data_10043 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10043 _Entry.Title ; Solution Structure of the N-terminal Domain of Mouse Putative Signal Recoginition Particle 54 (SRP54) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-09 _Entry.Accession_date 2006-11-10 _Entry.Last_release_date 2008-08-13 _Entry.Original_release_date 2008-08-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 H. Li . . . 10043 2 T. Tomizawa . . . 10043 3 S. Koshiba . . . 10043 4 M. Inoue . . . 10043 5 T. Kigawa . . . 10043 6 S. Yokoyama . . . 10043 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10043 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10043 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 407 10043 '15N chemical shifts' 103 10043 '1H chemical shifts' 683 10043 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 . . 2008-08-13 2006-11-09 original author . 10043 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WGW 'BMRB Entry Tracking System' 10043 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10043 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution Structure of the N-terminal Domain of Mouse Putative Signal Recoginition Particle 54 (SRP54) ; _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 H. Li . . . 10043 1 2 T. Tomizawa . . . 10043 1 3 S. Koshiba . . . 10043 1 4 M. Inoue . . . 10043 1 5 T. Kigawa . . . 10043 1 6 S. Yokoyama . . . 10043 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10043 _Assembly.ID 1 _Assembly.Name 'Signal Recoginition Particle 54' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10043 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Signal Recoginition Particle 54' 1 $entity_1 . . yes native no no . . . 10043 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1WGW . . . . . . 10043 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10043 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'N-terminal domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGADLGRKITSALRS LSNATIINEEVLNAMLKEVC TALLEADVNIKLVKQLRENV KSAIDLEEMASGLNKRKMIQ HAVFKELVKVKVYSGPSSG ; _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1WGW . "Solution Structure Of The N-Terminal Domain Of Mouse Putative Signal Recoginition Particle 54 (Srp54)" . . . . . 100.00 99 100.00 100.00 6.28e-62 . . . . 10043 1 2 no GB EAW65895 . "hCG2033479, isoform CRA_e [Homo sapiens]" . . . . . 83.84 341 98.80 100.00 1.83e-41 . . . . 10043 1 3 no GB ELK11325 . "Signal recognition particle 54 kDa protein [Pteropus alecto]" . . . . . 53.54 438 100.00 100.00 1.10e-24 . . . . 10043 1 4 no GB ELW63179 . "Signal recognition particle 54 kDa protein [Tupaia chinensis]" . . . . . 53.54 594 100.00 100.00 6.69e-24 . . . . 10043 1 5 no GB EPQ06973 . "Signal recognition particle 54 kDa protein [Myotis brandtii]" . . . . . 53.54 281 100.00 100.00 9.20e-25 . . . . 10043 1 6 no GB KFO29291 . "Signal recognition particle 54 kDa protein [Fukomys damarensis]" . . . . . 53.54 506 100.00 100.00 3.27e-24 . . . . 10043 1 7 no REF XP_004376574 . "PREDICTED: signal recognition particle 54 kDa protein isoform X1 [Trichechus manatus latirostris]" . . . . . 83.84 504 98.80 100.00 7.68e-45 . . . . 10043 1 8 no REF XP_005989239 . "PREDICTED: signal recognition particle 54 kDa protein [Latimeria chalumnae]" . . . . . 83.84 504 97.59 100.00 8.11e-41 . . . . 10043 1 9 no REF XP_010211978 . "PREDICTED: signal recognition particle 54 kDa protein [Tinamus guttatus]" . . . . . 83.84 496 98.80 98.80 7.57e-45 . . . . 10043 1 10 no REF XP_012513641 . "PREDICTED: signal recognition particle 54 kDa protein [Propithecus coquereli]" . . . . . 82.83 505 100.00 100.00 9.34e-45 . . . . 10043 1 11 no REF XP_012867695 . "PREDICTED: signal recognition particle 54 kDa protein [Dipodomys ordii]" . . . . . 85.86 377 98.82 100.00 8.57e-47 . . . . 10043 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'N-terminal domain' . 10043 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 10043 1 2 . SER . 10043 1 3 . SER . 10043 1 4 . GLY . 10043 1 5 . SER . 10043 1 6 . SER . 10043 1 7 . GLY . 10043 1 8 . ALA . 10043 1 9 . ASP . 10043 1 10 . LEU . 10043 1 11 . GLY . 10043 1 12 . ARG . 10043 1 13 . LYS . 10043 1 14 . ILE . 10043 1 15 . THR . 10043 1 16 . SER . 10043 1 17 . ALA . 10043 1 18 . LEU . 10043 1 19 . ARG . 10043 1 20 . SER . 10043 1 21 . LEU . 10043 1 22 . SER . 10043 1 23 . ASN . 10043 1 24 . ALA . 10043 1 25 . THR . 10043 1 26 . ILE . 10043 1 27 . ILE . 10043 1 28 . ASN . 10043 1 29 . GLU . 10043 1 30 . GLU . 10043 1 31 . VAL . 10043 1 32 . LEU . 10043 1 33 . ASN . 10043 1 34 . ALA . 10043 1 35 . MET . 10043 1 36 . LEU . 10043 1 37 . LYS . 10043 1 38 . GLU . 10043 1 39 . VAL . 10043 1 40 . CYS . 10043 1 41 . THR . 10043 1 42 . ALA . 10043 1 43 . LEU . 10043 1 44 . LEU . 10043 1 45 . GLU . 10043 1 46 . ALA . 10043 1 47 . ASP . 10043 1 48 . VAL . 10043 1 49 . ASN . 10043 1 50 . ILE . 10043 1 51 . LYS . 10043 1 52 . LEU . 10043 1 53 . VAL . 10043 1 54 . LYS . 10043 1 55 . GLN . 10043 1 56 . LEU . 10043 1 57 . ARG . 10043 1 58 . GLU . 10043 1 59 . ASN . 10043 1 60 . VAL . 10043 1 61 . LYS . 10043 1 62 . SER . 10043 1 63 . ALA . 10043 1 64 . ILE . 10043 1 65 . ASP . 10043 1 66 . LEU . 10043 1 67 . GLU . 10043 1 68 . GLU . 10043 1 69 . MET . 10043 1 70 . ALA . 10043 1 71 . SER . 10043 1 72 . GLY . 10043 1 73 . LEU . 10043 1 74 . ASN . 10043 1 75 . LYS . 10043 1 76 . ARG . 10043 1 77 . LYS . 10043 1 78 . MET . 10043 1 79 . ILE . 10043 1 80 . GLN . 10043 1 81 . HIS . 10043 1 82 . ALA . 10043 1 83 . VAL . 10043 1 84 . PHE . 10043 1 85 . LYS . 10043 1 86 . GLU . 10043 1 87 . LEU . 10043 1 88 . VAL . 10043 1 89 . LYS . 10043 1 90 . VAL . 10043 1 91 . LYS . 10043 1 92 . VAL . 10043 1 93 . TYR . 10043 1 94 . SER . 10043 1 95 . GLY . 10043 1 96 . PRO . 10043 1 97 . SER . 10043 1 98 . SER . 10043 1 99 . GLY . 10043 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 10043 1 . SER 2 2 10043 1 . SER 3 3 10043 1 . GLY 4 4 10043 1 . SER 5 5 10043 1 . SER 6 6 10043 1 . GLY 7 7 10043 1 . ALA 8 8 10043 1 . ASP 9 9 10043 1 . LEU 10 10 10043 1 . GLY 11 11 10043 1 . ARG 12 12 10043 1 . LYS 13 13 10043 1 . ILE 14 14 10043 1 . THR 15 15 10043 1 . SER 16 16 10043 1 . ALA 17 17 10043 1 . LEU 18 18 10043 1 . ARG 19 19 10043 1 . SER 20 20 10043 1 . LEU 21 21 10043 1 . SER 22 22 10043 1 . ASN 23 23 10043 1 . ALA 24 24 10043 1 . THR 25 25 10043 1 . ILE 26 26 10043 1 . ILE 27 27 10043 1 . ASN 28 28 10043 1 . GLU 29 29 10043 1 . GLU 30 30 10043 1 . VAL 31 31 10043 1 . LEU 32 32 10043 1 . ASN 33 33 10043 1 . ALA 34 34 10043 1 . MET 35 35 10043 1 . LEU 36 36 10043 1 . LYS 37 37 10043 1 . GLU 38 38 10043 1 . VAL 39 39 10043 1 . CYS 40 40 10043 1 . THR 41 41 10043 1 . ALA 42 42 10043 1 . LEU 43 43 10043 1 . LEU 44 44 10043 1 . GLU 45 45 10043 1 . ALA 46 46 10043 1 . ASP 47 47 10043 1 . VAL 48 48 10043 1 . ASN 49 49 10043 1 . ILE 50 50 10043 1 . LYS 51 51 10043 1 . LEU 52 52 10043 1 . VAL 53 53 10043 1 . LYS 54 54 10043 1 . GLN 55 55 10043 1 . LEU 56 56 10043 1 . ARG 57 57 10043 1 . GLU 58 58 10043 1 . ASN 59 59 10043 1 . VAL 60 60 10043 1 . LYS 61 61 10043 1 . SER 62 62 10043 1 . ALA 63 63 10043 1 . ILE 64 64 10043 1 . ASP 65 65 10043 1 . LEU 66 66 10043 1 . GLU 67 67 10043 1 . GLU 68 68 10043 1 . MET 69 69 10043 1 . ALA 70 70 10043 1 . SER 71 71 10043 1 . GLY 72 72 10043 1 . LEU 73 73 10043 1 . ASN 74 74 10043 1 . LYS 75 75 10043 1 . ARG 76 76 10043 1 . LYS 77 77 10043 1 . MET 78 78 10043 1 . ILE 79 79 10043 1 . GLN 80 80 10043 1 . HIS 81 81 10043 1 . ALA 82 82 10043 1 . VAL 83 83 10043 1 . PHE 84 84 10043 1 . LYS 85 85 10043 1 . GLU 86 86 10043 1 . LEU 87 87 10043 1 . VAL 88 88 10043 1 . LYS 89 89 10043 1 . VAL 90 90 10043 1 . LYS 91 91 10043 1 . VAL 92 92 10043 1 . TYR 93 93 10043 1 . SER 94 94 10043 1 . GLY 95 95 10043 1 . PRO 96 96 10043 1 . SER 97 97 10043 1 . SER 98 98 10043 1 . GLY 99 99 10043 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 10043 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 . . . