430 1 519 . 1 1 46 46 TRP CZ2 C 13 112.47 . . 1 . . . . 46 TRP CZ2 . 11430 1 520 . 1 1 46 46 TRP CZ3 C 13 119.91 . . 1 . . . . 46 TRP CZ3 . 11430 1 521 . 1 1 46 46 TRP N N 15 122.17 . . 1 . . . . 46 TRP N . 11430 1 522 . 1 1 47 47 SER H H 1 7.86 . . 1 . . . . 47 SER H . 11430 1 523 . 1 1 47 47 SER HA H 1 4.02 . . 1 . . . . 47 SER HA . 11430 1 524 . 1 1 47 47 SER HB2 H 1 4.00 . . . . . . . 47 SER HB2 . 11430 1 525 . 1 1 47 47 SER C C 13 173.65 . . 1 . . . . 47 SER C . 11430 1 526 . 1 1 47 47 SER CA C 13 59.71 . . 1 . . . . 47 SER CA . 11430 1 527 . 1 1 47 47 SER CB C 13 61.55 . . 1 . . . . 47 SER CB . 11430 1 528 . 1 1 47 47 SER N N 15 114.93 . . 1 . . . . 47 SER N . 11430 1 529 . 1 1 48 48 GLU H H 1 7.32 . . 1 . . . . 48 GLU H . 11430 1 530 . 1 1 48 48 GLU HA H 1 4.20 . . 1 . . . . 48 GLU HA . 11430 1 531 . 1 1 48 48 GLU HB2 H 1 2.10 . . . . . . . 48 GLU HB2 . 11430 1 532 . 1 1 48 48 GLU HB3 H 1 2.04 . . . . . . . 48 GLU HB3 . 11430 1 533 . 1 1 48 48 GLU HG2 H 1 2.43 . . . . . . . 48 GLU HG2 . 11430 1 534 . 1 1 48 48 GLU HG3 H 1 2.35 . . . . . . . 48 GLU HG3 . 11430 1 535 . 1 1 48 48 GLU C C 13 175.21 . . 1 . . . . 48 GLU C . 11430 1 536 . 1 1 48 48 GLU CA C 13 54.60 . . 1 . . . . 48 GLU CA . 11430 1 537 . 1 1 48 48 GLU CB C 13 28.28 . . 1 . . . . 48 GLU CB . 11430 1 538 . 1 1 48 48 GLU N N 15 119.65 . . 1 . . . . 48 GLU N . 11430 1 539 . 1 1 49 49 GLN H H 1 7.13 . . 1 . . . . 49 GLN H . 11430 1 540 . 1 1 49 49 GLN HA H 1 4.23 . . 1 . . . . 49 GLN HA . 11430 1 541 . 1 1 49 49 GLN HB2 H 1 1.52 . . . . . . . 49 GLN HB2 . 11430 1 542 . 1 1 49 49 GLN HB3 H 1 1.88 . . . . . . . 49 GLN HB3 . 11430 1 543 . 1 1 49 49 GLN HE21 H 1 6.66 . . . . . . . 49 GLN HE21 . 11430 1 544 . 1 1 49 49 GLN HE22 H 1 6.66 . . . . . . . 49 GLN HE22 . 11430 1 545 . 1 1 49 49 GLN HG2 H 1 1.95 . . 2 . . . . 49 GLN HG2 . 11430 1 546 . 1 1 49 49 GLN HG3 H 1 1.95 . . 2 . . . . 49 GLN HG3 . 11430 1 547 . 1 1 49 49 GLN C C 13 174.80 . . 1 . . . . 49 GLN C . 11430 1 548 . 1 1 49 49 GLN CA C 13 53.51 . . 1 . . . . 49 GLN CA . 11430 1 549 . 1 1 49 49 GLN CB C 13 27.96 . . 1 . . . . 49 GLN CB . 11430 1 550 . 1 1 49 49 GLN N N 15 120.66 . . 1 . . . . 49 GLN N . 11430 1 551 . 1 1 50 50 SER H H 1 9.33 . . 1 . . . . 50 SER H . 11430 1 552 . 1 1 50 50 SER HA H 1 4.32 . . 1 . . . . 50 SER HA . 11430 1 553 . 1 1 50 50 SER HB2 H 1 4.06 . . . . . . . 50 SER HB2 . 11430 1 554 . 1 1 50 50 SER HB3 H 1 4.31 . . . . . . . 50 SER HB3 . 11430 1 555 . 1 1 50 50 SER C C 13 172.90 . . 1 . . . . 50 SER C . 11430 1 556 . 1 1 50 50 SER CA C 13 55.82 . . 1 . . . . 50 SER CA . 11430 1 557 . 1 1 50 50 SER CB C 13 63.42 . . 1 . . . . 50 SER CB . 11430 1 558 . 1 1 50 50 SER N N 15 122.57 . . 1 . . . . 50 SER N . 11430 1 559 . 1 1 51 51 ALA H H 1 8.79 . . 1 . . . . 51 ALA H . 11430 1 560 . 1 1 51 51 ALA HA H 1 3.89 . . 1 . . . . 51 ALA HA . 11430 1 561 . 1 1 51 51 ALA HB1 H 1 1.42 . . 1 . . . . 51 ALA MB . 11430 1 562 . 1 1 51 51 ALA HB2 H 1 1.42 . . 1 . . . . 51 ALA MB . 11430 1 563 . 1 1 51 51 ALA HB3 H 1 1.42 . . 1 . . . . 51 ALA MB . 11430 1 564 . 1 1 51 51 ALA C C 13 179.54 . . 1 . . . . 51 ALA C . 11430 1 565 . 1 1 51 51 ALA CA C 13 54.31 . . 1 . . . . 51 ALA CA . 11430 1 566 . 