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10043 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 10043 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P030908-15 . . . . . . 10043 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10043 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Protein '[U-13C, U-15N]' . . 1 $entity_1 . . 1.04 . . mM . . . . 10043 1 2 Phosphate . . . . . . buffer 20 . . mM . . . . 10043 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10043 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10043 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10043 1 6 H2O . . . . . . solvent 90 . . % . . . . 10043 1 7 D2O . . . . . . solvent 10 . . % . . . . 10043 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10043 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 10043 1 pH 6.0 0.05 pH 10043 1 pressure 1 0.001 atm 10043 1 temperature 298 0.1 K 10043 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10043 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10043 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10043 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10043 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10043 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10043 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10043 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B. A.' . . 10043 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10043 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10043 _Software.ID 4 _Software.Name Kujira _Software.Version 0.897 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10043 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10043 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10043 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10043 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10043 5 'structure solution' 10043 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10043 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10043 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10043 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10043 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10043 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10043 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10043 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10043 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10043 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10043 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10043 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10043 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10043 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 2 2 SER C C 13 174.826 0.300 . 1 . . . . 2 SER C . 10043 1 2 . 1 1 2 2 SER CA C 13 58.395 0.300 . 1 . . . . 2 SER CA . 10043 1 3 . 1 1 2 2 SER CB C 13 63.906 0.300 . 1 . . . . 2 SER CB . 10043 1 4 . 1 1 3 3 SER H H 1 8.613 0.030 . 1 . . . . 3 SER H . 10043 1 5 . 1 1 3 3 SER HA H 1 4.537 0.030 . 1 . . . . 3 SER HA . 10043 1 6 . 1 1 3 3 SER C C 13 175.202 0.300 . 1 . . . . 3 SER C . 10043 1 7 . 1 1 3 3 SER CA C 13 58.710 0.300 . 1 . . . . 3 SER CA . 10043 1 8 . 1 1 3 3 SER CB C 13 63.883 0.300 . 1 . . . . 3 SER CB . 10043 1 9 . 1 1 3 3 SER N N 15 118.156 0.300 . 1 . . . . 3 SER N . 10043 1 10 . 1 1 4 4 GLY H H 1 8.522 0.030 . 1 . . . . 4 GLY H . 10043 1 11 . 1 1 4 4 GLY HA2 H 1 4.058 0.030 . 1 . . . . 4 GLY HA2 . 10043 1 12 . 1 1 4 4 GLY HA3 H 1 4.058 0.030 . 1 . . . . 4 GLY HA3 . 10043 1 13 . 1 1 4 4 GLY C C 13 174.511 0.300 . 1 . . . . 4 GLY C . 10043 1 14 . 1 1 4 4 GLY CA C 13 45.551 0.300 . 1 . . . . 4 GLY CA . 10043 1 15 . 1 1 4 4 GLY N N 15 110.990 0.300 . 1 . . . . 4 GLY N . 10043 1 16 . 1 1 5 5 SER H H 1 8.320 0.030 . 1 . . . . 5 SER H . 10043 1 17 . 1 1 5 5 SER HA H 1 4.551 0.030 . 1 . . . . 5 SER HA . 10043 1 18 . 1 1 5 5 SER HB2 H 1 3.897 0.030 . 1 . . . . 5 SER HB2 . 10043 1 19 . 1 1 5 5 SER HB3 H 1 3.897 0.030 . 1 . . . . 5 SER HB3 . 10043 1 20 . 1 1 5 5 SER C C 13 175.056 0.300 . 1 . . . . 5 SER C . 10043 1 21 . 1 1 5 5 SER CA C 13 58.468 0.300 . 1 . . . . 5 SER CA . 10043 1 22 . 1 1 5 5 SER CB C 13 63.984 0.300 . 1 . . . . 5 SER CB . 10043 1 23 . 1 1 5 5 SER N N 15 115.911 0.300 . 1 . . . . 5 SER N . 10043 1 24 . 1 1 6 6 SER H H 1 8.545 0.030 . 1 . . . . 6 SER H . 10043 1 25 . 1 1 6 6 SER HA H 1 4.512 0.030 . 1 . . . . 6 SER HA . 10043 1 26 . 1 1 6 6 SER HB2 H 1 3.962 0.030 . 2 . . . . 6 SER HB2 . 10043 1 27 . 1 1 6 6 SER HB3 H 1 4.023 0.030 . 2 . . . . 6 SER HB3 . 10043 1 28 . 1 1 6 6 SER C C 13 175.904 0.300 . 1 . . . . 6 SER C . 10043 1 29 . 1 1 6 6 SER CA C 13 59.117 0.300 . 1 . . . . 6 SER CA . 10043 1 30 . 1 1 6 6 SER CB C 13 63.925 0.300 . 1 . . . . 6 SER CB . 10043 1 31 . 1 1 6 6 SER N N 15 118.275 0.300 . 1 . . . . 6 SER N . 10043 1 32 . 1 1 7 7 GLY H H 1 8.600 0.030 . 1 . . . . 7 GLY H . 10043 1 33 . 1 1 7 7 GLY HA2 H 1 4.003 0.030 . 1 . . . . 7 GLY HA2 . 10043 1 34 . 1 1 7 7 GLY HA3 H 1 4.003 0.030 . 1 . . . . 7 GLY HA3 . 10043 1 35 . 1 1 7 7 GLY C C 13 175.286 0.300 . 1 . . . . 7 GLY C . 10043 1 36 . 1 1 7 7 GLY CA C 13 46.272 0.300 . 1 . . . . 7 GLY CA . 10043 1 37 . 1 1 7 7 GLY N N 15 110.957 0.300 . 1 . . . . 7 GLY N . 10043 1 38 . 1 1 8 8 ALA H H 1 8.203 0.030 . 1 . . . . 8 ALA H . 10043 1 39 . 1 1 8 8 ALA HA H 1 4.272 0.030 . 1 . . . . 8 ALA HA . 10043 1 40 . 1 1 8 8 ALA HB1 H 1 1.455 0.030 . 1 . . . . 8 ALA HB . 10043 1 41 . 1 1 8 8 ALA HB2 H 1 1.455 0.030 . 1 . . . . 8 ALA HB . 10043 1 42 . 1 1 8 8 ALA HB3 H 1 1.455 0.030 . 1 . . . . 8 ALA HB . 10043 1 43 . 1 1 8 8 ALA C C 13 178.944 0.300 . 1 . . . . 8 ALA C . 10043 1 44 . 1 1 8 8 ALA CA C 13 53.886 0.300 . 1 . . . . 8 ALA CA . 10043 1 45 . 1 1 8 8 ALA CB C 13 18.796 0.300 . 1 . . . . 8 ALA CB . 10043 1 46 . 1 1 8 8 ALA N N 15 124.397 0.300 . 1 . . . . 8 ALA N . 10043 1 47 . 1 1 9 9 ASP H H 1 8.231 0.030 . 1 . . . . 9 ASP H . 10043 1 48 . 1 1 9 9 ASP HA H 1 4.548 0.030 . 1 . . . . 9 ASP HA . 10043 1 49 . 1 1 9 9 ASP HB2 H 1 2.743 0.030 . 1 . . . . 9 ASP HB2 . 10043 1 50 . 1 1 9 9 ASP HB3 H 1 2.743 0.030 . 1 . . . . 9 ASP HB3 . 10043 1 51 . 1 1 9 9 ASP C C 13 177.079 0.300 . 1 . . . . 9 ASP C . 10043 1 52 . 1 1 9 9 ASP CA C 13 55.883 0.300 . 1 . . . . 9 ASP CA . 10043 1 53 . 1 1 9 9 ASP CB C 13 41.033 0.300 . 1 . . . . 9 ASP CB . 10043 1 54 . 1 1 9 9 ASP N N 15 119.034 0.300 . 1 . . . . 9 ASP N . 10043 1 55 . 1 1 10 10 LEU H H 1 7.953 0.030 . 1 . . . . 10 LEU H . 10043 1 56 . 1 1 10 10 LEU HA H 1 4.112 0.030 . 1 . . . . 10 LEU HA . 10043 1 57 . 1 1 10 10 LEU HB2 H 1 1.853 0.030 . 2 . . . . 10 LEU HB2 . 10043 1 58 . 1 1 10 10 LEU HB3 H 1 1.683 0.030 . 2 . . . . 10 LEU HB3 . 10043 1 59 . 1 1 10 10 LEU HG H 1 1.553 0.030 . 1 . . . . 10 LEU HG . 10043 1 60 . 1 1 10 10 LEU HD11 H 1 0.883 0.030 . 1 . . . . 10 LEU HD1 . 10043 1 61 . 1 1 10 10 LEU HD12 H 1 0.883 0.030 . 1 . . . . 10 LEU HD1 . 10043 1 62 . 1 1 10 10 LEU HD13 H 1 0.883 0.030 . 1 . . . . 10 LEU HD1 . 10043 1 63 . 1 1 10 10 LEU HD21 H 1 0.870 0.030 . 1 . . . . 10 LEU HD2 . 10043 1 64 . 1 1 10 10 LEU HD22 H 1 0.870 0.030 . 1 . . . . 10 LEU HD2 . 10043 1 65 . 1 1 10 10 LEU HD23 H 1 0.870 0.030 . 1 . . . . 10 LEU HD2 . 10043 1 66 . 1 1 10 10 LEU C C 13 178.557 0.300 . 1 . . . . 10 LEU C . 10043 1 67 . 1 1 10 10 LEU CA C 13 58.336 0.300 . 1 . . . . 10 LEU CA . 10043 1 68 . 1 1 10 10 LEU CB C 13 41.649 0.300 . 1 . . . . 10 LEU CB . 10043 1 69 . 1 1 10 10 LEU CG C 13 27.072 0.300 . 1 . . . . 10 LEU CG . 10043 1 70 . 1 1 10 10 LEU CD1 C 13 25.808 0.300 . 2 . . . . 10 LEU CD1 . 10043 1 71 . 1 1 10 10 LEU CD2 C 13 23.899 0.300 . 2 . . . . 10 LEU CD2 . 10043 1 72 . 1 1 10 10 LEU N N 15 121.656 0.300 . 1 . . . . 10 LEU N . 10043 1 73 . 1 1 11 11 GLY H H 1 8.380 0.030 . 1 . . . . 11 GLY H . 10043 1 74 . 1 1 11 11 GLY HA2 H 1 3.743 0.030 . 2 . . . . 11 GLY HA2 . 10043 1 75 . 1 1 11 11 GLY HA3 H 1 4.023 0.030 . 2 . . . . 11 GLY HA3 . 10043 1 76 . 1 1 11 11 GLY C C 13 176.849 0.300 . 1 . . . . 11 GLY C . 10043 1 77 . 1 1 11 11 GLY CA C 13 47.707 0.300 . 1 . . . . 11 GLY CA . 10043 1 78 . 1 1 11 11 GLY N N 15 105.345 0.300 . 1 . . . . 11 GLY N . 10043 1 79 . 1 1 12 12 ARG H H 1 8.068 0.030 . 1 . . . . 12 ARG H . 10043 1 80 . 1 1 12 12 ARG HA H 1 4.123 0.030 . 1 . . . . 12 ARG HA . 10043 1 81 . 1 1 12 12 ARG HB2 H 1 1.980 0.030 . 2 . . . . 12 ARG HB2 . 10043 1 82 . 1 1 12 12 ARG HB3 H 1 1.993 0.030 . 2 . . . . 12 ARG HB3 . 10043 1 83 . 1 1 12 12 ARG HG2 H 1 1.653 0.030 . 2 . . . . 12 ARG HG2 . 10043 1 84 . 1 1 12 12 ARG HG3 H 1 1.791 0.030 . 2 . . . . 12 ARG HG3 . 10043 1 85 . 1 1 12 12 ARG HD2 H 1 3.252 0.030 . 1 . . . . 12 ARG HD2 . 10043 1 86 . 1 1 12 12 ARG HD3 H 1 3.252 0.030 . 1 . . . . 12 ARG HD3 . 10043 1 87 . 1 1 12 12 ARG C C 13 179.380 0.300 . 1 . . . . 12 ARG C . 10043 1 88 . 1 1 12 12 ARG CA C 13 59.609 0.300 . 1 . . . . 12 ARG CA . 10043 1 89 . 1 1 12 12 ARG CB C 13 30.160 0.300 . 1 . . . . 12 ARG CB . 10043 1 90 . 1 1 12 12 ARG CG C 13 27.560 0.300 . 1 . . . . 12 ARG CG . 10043 1 91 . 1 1 12 12 ARG CD C 13 43.382 0.300 . 1 . . . . 12 ARG CD . 10043 1 92 . 1 1 12 12 ARG N N 15 122.823 0.300 . 1 . . . . 12 ARG N . 10043 1 93 . 1 1 13 13 LYS H H 1 8.082 0.030 . 1 . . . . 13 LYS H . 10043 1 94 . 1 1 13 13 LYS HA H 1 4.093 0.030 . 1 . . . . 13 LYS HA . 10043 1 95 . 1 1 13 13 LYS HB2 H 1 2.003 0.030 . 2 . . . . 13 LYS HB2 . 10043 1 96 . 1 1 13 13 LYS HB3 H 1 1.863 0.030 . 2 . . . . 13 LYS HB3 . 10043 1 97 . 1 1 13 13 LYS HG2 H 1 1.463 0.030 . 2 . . . . 13 LYS HG2 . 10043 1 98 . 1 1 13 13 LYS HG3 H 1 1.723 0.030 . 2 . . . . 13 LYS HG3 . 10043 1 99 . 1 1 13 13 LYS HD2 H 1 1.712 0.030 . 2 . . . . 13 LYS HD2 . 10043 1 100 . 1 1 13 13 LYS HD3 H 1 1.673 0.030 . 2 . . . . 13 LYS HD3 . 10043 1 101 . 1 1 13 13 LYS HE2 H 1 2.963 0.030 . 2 . . . . 13 LYS HE2 . 10043 1 102 . 1 1 13 13 LYS HE3 H 1 2.903 0.030 . 2 . . . . 13 LYS HE3 . 10043 1 103 . 1 1 13 13 LYS C C 13 180.340 0.300 . 1 . . . . 13 LYS C . 10043 1 104 . 1 1 13 13 LYS CA C 13 59.889 0.300 . 1 . . . . 13 LYS CA . 10043 1 105 . 1 1 13 13 LYS CB C 13 33.363 0.300 . 1 . . . . 13 LYS CB . 10043 1 106 . 1 1 13 13 LYS CG C 13 26.172 0.300 . 1 . . . . 13 LYS CG . 10043 1 107 . 1 1 13 13 LYS CD C 13 30.102 0.300 . 1 . . . . 13 LYS CD . 10043 1 108 . 1 1 13 13 LYS CE C 13 42.232 0.300 . 1 . . . . 13 LYS CE . 10043 1 109 . 1 1 13 13 LYS N N 15 120.518 0.300 . 1 . . . . 13 LYS N . 10043 1 110 . 1 1 14 14 ILE H H 1 8.467 0.030 . 1 . . . . 14 ILE H . 10043 1 111 . 1 1 14 14 ILE HA H 1 3.618 0.030 . 1 . . . . 14 ILE HA . 10043 1 112 . 1 1 14 14 ILE HB H 1 2.065 0.030 . 1 . . . . 14 ILE HB . 10043 1 113 . 1 1 14 14 ILE HG12 H 1 1.213 0.030 . 2 . . . . 14 ILE HG12 . 10043 1 114 . 1 1 14 14 ILE HG13 H 1 1.672 0.030 . 2 . . . . 14 ILE HG13 . 10043 1 115 . 1 1 14 14 ILE HG21 H 1 0.749 0.030 . 1 . . . . 14 ILE HG2 . 10043 1 116 . 1 1 14 14 ILE HG22 H 1 0.749 0.030 . 1 . . . . 14 ILE HG2 . 10043 1 117 . 1 1 14 14 ILE HG23 H 1 0.749 0.030 . 1 . . . . 14 ILE HG2 . 10043 1 118 . 1 1 14 14 ILE HD11 H 1 0.724 0.030 . 1 . . . . 14 ILE HD1 . 10043 1 119 . 1 1 14 14 ILE HD12 H 1 0.724 0.030 . 1 . . . . 14 ILE HD1 . 10043 1 120 . 1 1 14 14 ILE HD13 H 1 0.724 0.030 . 1 . . . . 14 ILE HD1 . 10043 1 121 . 1 1 14 14 ILE C C 13 177.479 0.300 . 1 . . . . 14 ILE C . 10043 1 122 . 1 1 14 14 ILE CA C 13 65.158 0.300 . 1 . . . . 14 ILE CA . 10043 1 123 . 1 1 14 14 ILE CB C 13 36.960 0.300 . 1 . . . . 14 ILE CB . 10043 1 124 . 1 1 14 14 ILE CG1 C 13 29.097 0.300 . 1 . . . . 14 ILE CG1 . 10043 1 125 . 1 1 14 14 ILE CG2 C 13 17.328 0.300 . 1 . . . . 14 ILE CG2 . 10043 1 126 . 1 1 14 14 ILE CD1 C 13 12.913 0.300 . 1 . . . . 14 ILE CD1 . 10043 1 127 . 1 1 14 14 ILE N N 15 120.813 0.300 . 1 . . . . 14 ILE N . 10043 1 128 . 1 1 15 15 THR H H 1 8.522 0.030 . 1 . . . . 15 THR H . 10043 1 129 . 1 1 15 15 THR HA H 1 3.892 0.030 . 1 . . . . 15 THR HA . 10043 1 130 . 1 1 15 15 THR HB H 1 4.330 0.030 . 1 . . . . 15 THR HB . 10043 1 131 . 1 1 15 15 THR HG21 H 1 1.305 0.030 . 1 . . . . 15 THR HG2 . 10043 1 132 . 1 1 15 15 THR HG22 H 1 1.305 0.030 . 1 . . . . 15 THR HG2 . 10043 1 133 . 1 1 15 15 THR HG23 H 1 1.305 0.030 . 1 . . . . 15 THR HG2 . 10043 1 134 . 1 1 15 15 THR C C 13 177.467 0.300 . 1 . . . . 15 THR C . 10043 1 135 . 1 1 15 15 THR CA C 13 67.515 0.300 . 1 . . . . 15 THR CA . 10043 1 136 . 1 1 15 15 THR CB C 13 68.537 0.300 . 1 . . . . 15 THR CB . 10043 1 137 . 1 1 15 15 THR CG2 C 13 21.844 0.300 . 1 . . . . 15 THR CG2 . 10043 1 138 . 1 1 15 15 THR N N 15 116.208 0.300 . 1 . . . . 15 THR N . 10043 1 139 . 1 1 16 16 SER H H 1 8.263 0.030 . 1 . . . . 16 SER H . 10043 1 140 . 1 1 16 16 SER HA H 1 4.183 0.030 . 1 . . . . 16 SER HA . 10043 1 141 . 1 1 16 16 SER HB2 H 1 4.021 0.030 . 1 . . . . 16 SER HB2 . 10043 1 142 . 1 1 16 16 SER HB3 H 1 4.021 0.030 . 1 . . . . 16 SER HB3 . 10043 1 143 . 1 1 16 16 SER C C 13 176.765 0.300 . 1 . . . . 16 SER C . 10043 1 144 . 1 1 16 16 SER CA C 13 62.139 0.300 . 1 . . . . 16 SER CA . 10043 1 145 . 1 1 16 16 SER CB C 13 62.591 0.300 . 1 . . . . 16 SER CB . 10043 1 146 . 1 1 16 16 SER N N 15 116.883 0.300 . 1 . . . . 16 SER N . 10043 1 147 . 1 1 17 17 ALA H H 1 7.851 0.030 . 1 . . . . 17 ALA H . 10043 1 148 . 1 1 17 17 ALA HA H 1 4.248 0.030 . 1 . . . . 17 ALA HA . 10043 1 149 . 1 1 17 17 ALA HB1 H 1 1.533 0.030 . 1 . . . . 17 ALA HB . 10043 1 150 . 1 1 17 17 ALA HB2 H 1 1.533 0.030 . 1 . . . . 17 ALA HB . 10043 1 151 . 1 1 17 17 ALA HB3 H 1 1.533 0.030 . 1 . . . . 17 ALA HB . 10043 1 152 . 1 1 17 17 ALA C C 13 180.797 0.300 . 1 . . . . 17 ALA C . 10043 1 153 . 1 1 17 17 ALA CA C 13 55.040 0.300 . 1 . . . . 17 ALA CA . 10043 1 154 . 1 1 17 17 ALA CB C 13 18.593 0.300 . 1 . . . . 17 ALA CB . 10043 1 155 . 1 1 17 17 ALA N N 15 124.516 0.300 . 1 . . . . 17 ALA N . 10043 1 156 . 1 1 18 18 LEU H H 1 8.213 0.030 . 1 . . . . 18 LEU H . 10043 1 157 . 1 1 18 18 LEU HA H 1 4.093 0.030 . 1 . . . . 18 LEU HA . 10043 1 158 . 1 1 18 18 LEU HB2 H 1 1.983 0.030 . 2 . . . . 18 LEU HB2 . 10043 1 159 . 1 1 18 18 LEU HB3 H 1 1.553 0.030 . 2 . . . . 18 LEU HB3 . 10043 1 160 . 1 1 18 18 LEU HG H 1 1.800 0.030 . 1 . . . . 18 LEU HG . 10043 1 161 . 1 1 18 18 LEU HD11 H 1 0.796 0.030 . 1 . . . . 18 LEU HD1 . 10043 1 162 . 1 1 18 18 LEU HD12 H 1 0.796 0.030 . 1 . . . . 18 LEU HD1 . 10043 1 163 . 1 1 18 18 LEU HD13 H 1 0.796 0.030 . 1 . . . . 18 LEU HD1 . 10043 1 164 . 1 1 18 18 LEU HD21 H 1 0.805 0.030 . 1 . . . . 18 LEU HD2 . 10043 1 165 . 1 1 18 18 LEU HD22 H 1 0.805 0.030 . 1 . . . . 18 LEU HD2 . 10043 1 166 . 1 1 18 18 LEU HD23 H 1 0.805 0.030 . 1 . . . . 18 LEU HD2 . 10043 1 167 . 1 1 18 18 LEU C C 13 179.671 0.300 . 1 . . . . 18 LEU C . 10043 1 168 . 1 1 18 18 LEU CA C 13 57.430 0.300 . 1 . . . . 18 LEU CA . 10043 1 169 . 1 1 18 18 LEU CB C 13 41.321 0.300 . 1 . . . . 18 LEU CB . 10043 1 170 . 1 1 18 18 LEU CG C 13 27.560 0.300 . 1 . . . . 