1 1 51 51 ALA CB C 13 16.19 . . 1 . . . . 51 ALA CB . 11430 1 567 . 1 1 51 51 ALA N N 15 125.07 . . 1 . . . . 51 ALA N . 11430 1 568 . 1 1 52 52 LYS H H 1 8.16 . . 1 . . . . 52 LYS H . 11430 1 569 . 1 1 52 52 LYS HA H 1 4.04 . . 1 . . . . 52 LYS HA . 11430 1 570 . 1 1 52 52 LYS HB2 H 1 1.72 . . . . . . . 52 LYS HB2 . 11430 1 571 . 1 1 52 52 LYS HB3 H 1 1.83 . . . . . . . 52 LYS HB3 . 11430 1 572 . 1 1 52 52 LYS HD2 H 1 1.66 . . 2 . . . . 52 LYS HD2 . 11430 1 573 . 1 1 52 52 LYS HD3 H 1 1.66 . . 2 . . . . 52 LYS HD3 . 11430 1 574 . 1 1 52 52 LYS HE2 H 1 2.98 . . 2 . . . . 52 LYS HE2 . 11430 1 575 . 1 1 52 52 LYS HE3 H 1 2.98 . . 2 . . . . 52 LYS HE3 . 11430 1 576 . 1 1 52 52 LYS HG2 H 1 1.42 . . 2 . . . . 52 LYS HG2 . 11430 1 577 . 1 1 52 52 LYS HG3 H 1 1.42 . . 2 . . . . 52 LYS HG3 . 11430 1 578 . 1 1 52 52 LYS C C 13 176.97 . . 1 . . . . 52 LYS C . 11430 1 579 . 1 1 52 52 LYS CA C 13 57.53 . . 1 . . . . 52 LYS CA . 11430 1 580 . 1 1 52 52 LYS CB C 13 30.58 . . 1 . . . . 52 LYS CB . 11430 1 581 . 1 1 52 52 LYS N N 15 119.18 . . 1 . . . . 52 LYS N . 11430 1 582 . 1 1 53 53 ASP H H 1 7.63 . . 1 . . . . 53 ASP H . 11430 1 583 . 1 1 53 53 ASP HA H 1 4.62 . . 1 . . . . 53 ASP HA . 11430 1 584 . 1 1 53 53 ASP HB2 H 1 3.04 . . . . . . . 53 ASP HB2 . 11430 1 585 . 1 1 53 53 ASP HB3 H 1 2.83 . . . . . . . 53 ASP HB3 . 11430 1 586 . 1 1 53 53 ASP C C 13 177.34 . . 1 . . . . 53 ASP C . 11430 1 587 . 1 1 53 53 ASP CA C 13 54.99 . . 1 . . . . 53 ASP CA . 11430 1 588 . 1 1 53 53 ASP CB C 13 39.17 . . 1 . . . . 53 ASP CB . 11430 1 589 . 1 1 53 53 ASP N N 15 121.77 . . 1 . . . . 53 ASP N . 11430 1 590 . 1 1 54 54 LYS H H 1 7.93 . . 1 . . . . 54 LYS H . 11430 1 591 . 1 1 54 54 LYS HA H 1 4.31 . . 1 . . . . 54 LYS HA . 11430 1 592 . 1 1 54 54 LYS HB2 H 1 1.68 . . . . . . . 54 LYS HB2 . 11430 1 593 . 1 1 54 54 LYS HB3 H 1 1.62 . . . . . . . 54 LYS HB3 . 11430 1 594 . 1 1 54 54 LYS HD2 H 1 1.77 . . 2 . . . . 54 LYS HD2 . 11430 1 595 . 1 1 54 54 LYS HD3 H 1 1.77 . . 2 . . . . 54 LYS HD3 . 11430 1 596 . 1 1 54 54 LYS HE2 H 1 2.99 . . 2 . . . . 54 LYS HE2 . 11430 1 597 . 1 1 54 54 LYS HE3 H 1 2.99 . . 2 . . . . 54 LYS HE3 . 11430 1 598 . 1 1 54 54 LYS HG2 H 1 0.83 . . . . . . . 54 LYS HG2 . 11430 1 599 . 1 1 54 54 LYS HG3 H 1 1.10 . . . . . . . 54 LYS HG3 . 11430 1 600 . 1 1 54 54 LYS C C 13 177.04 . . 1 . . . . 54 LYS C . 11430 1 601 . 1 1 54 54 LYS CA C 13 57.76 . . 1 . . . . 54 LYS CA . 11430 1 602 . 1 1 54 54 LYS CB C 13 32.33 . . 1 . . . . 54 LYS CB . 11430 1 603 . 1 1 54 54 LYS N N 15 119.05 . . 1 . . . . 54 LYS N . 11430 1 604 . 1 1 55 55 GLN H H 1 7.54 . . 1 . . . . 55 GLN H . 11430 1 605 . 1 1 55 55 GLN HA H 1 4.32 . . 1 . . . . 55 GLN HA . 11430 1 606 . 1 1 55 55 GLN HB2 H 1 2.59 . . . . . . . 55 GLN HB2 . 11430 1 607 . 1 1 55 55 GLN HB3 H 1 2.41 . . . . . . . 55 GLN HB3 . 11430 1 608 . 1 1 55 55 GLN HE21 H 1 7.52 . . . . . . . 55 GLN HE21 . 11430 1 609 . 1 1 55 55 GLN HE22 H 1 6.83 . . . . . . . 55 GLN HE22 . 11430 1 610 . 1 1 55 55 GLN HG2 H 1 2.31 . . 2 . . . . 55 GLN HG2 . 11430 1 611 . 1 1 55 55 GLN HG3 H 1 2.31 . . 2 . . . . 55 GLN HG3 . 11430 1 612 . 1 1 55 55 GLN CA C 13 59.42 . . 1 . . . . 55 GLN CA . 11430 1 613 . 1 1 55 55 GLN CB C 13 25.09 . . 