18 LEU CG . 10043 1 171 . 1 1 18 18 LEU CD1 C 13 26.150 0.300 . 2 . . . . 18 LEU CD1 . 10043 1 172 . 1 1 18 18 LEU CD2 C 13 23.206 0.300 . 2 . . . . 18 LEU CD2 . 10043 1 173 . 1 1 18 18 LEU N N 15 118.412 0.300 . 1 . . . . 18 LEU N . 10043 1 174 . 1 1 19 19 ARG H H 1 8.404 0.030 . 1 . . . . 19 ARG H . 10043 1 175 . 1 1 19 19 ARG HA H 1 4.114 0.030 . 1 . . . . 19 ARG HA . 10043 1 176 . 1 1 19 19 ARG HB2 H 1 2.003 0.030 . 1 . . . . 19 ARG HB2 . 10043 1 177 . 1 1 19 19 ARG HB3 H 1 2.003 0.030 . 1 . . . . 19 ARG HB3 . 10043 1 178 . 1 1 19 19 ARG HG2 H 1 1.803 0.030 . 2 . . . . 19 ARG HG2 . 10043 1 179 . 1 1 19 19 ARG HG3 H 1 1.674 0.030 . 2 . . . . 19 ARG HG3 . 10043 1 180 . 1 1 19 19 ARG HD2 H 1 3.240 0.030 . 1 . . . . 19 ARG HD2 . 10043 1 181 . 1 1 19 19 ARG HD3 H 1 3.240 0.030 . 1 . . . . 19 ARG HD3 . 10043 1 182 . 1 1 19 19 ARG C C 13 178.993 0.300 . 1 . . . . 19 ARG C . 10043 1 183 . 1 1 19 19 ARG CA C 13 59.251 0.300 . 1 . . . . 19 ARG CA . 10043 1 184 . 1 1 19 19 ARG CB C 13 29.826 0.300 . 1 . . . . 19 ARG CB . 10043 1 185 . 1 1 19 19 ARG CG C 13 27.434 0.300 . 1 . . . . 19 ARG CG . 10043 1 186 . 1 1 19 19 ARG CD C 13 43.547 0.300 . 1 . . . . 19 ARG CD . 10043 1 187 . 1 1 19 19 ARG N N 15 122.684 0.300 . 1 . . . . 19 ARG N . 10043 1 188 . 1 1 20 20 SER H H 1 8.017 0.030 . 1 . . . . 20 SER H . 10043 1 189 . 1 1 20 20 SER HA H 1 4.269 0.030 . 1 . . . . 20 SER HA . 10043 1 190 . 1 1 20 20 SER HB2 H 1 4.052 0.030 . 2 . . . . 20 SER HB2 . 10043 1 191 . 1 1 20 20 SER HB3 H 1 4.011 0.030 . 2 . . . . 20 SER HB3 . 10043 1 192 . 1 1 20 20 SER C C 13 176.788 0.300 . 1 . . . . 20 SER C . 10043 1 193 . 1 1 20 20 SER CA C 13 61.875 0.300 . 1 . . . . 20 SER CA . 10043 1 194 . 1 1 20 20 SER CB C 13 62.692 0.300 . 1 . . . . 20 SER CB . 10043 1 195 . 1 1 20 20 SER N N 15 115.408 0.300 . 1 . . . . 20 SER N . 10043 1 196 . 1 1 21 21 LEU H H 1 7.405 0.030 . 1 . . . . 21 LEU H . 10043 1 197 . 1 1 21 21 LEU HA H 1 4.104 0.030 . 1 . . . . 21 LEU HA . 10043 1 198 . 1 1 21 21 LEU HB2 H 1 1.794 0.030 . 1 . . . . 21 LEU HB2 . 10043 1 199 . 1 1 21 21 LEU HB3 H 1 1.794 0.030 . 1 . . . . 21 LEU HB3 . 10043 1 200 . 1 1 21 21 LEU HG H 1 1.771 0.030 . 1 . . . . 21 LEU HG . 10043 1 201 . 1 1 21 21 LEU HD11 H 1 0.888 0.030 . 1 . . . . 21 LEU HD1 . 10043 1 202 . 1 1 21 21 LEU HD12 H 1 0.888 0.030 . 1 . . . . 21 LEU HD1 . 10043 1 203 . 1 1 21 21 LEU HD13 H 1 0.888 0.030 . 1 . . . . 21 LEU HD1 . 10043 1 204 . 1 1 21 21 LEU HD21 H 1 0.990 0.030 . 1 . . . . 21 LEU HD2 . 10043 1 205 . 1 1 21 21 LEU HD22 H 1 0.990 0.030 . 1 . . . . 21 LEU HD2 . 10043 1 206 . 1 1 21 21 LEU HD23 H 1 0.990 0.030 . 1 . . . . 21 LEU HD2 . 10043 1 207 . 1 1 21 21 LEU C C 13 178.205 0.300 . 1 . . . . 21 LEU C . 10043 1 208 . 1 1 21 21 LEU CA C 13 57.600 0.300 . 1 . . . . 21 LEU CA . 10043 1 209 . 1 1 21 21 LEU CB C 13 41.649 0.300 . 1 . . . . 21 LEU CB . 10043 1 210 . 1 1 21 21 LEU CG C 13 27.048 0.300 . 1 . . . . 21 LEU CG . 10043 1 211 . 1 1 21 21 LEU CD1 C 13 24.743 0.300 . 2 . . . . 21 LEU CD1 . 10043 1 212 . 1 1 21 21 LEU CD2 C 13 25.905 0.300 . 2 . . . . 21 LEU CD2 . 10043 1 213 . 1 1 21 21 LEU N N 15 121.327 0.300 . 1 . . . . 21 LEU N . 10043 1 214 . 1 1 22 22 SER H H 1 8.013 0.030 . 1 . . . . 22 SER H . 10043 1 215 . 1 1 22 22 SER HA H 1 4.093 0.030 . 1 . . . . 22 SER HA . 10043 1 216 . 1 1 22 22 SER HB2 H 1 4.025 0.030 . 2 . . . . 22 SER HB2 . 10043 1 217 . 1 1 22 22 SER HB3 H 1 3.953 0.030 . 2 . . . . 22 SER HB3 . 10043 1 218 . 1 1 22 22 SER C C 13 174.753 0.300 . 1 . . . . 22 SER C . 10043 1 219 . 1 1 22 22 SER CA C 13 61.371 0.300 . 1 . . . . 22 SER CA . 10043 1 220 . 1 1 22 22 SER CB C 13 63.157 0.300 . 1 . . . . 22 SER CB . 10043 1 221 . 1 1 22 22 SER N N 15 113.416 0.300 . 1 . . . . 22 SER N . 10043 1 222 . 1 1 23 23 ASN H H 1 7.693 0.030 . 1 . . . . 23 ASN H . 10043 1 223 . 1 1 23 23 ASN HA H 1 4.723 0.030 . 1 . . . . 23 ASN HA . 10043 1 224 . 1 1 23 23 ASN HB2 H 1 2.763 0.030 . 2 . . . . 23 ASN HB2 . 10043 1 225 . 1 1 23 23 ASN HB3 H 1 2.952 0.030 . 2 . . . . 23 ASN HB3 . 10043 1 226 . 1 1 23 23 ASN HD21 H 1 6.865 0.030 . 2 . . . . 23 ASN HD21 . 10043 1 227 . 1 1 23 23 ASN HD22 H 1 7.576 0.030 . 2 . . . . 23 ASN HD22 . 10043 1 228 . 1 1 23 23 ASN C C 13 175.092 0.300 . 1 . . . . 23 ASN C . 10043 1 229 . 1 1 23 23 ASN CA C 13 53.103 0.300 . 1 . . . . 23 ASN CA . 10043 1 230 . 1 1 23 23 ASN CB C 13 39.184 0.300 . 1 . . . . 23 ASN CB . 10043 1 231 . 1 1 23 23 ASN N N 15 117.197 0.300 . 1 . . . . 23 ASN N . 10043 1 232 . 1 1 23 23 ASN ND2 N 15 112.202 0.300 . 1 . . . . 23 ASN ND2 . 10043 1 233 . 1 1 24 24 ALA H H 1 7.378 0.030 . 1 . . . . 24 ALA H . 10043 1 234 . 1 1 24 24 ALA HA H 1 4.383 0.030 . 1 . . . . 24 ALA HA . 10043 1 235 . 1 1 24 24 ALA HB1 H 1 1.470 0.030 . 1 . . . . 24 ALA HB . 10043 1 236 . 1 1 24 24 ALA HB2 H 1 1.470 0.030 . 1 . . . . 24 ALA HB . 10043 1 237 . 1 1 24 24 ALA HB3 H 1 1.470 0.030 . 1 . . . . 24 ALA HB . 10043 1 238 . 1 1 24 24 ALA C C 13 178.072 0.300 . 1 . . . . 24 ALA C . 10043 1 239 . 1 1 24 24 ALA CA C 13 52.714 0.300 . 1 . . . . 24 ALA CA . 10043 1 240 . 1 1 24 24 ALA CB C 13 19.364 0.300 . 1 . . . . 24 ALA CB . 10043 1 241 . 1 1 24 24 ALA N N 15 123.877 0.300 . 1 . . . . 24 ALA N . 10043 1 242 . 1 1 25 25 THR H H 1 8.633 0.030 . 1 . . . . 25 THR H . 10043 1 243 . 1 1 25 25 THR HA H 1 4.063 0.030 . 1 . . . . 25 THR HA . 10043 1 244 . 1 1 25 25 THR HB H 1 4.203 0.030 . 1 . . . . 25 THR HB . 10043 1 245 . 1 1 25 25 THR HG21 H 1 1.305 0.030 . 1 . . . . 25 THR HG2 . 10043 1 246 . 1 1 25 25 THR HG22 H 1 1.305 0.030 . 1 . . . . 25 THR HG2 . 10043 1 247 . 1 1 25 25 THR HG23 H 1 1.305 0.030 . 1 . . . . 25 THR HG2 . 10043 1 248 . 1 1 25 25 THR C C 13 174.778 0.300 . 1 . . . . 25 THR C . 10043 1 249 . 1 1 25 25 THR CA C 13 64.816 0.300 . 1 . . . . 25 THR CA . 10043 1 250 . 1 1 25 25 THR CB C 13 68.851 0.300 . 1 . . . . 25 THR CB . 10043 1 251 . 1 1 25 25 THR CG2 C 13 22.366 0.300 . 1 . . . . 25 THR CG2 . 10043 1 252 . 1 1 25 25 THR N N 15 117.299 0.300 . 1 . . . . 25 THR N . 10043 1 253 . 1 1 26 26 ILE H H 1 7.555 0.030 . 1 . . . . 26 ILE H . 10043 1 254 . 1 1 26 26 ILE HA H 1 4.314 0.030 . 1 . . . . 26 ILE HA . 10043 1 255 . 1 1 26 26 ILE HB H 1 1.762 0.030 . 1 . . . . 26 ILE HB . 10043 1 256 . 1 1 26 26 ILE HG12 H 1 1.482 0.030 . 2 . . . . 26 ILE HG12 . 10043 1 257 . 1 1 26 26 ILE HG13 H 1 1.109 0.030 . 2 . . . . 26 ILE HG13 . 10043 1 258 . 1 1 26 26 ILE HG21 H 1 0.853 0.030 . 1 . . . . 26 ILE HG2 . 10043 1 259 . 1 1 26 26 ILE HG22 H 1 0.853 0.030 . 1 . . . . 26 ILE HG2 . 10043 1 260 . 1 1 26 26 ILE HG23 H 1 0.853 0.030 . 1 . . . . 26 ILE HG2 . 10043 1 261 . 1 1 26 26 ILE HD11 H 1 0.891 0.030 . 1 . . . . 26 ILE HD1 . 10043 1 262 . 1 1 26 26 ILE HD12 H 1 0.891 0.030 . 1 . . . . 26 ILE HD1 . 10043 1 263 . 1 1 26 26 ILE HD13 H 1 0.891 0.030 . 1 . . . . 26 ILE HD1 . 10043 1 264 . 1 1 26 26 ILE C C 13 174.608 0.300 . 1 . . . . 26 ILE C . 10043 1 265 . 1 1 26 26 ILE CA C 13 59.713 0.300 . 1 . . . . 26 ILE CA . 10043 1 266 . 1 1 26 26 ILE CB C 13 40.786 0.300 . 1 . . . . 26 ILE CB . 10043 1 267 . 1 1 26 26 ILE CG1 C 13 27.486 0.300 . 1 . . . . 26 ILE CG1 . 10043 1 268 . 1 1 26 26 ILE CG2 C 13 17.127 0.300 . 1 . . . . 26 ILE CG2 . 10043 1 269 . 1 1 26 26 ILE CD1 C 13 12.966 0.300 . 1 . . . . 26 ILE CD1 . 10043 1 270 . 1 1 26 26 ILE N N 15 119.590 0.300 . 1 . . . . 26 ILE N . 10043 1 271 . 1 1 27 27 ILE H H 1 8.745 0.030 . 1 . . . . 27 ILE H . 10043 1 272 . 1 1 27 27 ILE HA H 1 3.942 0.030 . 1 . . . . 27 ILE HA . 10043 1 273 . 1 1 27 27 ILE HB H 1 1.874 0.030 . 1 . . . . 27 ILE HB . 10043 1 274 . 1 1 27 27 ILE HG12 H 1 1.471 0.030 . 2 . . . . 27 ILE HG12 . 