1 . . . . 55 GLN CB . 11430 1 614 . 1 1 55 55 GLN N N 15 120.95 . . 1 . . . . 55 GLN N . 11430 1 615 . 1 1 56 56 PRO HA H 1 4.33 . . 1 . . . . 56 PRO HA . 11430 1 616 . 1 1 56 56 PRO HB2 H 1 2.22 . . . . . . . 56 PRO HB2 . 11430 1 617 . 1 1 56 56 PRO HB3 H 1 1.36 . . . . . . . 56 PRO HB3 . 11430 1 618 . 1 1 56 56 PRO HD2 H 1 3.82 . . 2 . . . . 56 PRO HD2 . 11430 1 619 . 1 1 56 56 PRO HD3 H 1 3.82 . . 2 . . . . 56 PRO HD3 . 11430 1 620 . 1 1 56 56 PRO HG2 H 1 2.01 . . 2 . . . . 56 PRO HG2 . 11430 1 621 . 1 1 56 56 PRO HG3 H 1 2.01 . . 2 . . . . 56 PRO HG3 . 11430 1 622 . 1 1 56 56 PRO C C 13 178.54 . . 1 . . . . 56 PRO C . 11430 1 623 . 1 1 56 56 PRO CA C 13 64.74 . . 1 . . . . 56 PRO CA . 11430 1 624 . 1 1 56 56 PRO CB C 13 29.50 . . 1 . . . . 56 PRO CB . 11430 1 625 . 1 1 57 57 TYR H H 1 7.18 . . 1 . . . . 57 TYR H . 11430 1 626 . 1 1 57 57 TYR HA H 1 4.25 . . 1 . . . . 57 TYR HA . 11430 1 627 . 1 1 57 57 TYR HB2 H 1 3.68 . . . . . . . 57 TYR HB2 . 11430 1 628 . 1 1 57 57 TYR HB3 H 1 3.49 . . . . . . . 57 TYR HB3 . 11430 1 629 . 1 1 57 57 TYR HD1 H 1 7.51 . . 3 . . . . 57 TYR HD1 . 11430 1 630 . 1 1 57 57 TYR HD2 H 1 7.51 . . 3 . . . . 57 TYR HD2 . 11430 1 631 . 1 1 57 57 TYR HE1 H 1 7.31 . . 3 . . . . 57 TYR HE1 . 11430 1 632 . 1 1 57 57 TYR HE2 H 1 7.31 . . 3 . . . . 57 TYR HE2 . 11430 1 633 . 1 1 57 57 TYR C C 13 176.47 . . 1 . . . . 57 TYR C . 11430 1 634 . 1 1 57 57 TYR CA C 13 60.18 . . 1 . . . . 57 TYR CA . 11430 1 635 . 1 1 57 57 TYR CB C 13 36.98 . . 1 . . . . 57 TYR CB . 11430 1 636 . 1 1 57 57 TYR CD1 C 13 131.35 . . 3 . . . . 57 TYR CD1 . 11430 1 637 . 1 1 57 57 TYR CD2 C 13 131.35 . . 3 . . . . 57 TYR CD2 . 11430 1 638 . 1 1 57 57 TYR CE1 C 13 117.69 . . 3 . . . . 57 TYR CE1 . 11430 1 639 . 1 1 57 57 TYR CE2 C 13 117.69 . . 3 . . . . 57 TYR CE2 . 11430 1 640 . 1 1 57 57 TYR CG C 13 129.11 . . 1 . . . . 57 TYR CG . 11430 1 641 . 1 1 57 57 TYR N N 15 117.28 . . 1 . . . . 57 TYR N . 11430 1 642 . 1 1 58 58 GLU H H 1 8.18 . . 1 . . . . 58 GLU H . 11430 1 643 . 1 1 58 58 GLU HA H 1 4.25 . . 1 . . . . 58 GLU HA . 11430 1 644 . 1 1 58 58 GLU HB2 H 1 2.34 . . . . . . . 58 GLU HB2 . 11430 1 645 . 1 1 58 58 GLU HB3 H 1 2.17 . . . . . . . 58 GLU HB3 . 11430 1 646 . 1 1 58 58 GLU HG2 H 1 2.51 . . 2 . . . . 58 GLU HG2 . 11430 1 647 . 1 1 58 58 GLU HG3 H 1 2.51 . . 2 . . . . 58 GLU HG3 . 11430 1 648 . 1 1 58 58 GLU C C 13 178.92 . . 1 . . . . 58 GLU C . 11430 1 649 . 1 1 58 58 GLU CA C 13 57.89 . . 1 . . . . 58 GLU CA . 11430 1 650 . 1 1 58 58 GLU CB C 13 27.82 . . 1 . . . . 58 GLU CB . 11430 1 651 . 1 1 58 58 GLU N N 15 121.25 . . 1 . . . . 58 GLU N . 11430 1 652 . 1 1 59 59 GLN H H 1 9.11 . . 1 . . . . 59 GLN H . 11430 1 653 . 1 1 59 59 GLN HA H 1 4.18 . . 1 . . . . 59 GLN HA . 11430 1 654 . 1 1 59 59 GLN HB2 H 1 2.07 . . . . . . . 59 GLN HB2 . 11430 1 655 . 1 1 59 59 GLN HB3 H 1 2.19 . . . . . . . 59 GLN HB3 . 11430 1 656 . 1 1 59 59 GLN HE21 H 1 7.52 . . . . . . . 59 GLN HE21 . 11430 1 657 . 1 1 59 59 GLN HE22 H 1 6.83 . . . . . . . 59 GLN HE22 . 11430 1 658 . 1 1 59 59 GLN HG2 H 1 2.58 . . . . . . . 59 GLN HG2 . 11430 1 659 . 1 1 59 59 GLN HG3 H 1 2.42 . . . . . . . 59 GLN HG3 . 11430 1 660 . 1 1 59 59 GLN C C 13 177.38 . . 1 . . . . 59 GLN C . 11430 1 661 . 1 1 59 59 GLN CA C 13 57.42 . . 1 . . . . 59 GLN CA . 11430 1 662 . 1 1 59 59 GLN CB C 13 26.75 . . 1 . . . . 59 GLN CB . 11430 1 663 . 1 1 59 59 GLN N N 15 121.89 . . 1 . . . . 59 GLN N . 11430 1 664 . 1 1 59 59 GLN NE2 N 15 113.01 . . 1 . . . . 59 GLN NE2 . 11430 1 665 . 1 1 60 60 LYS H H 1 7.78 . . 1 . . . . 60 LYS H . 11430 1 666 . 1 1 60 60 LYS HA H 1 4.10 . . 1 . . . . 60 LYS HA . 11430 1 667 . 1 1 60 60 LYS HB2 H 1 1.93 . . . . . . . 60 LYS HB2 . 11430 1 668 . 1 1 60 60 LYS HD2 H 1 1.73 . . . . . . . 60 LYS HD2 . 11430 1 669 . 1 1 60 60 LYS HD3 H 1 1.65 . . . . . . . 60 LYS HD3 . 11430 1 670 . 1 1 60 60 LYS HE2 H 1 2.92 . . 2 . . . . 60 LYS HE2 . 11430 1 671 . 1 1 60 60 LYS HE3 H 1 2.92 . . 2 . . . . 60 LYS HE3 . 11430 1 672 . 1 1 60 60 LYS HG2 H 1 1.42 . . 2 . . . . 60 LYS HG2 . 11430 1 673 . 1 1 60 60 LYS HG3 H 1 1.42 . . 2 . . . . 60 LYS HG3 . 11430 1 674 . 1 1 60 60 LYS C C 13 177.37 . . 1 . . . . 60 LYS C . 11430 1 675 . 1 1 60 60 LYS CA C 13 58.13 . . 1 . . . . 60 LYS CA . 11430 1 676 . 1 1 60 60 LYS CB C 13 31.00 . . 1 . . . . 60 LYS CB . 11430 1 677 . 1 1 60 60 LYS N N 15 122.27 . . 1 . . . . 60 LYS N . 11430 1 678 . 1 1 61 61 ALA H H 1 8.39 . . 1 . . . . 61 ALA H . 11430 1 679 . 1 1 61 61 ALA HA H 1 3.99 . . 1 . . . . 61 ALA HA . 11430 1 680 . 1 1 61 61 ALA HB1 H 1 1.61 . . 1 . . . . 61 ALA MB . 11430 1 681 . 1 1 61 61 ALA HB2 H 1 1.61 . . 1 . . . . 61 ALA MB . 11430 1 682 . 1 1 61 61 ALA HB3 H 1 1.61 . . 1 . . . . 61 ALA MB . 11430 1 683 . 1 1 61 61 ALA C C 13 178.98 . . 1 . . . . 61 ALA C . 11430 1 684 . 1 1 61 61 ALA CA C 13 54.17 . . 1 . . . . 61 ALA CA . 11430 1 685 . 1 1 61 61 ALA CB C 13 16.21 . . 1 . . . . 61 ALA CB . 11430 1 686 . 1 1 61 61 ALA N N 15 122.35 . . 1 . . . . 61 ALA N . 11430 1 687 . 1 1 62 62 ALA H H 1 8.27 . . 1 . . . . 62 ALA H . 11430 1 688 . 1 1 62 62 ALA HA H 1 4.25 . . 1 . . . . 62 ALA HA . 11430 1 689 . 1 1 62 62 ALA HB1 H 1 1.62 . . 1 . . . . 62 ALA MB . 11430 1 690 . 1 1 62 62 ALA HB2 H 1 1.62 . . 1 . . . . 62 ALA MB . 11430 1 691 . 1 1 62 62 ALA HB3 H 1 1.62 . . 1 . . . . 62 ALA MB . 11430 1 692 . 1 1 62 62 ALA C C 13 179.25 . . 1 . . . . 62 ALA C . 11430 1 693 . 1 1 62 62 ALA CA C 13 53.95 . . 1 . . . . 62 ALA CA . 11430 1 694 . 1 1 62 62 ALA CB C 13 16.32 . . 1 . . . . 62 ALA CB . 11430 1 695 . 1 1 62 62 ALA N N 15 123.62 . . 1 . . . . 62 ALA N . 11430 1 696 . 1 1 63 63 LYS H H 1 7.96 . . 1 . . . . 63 LYS H . 11430 1 697 . 1 1 63 63 LYS HA H 1 4.21 . . 1 . . . . 63 LYS HA . 11430 1 698 . 1 1 63 63 LYS HB2 H 1 2.00 . . . . . . . 63 LYS HB2 . 11430 1 699 . 1 1 63 63 LYS HD2 H 1 1.69 . . 2 . . . . 63 LYS HD2 . 11430 1 700 . 1 1 63 63 LYS HD3 H 1 1.69 . . 2 . . . . 63 LYS HD3 . 11430 1 701 . 1 1 63 63 LYS HE2 H 1 2.97 . . 2 . . . . 63 LYS HE2 . 11430 1 702 . 1 1 63 63 LYS HE3 H 1 2.97 . . 2 . . . . 63 LYS HE3 . 11430 1 703 . 1 1 63 63 LYS HG2 H 1 1.52 . . . . . . . 63 LYS HG2 . 11430 1 704 . 1 1 63 63 LYS HG3 H 1 1.47 . . . . . . . 63 LYS HG3 . 11430 1 705 . 1 1 63 63 LYS C C 13 178.84 . . 1 . . . . 63 LYS C . 11430 1 706 . 1 1 63 63 LYS CA C 13 57.30 . . 1 . . . . 63 LYS CA . 11430 1 707 . 1 1 63 63 LYS CB C 13 30.36 . . 