10043 1 275 . 1 1 27 27 ILE HG13 H 1 1.173 0.030 . 2 . . . . 27 ILE HG13 . 10043 1 276 . 1 1 27 27 ILE HG21 H 1 0.755 0.030 . 1 . . . . 27 ILE HG2 . 10043 1 277 . 1 1 27 27 ILE HG22 H 1 0.755 0.030 . 1 . . . . 27 ILE HG2 . 10043 1 278 . 1 1 27 27 ILE HG23 H 1 0.755 0.030 . 1 . . . . 27 ILE HG2 . 10043 1 279 . 1 1 27 27 ILE HD11 H 1 0.803 0.030 . 1 . . . . 27 ILE HD1 . 10043 1 280 . 1 1 27 27 ILE HD12 H 1 0.803 0.030 . 1 . . . . 27 ILE HD1 . 10043 1 281 . 1 1 27 27 ILE HD13 H 1 0.803 0.030 . 1 . . . . 27 ILE HD1 . 10043 1 282 . 1 1 27 27 ILE C C 13 173.397 0.300 . 1 . . . . 27 ILE C . 10043 1 283 . 1 1 27 27 ILE CA C 13 60.535 0.300 . 1 . . . . 27 ILE CA . 10043 1 284 . 1 1 27 27 ILE CB C 13 36.524 0.300 . 1 . . . . 27 ILE CB . 10043 1 285 . 1 1 27 27 ILE CG1 C 13 27.402 0.300 . 1 . . . . 27 ILE CG1 . 10043 1 286 . 1 1 27 27 ILE CG2 C 13 17.730 0.300 . 1 . . . . 27 ILE CG2 . 10043 1 287 . 1 1 27 27 ILE CD1 C 13 12.692 0.300 . 1 . . . . 27 ILE CD1 . 10043 1 288 . 1 1 27 27 ILE N N 15 125.351 0.300 . 1 . . . . 27 ILE N . 10043 1 289 . 1 1 28 28 ASN H H 1 6.863 0.030 . 1 . . . . 28 ASN H . 10043 1 290 . 1 1 28 28 ASN HA H 1 4.795 0.030 . 1 . . . . 28 ASN HA . 10043 1 291 . 1 1 28 28 ASN HB2 H 1 2.857 0.030 . 2 . . . . 28 ASN HB2 . 10043 1 292 . 1 1 28 28 ASN HB3 H 1 3.375 0.030 . 2 . . . . 28 ASN HB3 . 10043 1 293 . 1 1 28 28 ASN HD21 H 1 7.465 0.030 . 2 . . . . 28 ASN HD21 . 10043 1 294 . 1 1 28 28 ASN HD22 H 1 7.022 0.030 . 2 . . . . 28 ASN HD22 . 10043 1 295 . 1 1 28 28 ASN C C 13 174.887 0.300 . 1 . . . . 28 ASN C . 10043 1 296 . 1 1 28 28 ASN CA C 13 50.911 0.300 . 1 . . . . 28 ASN CA . 10043 1 297 . 1 1 28 28 ASN CB C 13 39.854 0.300 . 1 . . . . 28 ASN CB . 10043 1 298 . 1 1 28 28 ASN N N 15 123.980 0.300 . 1 . . . . 28 ASN N . 10043 1 299 . 1 1 28 28 ASN ND2 N 15 110.325 0.300 . 1 . . . . 28 ASN ND2 . 10043 1 300 . 1 1 29 29 GLU H H 1 8.792 0.030 . 1 . . . . 29 GLU H . 10043 1 301 . 1 1 29 29 GLU HA H 1 3.822 0.030 . 1 . . . . 29 GLU HA . 10043 1 302 . 1 1 29 29 GLU HB2 H 1 2.073 0.030 . 2 . . . . 29 GLU HB2 . 10043 1 303 . 1 1 29 29 GLU HB3 H 1 1.993 0.030 . 2 . . . . 29 GLU HB3 . 10043 1 304 . 1 1 29 29 GLU HG2 H 1 2.279 0.030 . 2 . . . . 29 GLU HG2 . 10043 1 305 . 1 1 29 29 GLU HG3 H 1 2.333 0.030 . 2 . . . . 29 GLU HG3 . 10043 1 306 . 1 1 29 29 GLU C C 13 177.491 0.300 . 1 . . . . 29 GLU C . 10043 1 307 . 1 1 29 29 GLU CA C 13 60.371 0.300 . 1 . . . . 29 GLU CA . 10043 1 308 . 1 1 29 29 GLU CB C 13 29.338 0.300 . 1 . . . . 29 GLU CB . 10043 1 309 . 1 1 29 29 GLU CG C 13 36.312 0.300 . 1 . . . . 29 GLU CG . 10043 1 310 . 1 1 29 29 GLU N N 15 119.403 0.300 . 1 . . . . 29 GLU N . 10043 1 311 . 1 1 30 30 GLU H H 1 8.080 0.030 . 1 . . . . 30 GLU H . 10043 1 312 . 1 1 30 30 GLU HA H 1 4.090 0.030 . 1 . . . . 30 GLU HA . 10043 1 313 . 1 1 30 30 GLU HB2 H 1 2.143 0.030 . 2 . . . . 30 GLU HB2 . 10043 1 314 . 1 1 30 30 GLU HB3 H 1 2.080 0.030 . 2 . . . . 30 GLU HB3 . 10043 1 315 . 1 1 30 30 GLU HG2 H 1 2.323 0.030 . 1 . . . . 30 GLU HG2 . 10043 1 316 . 1 1 30 30 GLU HG3 H 1 2.323 0.030 . 1 . . . . 30 GLU HG3 . 10043 1 317 . 1 1 30 30 GLU C C 13 179.877 0.300 . 1 . . . . 30 GLU C . 10043 1 318 . 1 1 30 30 GLU CA C 13 60.107 0.300 . 1 . . . . 30 GLU CA . 10043 1 319 . 1 1 30 30 GLU CB C 13 29.109 0.300 . 1 . . . . 30 GLU CB . 10043 1 320 . 1 1 30 30 GLU CG C 13 36.559 0.300 . 1 . . . . 30 GLU CG . 10043 1 321 . 1 1 30 30 GLU N N 15 119.283 0.300 . 1 . . . . 30 GLU N . 10043 1 322 . 1 1 31 31 VAL H H 1 8.172 0.030 . 1 . . . . 31 VAL H . 10043 1 323 . 1 1 31 31 VAL HA H 1 3.841 0.030 . 1 . . . . 31 VAL HA . 10043 1 324 . 1 1 31 31 VAL HB H 1 2.113 0.030 . 1 . . . . 31 VAL HB . 10043 1 325 . 1 1 31 31 VAL HG11 H 1 1.054 0.030 . 1 . . . . 31 VAL HG1 . 10043 1 326 . 1 1 31 31 VAL HG12 H 1 1.054 0.030 . 1 . . . . 31 VAL HG1 . 10043 1 327 . 1 1 31 31 VAL HG13 H 1 1.054 0.030 . 1 . . . . 31 VAL HG1 . 10043 1 328 . 1 1 31 31 VAL HG21 H 1 1.283 0.030 . 1 . . . . 31 VAL HG2 . 10043 1 329 . 1 1 31 31 VAL HG22 H 1 1.283 0.030 . 1 . . . . 31 VAL HG2 . 10043 1 330 . 1 1 31 31 VAL HG23 H 1 1.283 0.030 . 1 . . . . 31 VAL HG2 . 10043 1 331 . 1 1 31 31 VAL C C 13 179.065 0.300 . 1 . . . . 31 VAL C . 10043 1 332 . 1 1 31 31 VAL CA C 13 66.036 0.300 . 1 . . . . 31 VAL CA . 10043 1 333 . 1 1 31 31 VAL CB C 13 32.932 0.300 . 1 . . . . 31 VAL CB . 10043 1 334 . 1 1 31 31 VAL CG1 C 13 21.473 0.300 . 2 . . . . 31 VAL CG1 . 10043 1 335 . 1 1 31 31 VAL CG2 C 13 22.438 0.300 . 2 . . . . 31 VAL CG2 . 10043 1 336 . 1 1 31 31 VAL N N 15 121.189 0.300 . 1 . . . . 31 VAL N . 10043 1 337 . 1 1 32 32 LEU H H 1 8.219 0.030 . 1 . . . . 32 LEU H . 10043 1 338 . 1 1 32 32 LEU HA H 1 3.994 0.030 . 1 . . . . 32 LEU HA . 10043 1 339 . 1 1 32 32 LEU HB2 H 1 1.897 0.030 . 2 . . . . 32 LEU HB2 . 10043 1 340 . 1 1 32 32 LEU HB3 H 1 1.447 0.030 . 2 . . . . 32 LEU HB3 . 10043 1 341 . 1 1 32 32 LEU HG H 1 1.614 0.030 . 1 . . . . 32 LEU HG . 10043 1 342 . 1 1 32 32 LEU HD11 H 1 0.907 0.030 . 1 . . . . 32 LEU HD1 . 10043 1 343 . 1 1 32 32 LEU HD12 H 1 0.907 0.030 . 1 . . . . 32 LEU HD1 . 10043 1 344 . 1 1 32 32 LEU HD13 H 1 0.907 0.030 . 1 . . . . 32 LEU HD1 . 10043 1 345 . 1 1 32 32 LEU HD21 H 1 0.843 0.030 . 1 . . . . 32 LEU HD2 . 10043 1 346 . 1 1 32 32 LEU HD22 H 1 0.843 0.030 . 1 . . . . 32 LEU HD2 . 10043 1 347 . 1 1 32 32 LEU HD23 H 1 0.843 0.030 . 1 . . . . 32 LEU HD2 . 10043 1 348 . 1 1 32 32 LEU C C 13 178.387 0.300 . 1 . . . . 32 LEU C . 10043 1 349 . 1 1 32 32 LEU CA C 13 58.468 0.300 . 1 . . . . 32 LEU CA . 10043 1 350 . 1 1 32 32 LEU CB C 13 41.952 0.300 . 1 . . . . 32 LEU CB . 10043 1 351 . 1 1 32 32 LEU CG C 13 27.048 0.300 . 1 . . . . 32 LEU CG . 10043 1 352 . 1 1 32 32 LEU CD1 C 13 26.064 0.300 . 2 . . . . 32 LEU CD1 . 10043 1 353 . 1 1 32 32 LEU CD2 C 13 24.487 0.300 . 2 . . . . 32 LEU CD2 . 10043 1 354 . 1 1 32 32 LEU N N 15 121.656 0.300 . 1 . . . . 32 LEU N . 10043 1 355 . 1 1 33 33 ASN H H 1 8.973 0.030 . 1 . . . . 33 ASN H . 10043 1 356 . 1 1 33 33 ASN HA H 1 4.441 0.030 . 1 . . . . 33 ASN HA . 10043 1 357 . 1 1 33 33 ASN HB2 H 1 2.763 0.030 . 2 . . . . 33 ASN HB2 . 10043 1 358 . 1 1 33 33 ASN HB3 H 1 2.974 0.030 . 2 . . . . 33 ASN HB3 . 10043 1 359 . 1 1 33 33 ASN HD21 H 1 7.604 0.030 . 2 . . . . 33 ASN HD21 . 10043 1 360 . 1 1 33 33 ASN HD22 H 1 6.992 0.030 . 2 . . . . 33 ASN HD22 . 10043 1 361 . 1 1 33 33 ASN C C 13 178.557 0.300 . 1 . . . . 33 ASN C . 10043 1 362 . 1 1 33 33 ASN CA C 13 56.010 0.300 . 1 . . . . 33 ASN CA . 10043 1 363 . 1 1 33 33 ASN CB C 13 37.580 0.300 . 1 . . . . 33 ASN CB . 10043 1 364 . 1 1 33 33 ASN N N 15 117.668 0.300 . 1 . . . . 33 ASN N . 10043 1 365 . 1 1 33 33 ASN ND2 N 15 111.394 0.300 . 2 . . . . 33 ASN ND2 . 10043 1 366 . 1 1 34 34 ALA H H 1 8.214 0.030 . 1 . . . . 34 ALA H . 10043 1 367 . 1 1 34 34 ALA HA H 1 4.228 0.030 . 1 . . . . 34 ALA HA . 10043 1 368 . 1 1 34 34 ALA HB1 H 1 1.593 0.030 . 1 . . . . 34 ALA HB . 10043 1 369 . 1 1 34 34 ALA HB2 H 1 1.593 0.030 . 1 . . . . 34 ALA HB . 10043 1 370 . 1 1 34 34 ALA HB3 H 1 1.593 0.030 . 1 . . . . 34 ALA HB . 10043 1 371 . 1 1 34 34 ALA C C 13 180.167 0.300 . 1 . . . . 34 ALA C . 10043 1 372 . 1 1 34 34 ALA CA C 13 55.511 0.300 . 1 . . . . 34 ALA CA . 10043 1 373 . 1 1 34 34 ALA CB C 13 17.929 0.300 . 1 . . . . 34 ALA CB . 10043 1 374 . 1 1 34 34 ALA N N 15 124.508 0.300 . 1 . . . . 34 ALA N . 10043 1 375 . 1 1 35 35 MET H H 1 7.832 0.030 . 1 . . . . 35 MET H . 10043 1 376 . 1 1 35 35 MET HA H 1 4.304 0.030 . 1 . . . . 35 MET HA . 10043 1 377 . 1 1 35 35 MET HB2 H 1 2.252 0.030 . 2 . . . . 35 MET HB2 . 10043 1 378 . 1 1 35 35 MET HB3 H 1 2.333 0.030 . 