1 . . . . 63 LYS CB . 11430 1 708 . 1 1 63 63 LYS N N 15 121.87 . . 1 . . . . 63 LYS N . 11430 1 709 . 1 1 64 64 LEU H H 1 8.22 . . 1 . . . . 64 LEU H . 11430 1 710 . 1 1 64 64 LEU HA H 1 4.21 . . 1 . . . . 64 LEU HA . 11430 1 711 . 1 1 64 64 LEU HB2 H 1 2.00 . . . . . . . 64 LEU HB2 . 11430 1 712 . 1 1 64 64 LEU HB3 H 1 1.46 . . . . . . . 64 LEU HB3 . 11430 1 713 . 1 1 64 64 LEU HD11 H 1 0.96 . . . . . . . 64 LEU MD1 . 11430 1 714 . 1 1 64 64 LEU HD12 H 1 0.96 . . . . . . . 64 LEU MD1 . 11430 1 715 . 1 1 64 64 LEU HD13 H 1 0.96 . . . . . . . 64 LEU MD1 . 11430 1 716 . 1 1 64 64 LEU HD21 H 1 1.00 . . . . . . . 64 LEU MD2 . 11430 1 717 . 1 1 64 64 LEU HD22 H 1 1.00 . . . . . . . 64 LEU MD2 . 11430 1 718 . 1 1 64 64 LEU HD23 H 1 1.00 . . . . . . . 64 LEU MD2 . 11430 1 719 . 1 1 64 64 LEU HG H 1 1.40 . . 1 . . . . 64 LEU HG . 11430 1 720 . 1 1 64 64 LEU C C 13 178.59 . . 1 . . . . 64 LEU C . 11430 1 721 . 1 1 64 64 LEU CA C 13 56.13 . . 1 . . . . 64 LEU CA . 11430 1 722 . 1 1 64 64 LEU CB C 13 40.18 . . 1 . . . . 64 LEU CB . 11430 1 723 . 1 1 64 64 LEU CD1 C 13 24.88 . . . . . . . 64 LEU CD1 . 11430 1 724 . 1 1 64 64 LEU CD2 C 13 20.82 . . . . . . . 64 LEU CD2 . 11430 1 725 . 1 1 64 64 LEU N N 15 121.62 . . 1 . . . . 64 LEU N . 11430 1 726 . 1 1 65 65 LYS H H 1 8.33 . . 1 . . . . 65 LYS H . 11430 1 727 . 1 1 65 65 LYS HA H 1 4.05 . . 1 . . . . 65 LYS HA . 11430 1 728 . 1 1 65 65 LYS HB2 H 1 1.96 . . . . . . . 65 LYS HB2 . 11430 1 729 . 1 1 65 65 LYS HB3 H 1 2.10 . . . . . . . 65 LYS HB3 . 11430 1 730 . 1 1 65 65 LYS HD2 H 1 1.78 . . 2 . . . . 65 LYS HD2 . 11430 1 731 . 1 1 65 65 LYS HD3 H 1 1.78 . . 2 . . . . 65 LYS HD3 . 11430 1 732 . 1 1 65 65 LYS HE2 H 1 3.03 . . 2 . . . . 65 LYS HE2 . 11430 1 733 . 1 1 65 65 LYS HE3 H 1 3.03 . . 2 . . . . 65 LYS HE3 . 11430 1 734 . 1 1 65 65 LYS HG2 H 1 1.68 . . . . . . . 65 LYS HG2 . 11430 1 735 . 1 1 65 65 LYS HG3 H 1 1.50 . . . . . . . 65 LYS HG3 . 11430 1 736 . 1 1 65 65 LYS C C 13 175.80 . . 1 . . . . 65 LYS C . 11430 1 737 . 1 1 65 65 LYS CA C 13 58.51 . . 1 . . . . 65 LYS CA . 11430 1 738 . 1 1 65 65 LYS CB C 13 30.68 . . 1 . . . . 65 LYS CB . 11430 1 739 . 1 1 65 65 LYS N N 15 124.96 . . 1 . . . . 65 LYS N . 11430 1 740 . 1 1 66 66 GLU H H 1 8.05 . . 1 . . . . 66 GLU H . 11430 1 741 . 1 1 66 66 GLU HA H 1 4.13 . . 1 . . . . 66 GLU HA . 11430 1 742 . 1 1 66 66 GLU HB2 H 1 2.20 . . . . . . . 66 GLU HB2 . 11430 1 743 . 1 1 66 66 GLU HG2 H 1 2.47 . . 2 . . . . 66 GLU HG2 . 11430 1 744 . 1 1 66 66 GLU HG3 H 1 2.47 . . 2 . . . . 66 GLU HG3 . 11430 1 745 . 1 1 66 66 GLU C C 13 177.58 . . 1 . . . . 66 GLU C . 11430 1 746 . 1 1 66 66 GLU CA C 13 57.77 . . 1 . . . . 66 GLU CA . 11430 1 747 . 1 1 66 66 GLU CB C 13 28.18 . . 1 . . . . 66 GLU CB . 11430 1 748 . 1 1 66 66 GLU N N 15 121.41 . . 1 . . . . 66 GLU N . 11430 1 749 . 1 1 67 67 LYS H H 1 7.69 . . 1 . . . . 67 LYS H . 11430 1 750 . 1 1 67 67 LYS HA H 1 4.08 . . 1 . . . . 67 LYS HA . 11430 1 751 . 1 1 67 67 LYS HB2 H 1 1.99 . . . . . . . 67 LYS HB2 . 11430 1 752 . 1 1 67 67 LYS HD2 H 1 1.81 . . 2 . . . . 67 LYS HD2 . 11430 1 753 . 1 1 67 67 LYS HD3 H 1 1.81 . . 2 . . . . 67 LYS HD3 . 11430 1 754 . 1 1 67 67 LYS HE2 H 1 3.06 . . 2 . . . . 67 LYS HE2 . 11430 1 755 . 1 1 67 67 LYS HE3 H 1 3.06 . . 2 . . . . 67 LYS HE3 . 11430 1 756 . 1 1 67 67 LYS HG2 H 1 1.67 . . 2 . . . . 67 LYS HG2 . 11430 1 757 . 1 1 67 67 LYS HG3 H 1 1.67 . . 2 . . . . 67 LYS HG3 . 11430 1 758 . 1 1 67 67 LYS C C 13 176.02 . . 1 . . . . 67 LYS C . 11430 1 759 . 1 1 67 67 LYS CA C 13 57.59 . . 1 . . . . 67 LYS CA . 11430 1 760 . 1 1 67 67 LYS CB C 13 30.94 . . 1 . . . . 67 LYS CB . 11430 1 761 . 1 1 67 67 LYS N N 15 121.05 . . 1 . . . . 67 LYS N . 11430 1 762 . 1 1 68 68 TYR H H 1 8.03 . . 1 . . . . 68 TYR H . 11430 1 763 . 1 1 68 68 TYR HA H 1 4.41 . . 1 . . . . 68 TYR HA . 11430 1 764 . 1 1 68 68 TYR HB2 H 1 3.18 . . . . . . . 68 TYR HB2 . 11430 1 765 . 1 1 68 68 TYR HB3 H 1 3.22 . . . . . . . 68 TYR HB3 . 11430 1 766 . 1 1 68 68 TYR HD1 H 1 7.11 . . 3 . . . . 68 TYR HD1 . 11430 1 767 . 1 1 68 68 TYR HD2 H 1 7.11 . . 3 . . . . 68 TYR HD2 . 11430 1 768 . 1 1 68 68 TYR HE1 H 1 6.63 . . 3 . . . . 68 TYR HE1 . 11430 1 769 . 1 1 68 68 TYR HE2 H 1 6.63 . . 3 . . . . 68 TYR HE2 . 11430 1 770 . 1 1 68 68 TYR C C 13 175.14 . . 1 . . . . 68 TYR C . 11430 1 771 . 1 1 68 68 TYR CA C 13 59.64 . . 1 . . . . 68 TYR CA . 11430 1 772 . 1 1 68 68 TYR CB C 13 36.86 . . 1 . . . . 68 TYR CB . 11430 1 773 . 1 1 68 68 TYR CD1 C 13 132.18 . . 3 . . . . 68 TYR CD1 . 11430 1 774 . 1 1 68 68 TYR CD2 C 13 132.18 . . 3 . . . . 68 TYR CD2 . 11430 1 775 . 1 1 68 68 TYR CE1 C 13 116.26 . . 3 . . . . 68 TYR CE1 . 11430 1 776 . 1 1 68 68 TYR CE2 C 13 116.26 . . 3 . . . . 68 TYR CE2 . 11430 1 777 . 1 1 68 68 TYR CG C 13 128.31 . . 1 . . . . 68 TYR CG . 11430 1 778 . 1 1 68 68 TYR N N 15 121.85 . . 1 . . . . 68 TYR N . 11430 1 779 . 1 1 69 69 GLU H H 1 8.42 . . 1 . . . . 69 GLU H . 11430 1 780 . 1 1 69 69 GLU HA H 1 3.76 . . 1 . . . . 69 GLU HA . 11430 1 781 . 1 1 69 69 GLU HB2 H 1 2.02 . . . . . . . 69 GLU HB2 . 11430 1 782 . 1 1 69 69 GLU HB3 H 1 2.17 . . . . . . . 69 GLU HB3 . 11430 1 783 . 1 1 69 69 GLU HG2 H 1 2.68 . . . . . . . 69 GLU HG2 . 11430 1 784 . 1 1 69 69 GLU HG3 H 1 2.42 . . . . . . . 69 GLU HG3 . 11430 1 785 . 1 1 69 69 GLU C C 13 178.52 . . 1 . . . . 69 GLU C . 11430 1 786 . 1 1 69 69 GLU CA C 13 57.67 . . 1 . . . . 69 GLU CA . 11430 1 787 . 1 1 69 69 GLU CB C 13 27.47 . . 1 . . . . 69 GLU CB . 11430 1 788 . 1 1 69 69 GLU N N 15 118.86 . . 1 . . . . 69 GLU N . 11430 1 789 . 1 1 70 70 LYS H H 1 7.70 . . 1 . . . . 70 LYS H . 11430 1 790 . 1 1 70 70 LYS HA H 1 4.11 . . 1 . . . . 70 LYS HA . 11430 1 791 . 1 1 70 70 LYS HB2 H 1 1.99 . . . . . . . 70 LYS HB2 . 11430 1 792 . 1 1 70 70 LYS HD2 H 1 1.67 . . 2 . . . . 70 LYS HD2 . 11430 1 793 . 1 1 70 70 LYS HD3 H 1 1.67 . . 2 . . . . 70 LYS HD3 . 11430 1 794 . 1 1 70 70 LYS HE2 H 1 2.98 . . 2 . . . . 70 LYS HE2 . 11430 1 795 . 1 1 70 70 LYS HE3 H 1 2.98 . . 2 . . . . 70 LYS HE3 . 11430 1 796 . 1 1 70 70 LYS HG2 H 1 1.47 . . 2 . . . . 70 LYS HG2 . 11430 1 797 . 1 1 70 70 LYS HG3 H 1 1.47 . . 2 . . . . 70 LYS HG3 . 11430 1 798 . 1 1 70 70 LYS C C 13 177.60 . . 1 . . . . 70 LYS C . 11430 1 799 . 1 1 70 70 LYS CA C 13 57.59 . . 1 . . . . 70 LYS CA . 11430 1 800 . 1 1 70 70 LYS CB C 13 30.76 . . 1 . . . . 70 LYS CB . 11430 1 801 . 1 1 70 70 LYS N N 15 121.88 . . 1 . . . . 