2 . . . . 35 MET HB3 . 10043 1 379 . 1 1 35 35 MET HG2 H 1 2.624 0.030 . 2 . . . . 35 MET HG2 . 10043 1 380 . 1 1 35 35 MET HG3 H 1 2.333 0.030 . 2 . . . . 35 MET HG3 . 10043 1 381 . 1 1 35 35 MET HE1 H 1 1.848 0.030 . 1 . . . . 35 MET HE . 10043 1 382 . 1 1 35 35 MET HE2 H 1 1.848 0.030 . 1 . . . . 35 MET HE . 10043 1 383 . 1 1 35 35 MET HE3 H 1 1.848 0.030 . 1 . . . . 35 MET HE . 10043 1 384 . 1 1 35 35 MET C C 13 178.666 0.300 . 1 . . . . 35 MET C . 10043 1 385 . 1 1 35 35 MET CA C 13 59.159 0.300 . 1 . . . . 35 MET CA . 10043 1 386 . 1 1 35 35 MET CB C 13 30.632 0.300 . 1 . . . . 35 MET CB . 10043 1 387 . 1 1 35 35 MET CG C 13 31.569 0.300 . 1 . . . . 35 MET CG . 10043 1 388 . 1 1 35 35 MET CE C 13 17.058 0.300 . 1 . . . . 35 MET CE . 10043 1 389 . 1 1 35 35 MET N N 15 120.324 0.300 . 1 . . . . 35 MET N . 10043 1 390 . 1 1 36 36 LEU H H 1 8.618 0.030 . 1 . . . . 36 LEU H . 10043 1 391 . 1 1 36 36 LEU HA H 1 3.959 0.030 . 1 . . . . 36 LEU HA . 10043 1 392 . 1 1 36 36 LEU HB2 H 1 2.002 0.030 . 2 . . . . 36 LEU HB2 . 10043 1 393 . 1 1 36 36 LEU HB3 H 1 1.362 0.030 . 2 . . . . 36 LEU HB3 . 10043 1 394 . 1 1 36 36 LEU HG H 1 1.817 0.030 . 1 . . . . 36 LEU HG . 10043 1 395 . 1 1 36 36 LEU HD11 H 1 0.892 0.030 . 1 . . . . 36 LEU HD1 . 10043 1 396 . 1 1 36 36 LEU HD12 H 1 0.892 0.030 . 1 . . . . 36 LEU HD1 . 10043 1 397 . 1 1 36 36 LEU HD13 H 1 0.892 0.030 . 1 . . . . 36 LEU HD1 . 10043 1 398 . 1 1 36 36 LEU HD21 H 1 0.793 0.030 . 1 . . . . 36 LEU HD2 . 10043 1 399 . 1 1 36 36 LEU HD22 H 1 0.793 0.030 . 1 . . . . 36 LEU HD2 . 10043 1 400 . 1 1 36 36 LEU HD23 H 1 0.793 0.030 . 1 . . . . 36 LEU HD2 . 10043 1 401 . 1 1 36 36 LEU C C 13 178.895 0.300 . 1 . . . . 36 LEU C . 10043 1 402 . 1 1 36 36 LEU CA C 13 57.797 0.300 . 1 . . . . 36 LEU CA . 10043 1 403 . 1 1 36 36 LEU CB C 13 41.958 0.300 . 1 . . . . 36 LEU CB . 10043 1 404 . 1 1 36 36 LEU CG C 13 27.048 0.300 . 1 . . . . 36 LEU CG . 10043 1 405 . 1 1 36 36 LEU CD1 C 13 25.461 0.300 . 2 . . . . 36 LEU CD1 . 10043 1 406 . 1 1 36 36 LEU CD2 C 13 22.694 0.300 . 2 . . . . 36 LEU CD2 . 10043 1 407 . 1 1 36 36 LEU N N 15 119.694 0.300 . 1 . . . . 36 LEU N . 10043 1 408 . 1 1 37 37 LYS H H 1 8.438 0.030 . 1 . . . . 37 LYS H . 10043 1 409 . 1 1 37 37 LYS HA H 1 4.072 0.030 . 1 . . . . 37 LYS HA . 10043 1 410 . 1 1 37 37 LYS HB2 H 1 1.980 0.030 . 2 . . . . 37 LYS HB2 . 10043 1 411 . 1 1 37 37 LYS HB3 H 1 2.053 0.030 . 2 . . . . 37 LYS HB3 . 10043 1 412 . 1 1 37 37 LYS HG2 H 1 1.495 0.030 . 2 . . . . 37 LYS HG2 . 10043 1 413 . 1 1 37 37 LYS HG3 H 1 1.384 0.030 . 2 . . . . 37 LYS HG3 . 10043 1 414 . 1 1 37 37 LYS HE2 H 1 2.974 0.030 . 1 . . . . 37 LYS HE2 . 10043 1 415 . 1 1 37 37 LYS HE3 H 1 2.974 0.030 . 1 . . . . 37 LYS HE3 . 10043 1 416 . 1 1 37 37 LYS C C 13 179.465 0.300 . 1 . . . . 37 LYS C . 10043 1 417 . 1 1 37 37 LYS CA C 13 60.029 0.300 . 1 . . . . 37 LYS CA . 10043 1 418 . 1 1 37 37 LYS CB C 13 32.170 0.300 . 1 . . . . 37 LYS CB . 10043 1 419 . 1 1 37 37 LYS CG C 13 24.910 0.300 . 1 . . . . 37 LYS CG . 10043 1 420 . 1 1 37 37 LYS CD C 13 29.571 0.300 . 1 . . . . 37 LYS CD . 10043 1 421 . 1 1 37 37 LYS CE C 13 42.067 0.300 . 1 . . . . 37 LYS CE . 10043 1 422 . 1 1 37 37 LYS N N 15 121.798 0.300 . 1 . . . . 37 LYS N . 10043 1 423 . 1 1 38 38 GLU H H 1 7.730 0.030 . 1 . . . . 38 GLU H . 10043 1 424 . 1 1 38 38 GLU HA H 1 4.103 0.030 . 1 . . . . 38 GLU HA . 10043 1 425 . 1 1 38 38 GLU HB2 H 1 2.160 0.030 . 2 . . . . 38 GLU HB2 . 10043 1 426 . 1 1 38 38 GLU HB3 H 1 2.295 0.030 . 2 . . . . 38 GLU HB3 . 10043 1 427 . 1 1 38 38 GLU HG2 H 1 2.503 0.030 . 1 . . . . 38 GLU HG2 . 10043 1 428 . 1 1 38 38 GLU HG3 H 1 2.503 0.030 . 1 . . . . 38 GLU HG3 . 10043 1 429 . 1 1 38 38 GLU C C 13 180.119 0.300 . 1 . . . . 38 GLU C . 10043 1 430 . 1 1 38 38 GLU CA C 13 60.048 0.300 . 1 . . . . 38 GLU CA . 10043 1 431 . 1 1 38 38 GLU CB C 13 30.047 0.300 . 1 . . . . 38 GLU CB . 10043 1 432 . 1 1 38 38 GLU CG C 13 36.395 0.300 . 1 . . . . 38 GLU CG . 10043 1 433 . 1 1 38 38 GLU N N 15 120.547 0.300 . 1 . . . . 38 GLU N . 10043 1 434 . 1 1 39 39 VAL H H 1 8.473 0.030 . 1 . . . . 39 VAL H . 10043 1 435 . 1 1 39 39 VAL HA H 1 3.412 0.030 . 1 . . . . 39 VAL HA . 10043 1 436 . 1 1 39 39 VAL HB H 1 2.194 0.030 . 1 . . . . 39 VAL HB . 10043 1 437 . 1 1 39 39 VAL HG11 H 1 0.843 0.030 . 1 . . . . 39 VAL HG1 . 10043 1 438 . 1 1 39 39 VAL HG12 H 1 0.843 0.030 . 1 . . . . 39 VAL HG1 . 10043 1 439 . 1 1 39 39 VAL HG13 H 1 0.843 0.030 . 1 . . . . 39 VAL HG1 . 10043 1 440 . 1 1 39 39 VAL HG21 H 1 1.033 0.030 . 1 . . . . 39 VAL HG2 . 10043 1 441 . 1 1 39 39 VAL HG22 H 1 1.033 0.030 . 1 . . . . 39 VAL HG2 . 10043 1 442 . 1 1 39 39 VAL HG23 H 1 1.033 0.030 . 1 . . . . 39 VAL HG2 . 10043 1 443 . 1 1 39 39 VAL C C 13 177.188 0.300 . 1 . . . . 39 VAL C . 10043 1 444 . 1 1 39 39 VAL CA C 13 67.187 0.300 . 1 . . . . 39 VAL CA . 10043 1 445 . 1 1 39 39 VAL CB C 13 32.114 0.300 . 1 . . . . 39 VAL CB . 10043 1 446 . 1 1 39 39 VAL CG1 C 13 20.901 0.300 . 2 . . . . 39 VAL CG1 . 10043 1 447 . 1 1 39 39 VAL CG2 C 13 23.842 0.300 . 2 . . . . 39 VAL CG2 . 10043 1 448 . 1 1 39 39 VAL N N 15 120.262 0.300 . 1 . . . . 39 VAL N . 10043 1 449 . 1 1 40 40 CYS H H 1 8.952 0.030 . 1 . . . . 40 CYS H . 10043 1 450 . 1 1 40 40 CYS HA H 1 3.973 0.030 . 1 . . . . 40 CYS HA . 10043 1 451 . 1 1 40 40 CYS HB2 H 1 3.120 0.030 . 2 . . . . 40 CYS HB2 . 10043 1 452 . 1 1 40 40 CYS HB3 H 1 2.679 0.030 . 2 . . . . 40 CYS HB3 . 10043 1 453 . 1 1 40 40 CYS C C 13 176.679 0.300 . 1 . . . . 40 CYS C . 10043 1 454 . 1 1 40 40 CYS CA C 13 65.317 0.300 . 1 . . . . 40 CYS CA . 10043 1 455 . 1 1 40 40 CYS CB C 13 27.123 0.300 . 1 . . . . 40 CYS CB . 10043 1 456 . 1 1 40 40 CYS N N 15 116.721 0.300 . 1 . . . . 40 CYS N . 10043 1 457 . 1 1 41 41 THR H H 1 8.383 0.030 . 1 . . . . 41 THR H . 10043 1 458 . 1 1 41 41 THR HA H 1 3.873 0.030 . 1 . . . . 41 THR HA . 10043 1 459 . 1 1 41 41 THR HB H 1 4.224 0.030 . 1 . . . . 41 THR HB . 10043 1 460 . 1 1 41 41 THR HG21 H 1 1.231 0.030 . 1 . . . . 41 THR HG2 . 10043 1 461 . 1 1 41 41 THR HG22 H 1 1.231 0.030 . 1 . . . . 41 THR HG2 . 10043 1 462 . 1 1 41 41 THR HG23 H 1 1.231 0.030 . 1 . . . . 41 THR HG2 . 10043 1 463 . 1 1 41 41 THR C C 13 175.432 0.300 . 1 . . . . 41 THR C . 10043 1 464 . 1 1 41 41 THR CA C 13 67.490 0.300 . 1 . . . . 41 THR CA . 10043 1 465 . 1 1 41 41 THR CB C 13 68.768 0.300 . 1 . . . . 41 THR CB . 10043 1 466 . 1 1 41 41 THR CG2 C 13 21.473 0.300 . 1 . . . . 41 THR CG2 . 10043 1 467 . 1 1 41 41 THR N N 15 116.411 0.300 . 1 . . . . 41 THR N . 10043 1 468 . 1 1 42 42 ALA H H 1 7.619 0.030 . 1 . . . . 42 ALA H . 10043 1 469 . 1 1 42 42 ALA HA H 1 4.103 0.030 . 1 . . . . 42 ALA HA . 10043 1 470 . 1 1 42 42 ALA HB1 H 1 1.502 0.030 . 1 . . . . 42 ALA HB . 10043 1 471 . 1 1 42 42 ALA HB2 H 1 1.502 0.030 . 1 . . . . 42 ALA HB . 10043 1 472 . 1 1 42 42 ALA HB3 H 1 1.502 0.030 . 1 . . . . 42 ALA HB . 10043 1 473 . 1 1 42 42 ALA C C 13 180.289 0.300 . 1 . . . . 42 ALA C . 10043 1 474 . 1 1 42 42 ALA CA C 13 55.121 0.300 . 1 . . . . 42 ALA CA . 10043 1 475 . 1 1 42 42 ALA CB C 13 18.059 0.300 . 1 . . . . 42 ALA CB . 10043 1 476 . 1 1 42 42 ALA N N 15 123.011 0.300 . 1 . . . . 42 ALA N . 10043 1 477 . 1 1 43 43 LEU H H 1 8.001 0.030 . 1 . . . . 43 LEU H . 10043 1 478 . 1 1 43 43 LEU HA H 1 3.953 0.030 . 1 . . . . 43 LEU HA . 10043 1 479 . 1 1 43 43 LEU HB2 H 1 2.103 0.030 . 2 . . . . 43 LEU HB2 . 10043 1 480 . 1 1 43 43 LEU HB3 H 1 1.142 0.030 . 2 . . . . 43 LEU HB3 . 10043 1 481 . 1 1 43 43 LEU HG H 1 2.023 0.030 . 1 . . . . 43 LEU HG . 10043 1 482 . 1 1 43 43 LEU HD11 H 1 0.834 0.030 . 1 . . . . 43 LEU HD1 . 10043 1 483 . 1 1 43 43 LEU HD12 H 1 0.834 0.030 . 1 . . . . 43 LEU HD1 . 10043 1 484 . 1 1 43 43 LEU HD13 H 1 0.834 0.030 . 1 . . . . 43 LEU HD1 . 10043 1 485 . 1 1 43 43 LEU HD21 H 1 0.883 0.030 . 1 . . . . 43 LEU HD2 . 10043 1 486 . 1 1 43 43 LEU HD22 H 1 0.883 0.030 . 1 . . . . 43 LEU HD2 . 10043 1 487 . 1 1 43 43 LEU HD23 H 1 0.883 0.030 . 1 . . . . 43 LEU HD2 . 10043 1 488 . 1 1 43 43 LEU CA C 13 57.995 0.300 . 1 . . . . 43 LEU CA . 10043 1 489 . 1 1 43 43 LEU CB C 13 42.161 0.300 . 1 . . . . 43 LEU CB . 10043 1 490 . 1 1 43 43 LEU CG C 13 26.605 0.300 . 1 . . . . 43 LEU CG . 10043 1 491 . 1 1 43 43 LEU CD1 C 13 24.100 0.300 . 2 . . . . 43 LEU CD1 . 10043 1 492 . 1 1 43 43 LEU CD2 C 13 27.716 0.300 . 2 . . . . 43 LEU CD2 . 10043 1 493 . 1 1 43 43 LEU N N 15 117.067 0.300 . 1 . . . . 43 LEU N . 10043 1 494 . 1 1 44 44 LEU H H 1 8.353 0.030 . 1 . . . . 44 LEU H . 10043 1 495 . 1 1 44 44 LEU HA H 1 4.224 0.030 . 1 . . . . 44 LEU HA . 10043 1 496 . 1 1 44 44 LEU HB2 H 1 2.052 0.030 . 2 . . . . 44 LEU HB2 . 10043 1 497 . 1 1 44 44 LEU HB3 H 1 1.581 0.030 . 2 . . . . 44 LEU HB3 . 10043 1 498 . 1 1 44 44 LEU HG H 1 1.923 0.030 . 1 . . . . 44 LEU HG . 10043 1 499 . 1 1 44 44 LEU HD11 H 1 0.983 0.030 . 1 . . . . 44 LEU HD1 . 10043 1 500 . 1 1 44 44 LEU HD12 H 1 0.983 0.030 . 1 . . . . 44 LEU HD1 . 10043 1 501 . 1 1 44 44 LEU HD13 H 1 0.983 0.030 . 1 . . . . 44 LEU HD1 . 10043 1 502 . 1 1 44 44 LEU HD21 H 1 0.929 0.030 . 1 . . . . 44 LEU HD2 . 10043 1 503 . 1 1 44 44 LEU HD22 H 1 0.929 0.030 . 1 . . . . 44 LEU HD2 . 10043 1 504 . 1 1 44 44 LEU HD23 H 1 0.929 0.030 . 1 . . . . 44 LEU HD2 . 10043 1 505 . 1 1 44 44 LEU C C 13 182.336 0.300 . 1 . . . . 44 LEU C . 10043 1 506 . 1 1 44 44 LEU CA C 13 58.254 0.300 . 1 . . . . 44 LEU CA . 10043 1 507 . 1 1 44 44 LEU CB C 13 41.303 0.300 . 1 . . . . 44 LEU CB . 10043 1 508 . 1 1 44 44 LEU CG C 13 27.082 0.300 . 1 . . . . 44 LEU CG . 10043 1 509 . 1 1 44 44 LEU CD1 C 13 23.077 0.300 . 2 . . . . 44 LEU CD1 . 10043 1 510 . 1 1 44 44 LEU CD2 C 13 25.511 0.300 . 2 . . . . 44 LEU CD2 . 10043 1 511 . 1 1 44 44 LEU N N 15 121.116 0.300 . 1 . . . . 44 LEU N . 10043 1 512 . 1 1 45 45 GLU H H 1 8.433 0.030 . 1 . . . . 45 GLU H . 10043 1 513 . 1 1 45 45 GLU HA H 1 4.124 0.030 . 1 . . . . 45 GLU HA . 10043 1 514 . 1 1 45 45 GLU HB2 H 1 2.203 0.030 . 2 . . . . 45 GLU HB2 . 10043 1 515 . 1 1 45 45 GLU HB3 H 1 2.063 0.030 . 2 . . . . 45 GLU HB3 . 10043 1 516 . 1 1 45 45 GLU HG2 H 1 2.281 0.030 . 2 . . . . 45 GLU HG2 . 10043 1 517 . 1 1 45 45 GLU HG3 H 1 2.594 0.030 . 2 . . . . 45 GLU HG3 . 10043 1 518 . 1 1 45 45 GLU C C 13 176.813 0.300 . 1 . . . . 45 GLU C . 10043 1 519 . 1 1 45 45 GLU CA C 13 58.751 0.300 . 1 . . . . 45 GLU CA . 10043 1 520 . 1 1 45 45 GLU CB C 13 29.279 0.300 . 1 . . . . 45 GLU CB . 10043 1 521 . 1 1 45 45 GLU CG C 13 37.134 0.300 . 1 . . . . 45 GLU CG . 10043 1 522 . 1 1 45 45 GLU N N 15 120.681 0.300 . 1 . . . . 45 GLU N . 10043 1 523 . 1 1 46 46 ALA H H 1 7.423 0.030 . 1 . . . . 46 ALA H . 10043 1 524 . 1 1 46 46 ALA HA H 1 4.547 0.030 . 1 . . . . 46 ALA HA . 10043 1 525 . 1 1 46 46 ALA HB1 H 1 1.564 0.030 . 1 . . . . 46 ALA HB . 10043 1 526 . 1 1 46 46 ALA HB2 H 1 1.564 0.030 . 1 . . . . 46 ALA HB . 10043 1 527 . 1 1 46 46 ALA HB3 H 1 1.564 0.030 . 1 . . . . 46 ALA HB . 10043 1 528 . 1 1 46 46 ALA C C 13 175.710 0.300 . 1 . . . . 46 ALA C . 10043 1 529 . 1 1 46 46 ALA CA C 13 51.515 0.300 . 1 . . . . 46 ALA CA . 10043 1 530 . 1 1 46 46 ALA CB C 13 19.269 0.300 . 1 . . . . 46 ALA CB . 10043 1 531 . 1 1 46 46 ALA N N 15 121.630 0.300 . 1 . . . . 46 ALA N . 10043 1 532 . 1 1 47 47 ASP H H 1 7.943 0.030 . 1 . . . . 47 ASP H . 10043 1 533 . 1 1 47 47 ASP HA H 1 4.382 0.030 . 1 . . . . 47 ASP HA . 10043 1 534 . 1 1 47 47 ASP HB2 H 1 3.103 0.030 . 2 . . . . 47 ASP HB2 . 10043 1 535 . 1 1 47 47 ASP HB3 H 1 2.753 0.030 . 2 . . . . 47 ASP HB3 . 10043 1 536 . 1 1 47 47 ASP C C 13 175.456 0.300 . 1 . . . . 47 ASP C . 10043 1 537 . 1 1 47 47 ASP CA C 13 55.866 0.300 . 1 . . . . 47 ASP CA . 10043 1 538 . 1 1 47 47 ASP CB C 13 39.060 0.300 . 1 . . . . 47 ASP CB . 10043 1 539 . 1 1 47 47 ASP N N 15 113.784 0.300 . 1 . . . . 47 ASP N . 10043 1 540 . 1 1 48 48 VAL H H 1 7.731 0.030 . 1 . . . . 48 VAL H . 10043 1 541 . 1 1 48 48 VAL HA H 1 3.833 0.030 . 1 . . . . 48 VAL HA . 10043 1 542 . 1 1 48 48 VAL HB H 1 1.493 0.030 . 1 . . . . 48 VAL HB . 10043 1 543 . 1 1 48 48 VAL HG11 H 1 1.033 0.030 . 1 . . . . 48 VAL HG1 . 10043 1 544 . 1 1 48 48 VAL HG12 H 1 1.033 0.030 . 1 . . . . 48 VAL HG1 . 10043 1 545 . 1 1 48 48 VAL HG13 H 1 1.033 0.030 . 1 . . . . 48 VAL HG1 . 10043 1 546 . 1 1 48 48 VAL HG21 H 1 0.943 0.030 . 1 . . . . 48 VAL HG2 . 10043 1 547 . 1 1 48 48 VAL HG22 H 1 0.943 0.030 . 1 . . . . 48 VAL HG2 . 10043 1 548 . 1 1 48 48 VAL HG23 H 1 0.943 0.030 . 1 . . . . 48 VAL HG2 . 10043 1 549 . 1 1 48 48 VAL C C 13 175.892 0.300 . 1 . . . . 48 VAL C . 10043 1 550 . 1 1 48 48 VAL CA C 13 63.351 0.300 . 1 . . . . 48 VAL CA . 10043 1 551 . 1 1 48 48 VAL CB C 13 31.046 0.300 . 1 . . . . 48 VAL CB . 10043 1 552 . 1 1 48 48 VAL CG1 C 13 22.501 0.300 . 2 . . . . 48 VAL CG1 . 10043 1 553 . 1 1 48 48 VAL CG2 C 13 22.662 0.300 . 2 . . . . 48 VAL CG2 . 10043 1 554 . 1 1 48 48 VAL N N 15 120.417 0.300 . 1 . . . . 48 VAL N . 10043 1 555 . 1 1 49 49 ASN H H 1 8.493 0.030 . 1 . . . . 49 ASN H . 10043 1 556 . 1 1 49 49 ASN HA H 1 4.396 0.030 . 1 . . . . 49 ASN HA . 10043 1 557 . 1 1 49 49 ASN HB2 H 1 3.043 0.030 . 2 . . . . 49 ASN HB2 . 10043 1 558 . 1 1 49 49 ASN HB3 H 1 2.572 0.030 . 2 . . . . 49 ASN HB3 . 10043 1 559 . 1 1 49 49 ASN HD21 H 1 8.001 0.030 . 2 . . . . 49 ASN HD21 . 10043 1 560 . 1 1 49 49 ASN HD22 H 1 7.113 0.030 . 2 . . . . 49 ASN HD22 . 10043 1 561 . 1 1 49 49 ASN C C 13 177.079 0.300 . 1 . . . . 49 ASN C . 10043 1 562 . 1 1 49 49 ASN CA C 13 55.152 0.300 . 1 . . . . 49 ASN CA . 10043 1 563 . 1 1 49 49 ASN CB C 13 40.581 0.300 . 1 . . . . 49 ASN CB . 10043 1 564 . 1 1 49 49 ASN N N 15 126.137 0.300 . 1 . . . . 49 ASN N . 10043 1 565 . 1 1 49 49 ASN ND2 N 15 114.600 0.300 . 1 . . . . 49 ASN ND2 . 10043 1 566 . 1 1 50 50 ILE H H 1 8.745 0.030 . 1 . . . . 50 ILE H . 10043 1 567 . 1 1 50 50 ILE HA H 1 3.909 0.030 . 1 . . . . 50 ILE HA . 10043 1 568 . 1 1 50 50 ILE HB H 1 1.936 0.030 . 1 . . . . 50 ILE HB . 10043 1 569 . 1 1 50 50 ILE HG12 H 1 1.328 0.030 . 2 . . . . 50 ILE HG12 . 10043 1 570 . 1 1 50 50 ILE HG13 H 1 1.479 0.030 . 2 . . . . 50 ILE HG13 . 10043 1 571 . 1 1 50 50 ILE HG21 H 1 1.021 0.030 . 1 . . . . 50 ILE HG2 . 10043 1 572 . 1 1 50 50 ILE HG22 H 1 1.021 0.030 . 1 . . . . 50 ILE HG2 . 10043 1 573 . 1 1 50 50 ILE HG23 H 1 1.021 0.030 . 1 . . . . 50 ILE HG2 . 10043 1 574 . 1 1 50 50 ILE HD11 H 1 0.987 0.030 . 1 . . . . 50 ILE HD1 . 10043 1 575 . 1 1 50 50 ILE HD12 H 1 0.987 0.030 . 1 . . . . 50 ILE HD1 . 10043 1 576 . 1 1 50 50 ILE HD13 H 1 0.987 0.030 . 1 . . . . 50 ILE HD1 . 10043 1 577 . 1 1 50 50 ILE C C 13 176.074 0.300 . 1 . . . . 50 ILE C . 10043 1 578 . 1 1 50 50 ILE CA C 13 63.884 0.300 . 1 . . . . 50 ILE CA . 10043 1 579 . 1 1 50 50 ILE CB C 13 38.197 0.300 . 1 . . . . 50 ILE CB . 10043 1 580 . 1 1 50 50 ILE CG1 C 13 29.161 0.300 . 1 . . . . 50 ILE CG1 . 10043 1 581 . 1 1 50 50 ILE CG2 C 13 17.355 0.300 . 1 . . . . 50 ILE CG2 . 10043 1 582 . 1 1 50 50 ILE CD1 C 13 14.316 0.300 . 1 . . . . 50 ILE CD1 . 10043 1 583 . 1 1 50 50 ILE N N 15 125.953 0.300 . 1 . . . . 50 ILE N . 10043 1 584 . 1 1 51 51 LYS H H 1 8.340 0.030 . 1 . . . . 51 LYS H . 10043 1 585 . 1 1 51 51 LYS HA H 1 4.021 0.030 . 1 . . . . 51 LYS HA . 10043 1 586 . 1 1 51 51 LYS HB2 H 1 1.874 0.030 . 