70 LYS N . 11430 1 802 . 1 1 71 71 ASP H H 1 8.69 . . 1 . . . . 71 ASP H . 11430 1 803 . 1 1 71 71 ASP HA H 1 4.43 . . 1 . . . . 71 ASP HA . 11430 1 804 . 1 1 71 71 ASP HB2 H 1 2.47 . . . . . . . 71 ASP HB2 . 11430 1 805 . 1 1 71 71 ASP HB3 H 1 2.80 . . . . . . . 71 ASP HB3 . 11430 1 806 . 1 1 71 71 ASP C C 13 178.36 . . 1 . . . . 71 ASP C . 11430 1 807 . 1 1 71 71 ASP CA C 13 55.62 . . 1 . . . . 71 ASP CA . 11430 1 808 . 1 1 71 71 ASP CB C 13 38.29 . . 1 . . . . 71 ASP CB . 11430 1 809 . 1 1 71 71 ASP N N 15 124.06 . . 1 . . . . 71 ASP N . 11430 1 810 . 1 1 72 72 ILE H H 1 8.77 . . 1 . . . . 72 ILE H . 11430 1 811 . 1 1 72 72 ILE HA H 1 3.94 . . 1 . . . . 72 ILE HA . 11430 1 812 . 1 1 72 72 ILE HB H 1 1.53 . . 1 . . . . 72 ILE HB . 11430 1 813 . 1 1 72 72 ILE HD11 H 1 0.69 . . 1 . . . . 72 ILE MD . 11430 1 814 . 1 1 72 72 ILE HD12 H 1 0.69 . . 1 . . . . 72 ILE MD . 11430 1 815 . 1 1 72 72 ILE HD13 H 1 0.69 . . 1 . . . . 72 ILE MD . 11430 1 816 . 1 1 72 72 ILE HG12 H 1 1.08 . . . . . . . 72 ILE HG12 . 11430 1 817 . 1 1 72 72 ILE HG21 H 1 0.70 . . 1 . . . . 72 ILE MG . 11430 1 818 . 1 1 72 72 ILE HG22 H 1 0.70 . . 1 . . . . 72 ILE MG . 11430 1 819 . 1 1 72 72 ILE HG23 H 1 0.70 . . 1 . . . . 72 ILE MG . 11430 1 820 . 1 1 72 72 ILE C C 13 175.91 . . 1 . . . . 72 ILE C . 11430 1 821 . 1 1 72 72 ILE CA C 13 60.65 . . 1 . . . . 72 ILE CA . 11430 1 822 . 1 1 72 72 ILE CB C 13 35.58 . . 1 . . . . 72 ILE CB . 11430 1 823 . 1 1 72 72 ILE CD1 C 13 11.18 . . 1 . . . . 72 ILE CD1 . 11430 1 824 . 1 1 72 72 ILE CG2 C 13 16.61 . . 1 . . . . 72 ILE CG2 . 11430 1 825 . 1 1 72 72 ILE N N 15 122.31 . . 1 . . . . 72 ILE N . 11430 1 826 . 1 1 73 73 ALA H H 1 7.31 . . 1 . . . . 73 ALA H . 11430 1 827 . 1 1 73 73 ALA HA H 1 4.14 . . 1 . . . . 73 ALA HA . 11430 1 828 . 1 1 73 73 ALA HB1 H 1 1.48 . . 1 . . . . 73 ALA MB . 11430 1 829 . 1 1 73 73 ALA HB2 H 1 1.48 . . 1 . . . . 73 ALA MB . 11430 1 830 . 1 1 73 73 ALA HB3 H 1 1.48 . . 1 . . . . 73 ALA MB . 11430 1 831 . 1 1 73 73 ALA C C 13 177.98 . . 1 . . . . 73 ALA C . 11430 1 832 . 1 1 73 73 ALA CA C 13 52.95 . . 1 . . . . 73 ALA CA . 11430 1 833 . 1 1 73 73 ALA CB C 13 16.50 . . 1 . . . . 73 ALA CB . 11430 1 834 . 1 1 73 73 ALA N N 15 125.64 . . 1 . . . . 73 ALA N . 11430 1 835 . 1 1 74 74 ALA H H 1 7.57 . . 1 . . . . 74 ALA H . 11430 1 836 . 1 1 74 74 ALA HA H 1 4.23 . . 1 . . . . 74 ALA HA . 11430 1 837 . 1 1 74 74 ALA HB1 H 1 1.45 . . 1 . . . . 74 ALA MB . 11430 1 838 . 1 1 74 74 ALA HB2 H 1 1.45 . . 1 . . . . 74 ALA MB . 11430 1 839 . 1 1 74 74 ALA HB3 H 1 1.45 . . 1 . . . . 74 ALA MB . 11430 1 840 . 1 1 74 74 ALA C C 13 177.16 . . 1 . . . . 74 ALA C . 11430 1 841 . 1 1 74 74 ALA CA C 13 51.96 . . 1 . . . . 74 ALA CA . 11430 1 842 . 1 1 74 74 ALA CB C 13 17.20 . . 1 . . . . 74 ALA CB . 11430 1 843 . 1 1 74 74 ALA N N 15 120.89 . . 1 . . . . 74 ALA N . 11430 1 844 . 1 1 75 75 TYR H H 1 7.84 . . 1 . . . . 75 TYR H . 11430 1 845 . 1 1 75 75 TYR HA H 1 4.31 . . 1 . . . . 75 TYR HA . 11430 1 846 . 1 1 75 75 TYR HB2 H 1 3.11 . . . . . . . 75 TYR HB2 . 11430 1 847 . 1 1 75 75 TYR HB3 H 1 3.05 . . . . . . . 75 TYR HB3 . 11430 1 848 . 1 1 75 75 TYR HD1 H 1 7.14 . . 3 . . . . 75 TYR HD1 . 11430 1 849 . 1 1 75 75 TYR HD2 H 1 7.14 . . 3 . . . . 75 TYR HD2 . 11430 1 850 . 1 1 75 75 TYR HE1 H 1 6.81 . . 3 . . . . 75 TYR HE1 . 11430 1 851 . 1 1 75 75 TYR HE2 H 1 6.81 . . 3 . . . . 75 TYR HE2 . 11430 1 852 . 1 1 75 75 TYR C C 13 174.78 . . 1 . . . . 75 TYR C . 11430 1 853 . 1 1 75 75 TYR CA C 13 58.14 . . 1 . . . . 75 TYR CA . 11430 1 854 . 1 1 75 75 TYR CB C 13 37.28 . . 1 . . . . 75 TYR CB . 11430 1 855 . 1 1 75 75 TYR CD1 C 13 131.50 . . 3 . . . . 75 TYR CD1 . 11430 1 856 . 1 1 75 75 TYR CD2 C 13 131.50 . . 3 . . . . 75 TYR CD2 . 11430 1 857 . 1 1 75 75 TYR CE1 C 13 116.59 . . 3 . . . . 75 TYR CE1 . 11430 1 858 . 1 1 75 75 TYR CE2 C 13 116.59 . . 3 . . . . 75 TYR CE2 . 11430 1 859 . 1 1 75 75 TYR CG C 13 128.36 . . 1 . . . . 75 TYR CG . 11430 1 860 . 1 1 75 75 TYR N N 15 121.18 . . 1 . . . . 75 TYR N . 11430 1 861 . 1 1 76 76 ARG H H 1 7.84 . . 1 . . . . 76 ARG H . 11430 1 862 . 1 1 76 76 ARG HA H 1 4.14 . . 1 . . . . 76 ARG HA . 11430 1 863 . 1 1 76 76 ARG HB2 H 1 1.82 . . . . . . . 76 ARG HB2 . 11430 1 864 . 1 1 76 76 ARG HB3 H 1 1.71 . . . . . . . 76 ARG HB3 . 11430 1 865 . 1 1 76 76 ARG HD2 H 1 3.15 . . 2 . . . . 76 ARG HD2 . 11430 1 866 . 1 1 76 76 ARG HD3 H 1 3.15 . . 2 . . . . 76 ARG HD3 . 11430 1 867 . 1 1 76 76 ARG HE H 1 7.20 . . 1 . . . . 76 ARG HE . 11430 1 868 . 1 1 76 76 ARG HG2 H 1 1.61 . . . . . . . 76 ARG HG2 . 11430 1 869 . 1 1 76 76 ARG HG3 H 1 1.57 . . . . . . . 76 ARG HG3 . 11430 1 870 . 1 1 76 76 ARG C C 13 173.98 . . 1 . . . . 76 ARG C . 11430 1 871 . 1 1 76 76 ARG CA C 13 54.57 . . 1 . . . . 76 ARG CA . 11430 1 872 . 1 1 76 76 ARG CB C 13 29.34 . . 1 . . . . 76 ARG CB . 11430 1 873 . 1 1 76 76 ARG N N 15 122.46 . . 1 . . . . 76 ARG N . 11430 1 874 . 1 1 76 76 ARG NE N 15 86.53 . . 1 . . . . 76 ARG NE . 11430 1 875 . 1 1 77 77 ALA H H 1 7.69 . . 1 . . . . 77 ALA H . 11430 1 876 . 1 1 77 77 ALA HA H 1 4.22 . . 1 . . . . 77 ALA HA . 11430 1 877 . 1 1 77 77 ALA HB1 H 1 1.40 . . 1 . . . . 77 ALA MB . 11430 1 878 . 1 1 77 77 ALA HB2 H 1 1.40 . . 1 . . . . 77 ALA MB . 11430 1 879 . 1 1 77 77 ALA HB3 H 1 1.40 . . 1 . . . . 77 ALA MB . 11430 1 880 . 1 1 77 77 ALA C C 13 175.13 . . 1 . . . . 77 ALA C . 11430 1 881 . 1 1 77 77 ALA CA C 13 51.02 . . 1 . . . . 77 ALA CA . 11430 1 882 . 1 1 77 77 ALA CB C 13 17.52 . . 1 . . . . 77 ALA CB . 11430 1 883 . 1 1 77 77 ALA N N 15 125.84 . . 1 . . . . 77 ALA N . 11430 1 884 . 1 1 78 78 LYS H H 1 7.64 . . 1 . . . . 78 LYS H . 11430 1 885 . 1 1 78 78 LYS HA H 1 4.08 . . 1 . . . . 78 LYS HA . 11430 1 886 . 1 1 78 78 LYS HB2 H 1 1.76 . . . . . . . 78 LYS HB2 . 11430 1 887 . 1 1 78 78 LYS HB3 H 1 1.69 . . . . . . . 78 LYS HB3 . 11430 1 888 . 1 1 78 78 LYS HE2 H 1 2.95 . . 2 . . . . 78 LYS HE2 . 11430 1 889 . 1 1 78 78 LYS HE3 H 1 2.95 . . 2 . . . . 78 LYS HE3 . 11430 1 890 . 1 1 78 78 LYS HG2 H 1 1.38 . . 2 . . . . 78 LYS HG2 . 11430 1 891 . 1 1 78 78 LYS HG3 H 1 1.38 . . 2 . . . . 78 LYS HG3 . 11430 1 892 . 1 1 78 78 LYS C C 13 179.81 . . 1 . . . . 78 LYS C . 11430 1 893 . 1 1 78 78 LYS CA C 13 56.25 . . 1 . . . . 78 LYS CA . 11430 1 894 . 1 1 78 78 LYS CB C 13 32.04 . . 1 . . . . 78 LYS CB . 11430 1 895 . 1 1 78 78 LYS N N 15 126.80 . . 1 . . . . 78 LYS N . 11430 1 stop_ save_