2 . . . . 51 LYS HB2 . 10043 1 587 . 1 1 51 51 LYS HB3 H 1 1.803 0.030 . 2 . . . . 51 LYS HB3 . 10043 1 588 . 1 1 51 51 LYS HG2 H 1 1.555 0.030 . 2 . . . . 51 LYS HG2 . 10043 1 589 . 1 1 51 51 LYS HG3 H 1 1.394 0.030 . 2 . . . . 51 LYS HG3 . 10043 1 590 . 1 1 51 51 LYS HD2 H 1 1.705 0.030 . 2 . . . . 51 LYS HD2 . 10043 1 591 . 1 1 51 51 LYS HE2 H 1 2.971 0.030 . 2 . . . . 51 LYS HE2 . 10043 1 592 . 1 1 51 51 LYS C C 13 179.853 0.300 . 1 . . . . 51 LYS C . 10043 1 593 . 1 1 51 51 LYS CA C 13 59.805 0.300 . 1 . . . . 51 LYS CA . 10043 1 594 . 1 1 51 51 LYS CB C 13 32.155 0.300 . 1 . . . . 51 LYS CB . 10043 1 595 . 1 1 51 51 LYS CG C 13 25.297 0.300 . 1 . . . . 51 LYS CG . 10043 1 596 . 1 1 51 51 LYS CD C 13 28.996 0.300 . 1 . . . . 51 LYS CD . 10043 1 597 . 1 1 51 51 LYS CE C 13 42.067 0.300 . 1 . . . . 51 LYS CE . 10043 1 598 . 1 1 51 51 LYS N N 15 121.833 0.300 . 1 . . . . 51 LYS N . 10043 1 599 . 1 1 52 52 LEU H H 1 7.443 0.030 . 1 . . . . 52 LEU H . 10043 1 600 . 1 1 52 52 LEU HA H 1 4.152 0.030 . 1 . . . . 52 LEU HA . 10043 1 601 . 1 1 52 52 LEU HB2 H 1 1.964 0.030 . 2 . . . . 52 LEU HB2 . 10043 1 602 . 1 1 52 52 LEU HB3 H 1 1.512 0.030 . 2 . . . . 52 LEU HB3 . 10043 1 603 . 1 1 52 52 LEU HG H 1 1.705 0.030 . 1 . . . . 52 LEU HG . 10043 1 604 . 1 1 52 52 LEU HD11 H 1 1.023 0.030 . 1 . . . . 52 LEU HD1 . 10043 1 605 . 1 1 52 52 LEU HD12 H 1 1.023 0.030 . 1 . . . . 52 LEU HD1 . 10043 1 606 . 1 1 52 52 LEU HD13 H 1 1.023 0.030 . 1 . . . . 52 LEU HD1 . 10043 1 607 . 1 1 52 52 LEU HD21 H 1 0.882 0.030 . 1 . . . . 52 LEU HD2 . 10043 1 608 . 1 1 52 52 LEU HD22 H 1 0.882 0.030 . 1 . . . . 52 LEU HD2 . 10043 1 609 . 1 1 52 52 LEU HD23 H 1 0.882 0.030 . 1 . . . . 52 LEU HD2 . 10043 1 610 . 1 1 52 52 LEU C C 13 179.550 0.300 . 1 . . . . 52 LEU C . 10043 1 611 . 1 1 52 52 LEU CA C 13 57.042 0.300 . 1 . . . . 52 LEU CA . 10043 1 612 . 1 1 52 52 LEU CB C 13 41.421 0.300 . 1 . . . . 52 LEU CB . 10043 1 613 . 1 1 52 52 LEU CG C 13 27.472 0.300 . 1 . . . . 52 LEU CG . 10043 1 614 . 1 1 52 52 LEU CD1 C 13 25.395 0.300 . 2 . . . . 52 LEU CD1 . 10043 1 615 . 1 1 52 52 LEU CD2 C 13 22.950 0.300 . 2 . . . . 52 LEU CD2 . 10043 1 616 . 1 1 52 52 LEU N N 15 118.919 0.300 . 1 . . . . 52 LEU N . 10043 1 617 . 1 1 53 53 VAL H H 1 7.723 0.030 . 1 . . . . 53 VAL H . 10043 1 618 . 1 1 53 53 VAL HA H 1 3.402 0.030 . 1 . . . . 53 VAL HA . 10043 1 619 . 1 1 53 53 VAL HB H 1 2.163 0.030 . 1 . . . . 53 VAL HB . 10043 1 620 . 1 1 53 53 VAL HG11 H 1 1.058 0.030 . 1 . . . . 53 VAL HG1 . 10043 1 621 . 1 1 53 53 VAL HG12 H 1 1.058 0.030 . 1 . . . . 53 VAL HG1 . 10043 1 622 . 1 1 53 53 VAL HG13 H 1 1.058 0.030 . 1 . . . . 53 VAL HG1 . 10043 1 623 . 1 1 53 53 VAL HG21 H 1 0.903 0.030 . 1 . . . . 53 VAL HG2 . 10043 1 624 . 1 1 53 53 VAL HG22 H 1 0.903 0.030 . 1 . . . . 53 VAL HG2 . 10043 1 625 . 1 1 53 53 VAL HG23 H 1 0.903 0.030 . 1 . . . . 53 VAL HG2 . 10043 1 626 . 1 1 53 53 VAL C C 13 177.055 0.300 . 1 . . . . 53 VAL C . 10043 1 627 . 1 1 53 53 VAL CA C 13 67.597 0.300 . 1 . . . . 53 VAL CA . 10043 1 628 . 1 1 53 53 VAL CB C 13 31.914 0.300 . 1 . . . . 53 VAL CB . 10043 1 629 . 1 1 53 53 VAL CG1 C 13 22.438 0.300 . 2 . . . . 53 VAL CG1 . 10043 1 630 . 1 1 53 53 VAL CG2 C 13 24.230 0.300 . 2 . . . . 53 VAL CG2 . 10043 1 631 . 1 1 53 53 VAL N N 15 120.831 0.300 . 1 . . . . 53 VAL N . 10043 1 632 . 1 1 54 54 LYS H H 1 8.300 0.030 . 1 . . . . 54 LYS H . 10043 1 633 . 1 1 54 54 LYS HA H 1 3.929 0.030 . 1 . . . . 54 LYS HA . 10043 1 634 . 1 1 54 54 LYS HB2 H 1 1.874 0.030 . 1 . . . . 54 LYS HB2 . 10043 1 635 . 1 1 54 54 LYS HB3 H 1 1.874 0.030 . 1 . . . . 54 LYS HB3 . 10043 1 636 . 1 1 54 54 LYS HG2 H 1 1.388 0.030 . 1 . . . . 54 LYS HG2 . 10043 1 637 . 1 1 54 54 LYS HG3 H 1 1.388 0.030 . 1 . . . . 54 LYS HG3 . 10043 1 638 . 1 1 54 54 LYS HD2 H 1 1.656 0.030 . 1 . . . . 54 LYS HD2 . 10043 1 639 . 1 1 54 54 LYS HD3 H 1 1.656 0.030 . 1 . . . . 54 LYS HD3 . 10043 1 640 . 1 1 54 54 LYS HE2 H 1 2.972 0.030 . 1 . . . . 54 LYS HE2 . 10043 1 641 . 1 1 54 54 LYS HE3 H 1 2.972 0.030 . 1 . . . . 54 LYS HE3 . 10043 1 642 . 1 1 54 54 LYS C C 13 178.932 0.300 . 1 . . . . 54 LYS C . 10043 1 643 . 1 1 54 54 LYS CA C 13 59.994 0.300 . 1 . . . . 54 LYS CA . 10043 1 644 . 1 1 54 54 LYS CB C 13 32.361 0.300 . 1 . . . . 54 LYS CB . 10043 1 645 . 1 1 54 54 LYS CG C 13 25.461 0.300 . 1 . . . . 54 LYS CG . 10043 1 646 . 1 1 54 54 LYS CD C 13 29.571 0.300 . 1 . . . . 54 LYS CD . 10043 1 647 . 1 1 54 54 LYS CE C 13 42.149 0.300 . 1 . . . . 54 LYS CE . 10043 1 648 . 1 1 54 54 LYS N N 15 118.587 0.300 . 1 . . . . 54 LYS N . 10043 1 649 . 1 1 55 55 GLN H H 1 7.513 0.030 . 1 . . . . 55 GLN H . 10043 1 650 . 1 1 55 55 GLN HA H 1 3.993 0.030 . 1 . . . . 55 GLN HA . 10043 1 651 . 1 1 55 55 GLN HB2 H 1 2.173 0.030 . 1 . . . . 55 GLN HB2 . 10043 1 652 . 1 1 55 55 GLN HB3 H 1 2.173 0.030 . 1 . . . . 55 GLN HB3 . 10043 1 653 . 1 1 55 55 GLN HG2 H 1 2.423 0.030 . 2 . . . . 55 GLN HG2 . 10043 1 654 . 1 1 55 55 GLN HG3 H 1 2.357 0.030 . 2 . . . . 55 GLN HG3 . 10043 1 655 . 1 1 55 55 GLN HE21 H 1 7.621 0.030 . 2 . . . . 55 GLN HE21 . 10043 1 656 . 1 1 55 55 GLN HE22 H 1 6.914 0.030 . 2 . . . . 55 GLN HE22 . 10043 1 657 . 1 1 55 55 GLN C C 13 177.188 0.300 . 1 . . . . 55 GLN C . 10043 1 658 . 1 1 55 55 GLN CA C 13 58.485 0.300 . 1 . . . . 55 GLN CA . 10043 1 659 . 1 1 55 55 GLN CB C 13 29.032 0.300 . 1 . . . . 55 GLN CB . 10043 1 660 . 1 1 55 55 GLN CG C 13 34.422 0.300 . 1 . . . . 55 GLN CG . 10043 1 661 . 1 1 55 55 GLN N N 15 118.112 0.300 . 1 . . . . 55 GLN N . 10043 1 662 . 1 1 55 55 GLN NE2 N 15 113.332 0.300 . 1 . . . . 55 GLN NE2 . 10043 1 663 . 1 1 56 56 LEU H H 1 8.093 0.030 . 1 . . . . 56 LEU H . 10043 1 664 . 1 1 56 56 LEU HA H 1 4.002 0.030 . 1 . . . . 56 LEU HA . 10043 1 665 . 1 1 56 56 LEU HB2 H 1 1.886 0.030 . 2 . . . . 56 LEU HB2 . 10043 1 666 . 1 1 56 56 LEU HB3 H 1 1.819 0.030 . 2 . . . . 56 LEU HB3 . 10043 1 667 . 1 1 56 56 LEU HG H 1 1.613 0.030 . 1 . . . . 56 LEU HG . 10043 1 668 . 1 1 56 56 LEU HD11 H 1 0.749 0.030 . 1 . . . . 56 LEU HD1 . 10043 1 669 . 1 1 56 56 LEU HD12 H 1 0.749 0.030 . 1 . . . . 56 LEU HD1 . 10043 1 670 . 1 1 56 56 LEU HD13 H 1 0.749 0.030 . 1 . . . . 56 LEU HD1 . 10043 1 671 . 1 1 56 56 LEU HD21 H 1 0.682 0.030 . 1 . . . . 56 LEU HD2 . 10043 1 672 . 1 1 56 56 LEU HD22 H 1 0.682 0.030 . 1 . . . . 56 LEU HD2 . 10043 1 673 . 1 1 56 56 LEU HD23 H 1 0.682 0.030 . 1 . . . . 56 LEU HD2 . 10043 1 674 . 1 1 56 56 LEU C C 13 178.278 0.300 . 1 . . . . 56 LEU C . 10043 1 675 . 1 1 56 56 LEU CA C 13 59.755 0.300 . 1 . . . . 56 LEU CA . 10043 1 676 . 1 1 56 56 LEU CB C 13 40.786 0.300 . 1 . . . . 56 LEU CB . 10043 1 677 . 1 1 56 56 LEU CD1 C 13 27.408 0.300 . 2 . . . . 56 LEU CD1 . 10043 1 678 . 1 1 56 56 LEU CD2 C 13 24.743 0.300 . 2 . . . . 56 LEU CD2 . 10043 1 679 . 1 1 56 56 LEU N N 15 121.520 0.300 . 1 . . . . 56 LEU N . 10043 1 680 . 1 1 57 57 ARG H H 1 8.023 0.030 . 1 . . . . 57 ARG H . 10043 1 681 . 1 1 57 57 ARG HA H 1 3.614 0.030 . 1 . . . . 57 ARG HA . 10043 1 682 . 1 1 57 57 ARG HB2 H 1 1.993 0.030 . 2 . . . . 57 ARG HB2 . 10043 1 683 . 1 1 57 57 ARG HB3 H 1 1.933 0.030 . 2 . . . . 57 ARG HB3 . 10043 1 684 . 1 1 57 57 ARG HG2 H 1 1.603 0.030 . 2 . . . . 57 ARG HG2 . 10043 1 685 . 1 1 57 57 ARG HG3 H 1 1.564 0.030 . 2 . . . . 57 ARG HG3 . 10043 1 686 . 1 1 57 57 ARG HD2 H 1 3.236 0.030 . 1 . . . . 57 ARG HD2 . 10043 1 687 . 1 1 57 57 ARG HD3 H 1 3.236 0.030 . 1 . . . . 57 ARG HD3 . 10043 1 688 . 1 1 57 57 ARG C C 13 177.854 0.300 . 1 . . . . 57 ARG C . 10043 1 689 . 1 1 57 57 ARG CA C 13 60.303 0.300 . 1 . . . . 57 ARG CA . 10043 1 690 . 1 1 57 57 ARG CB C 13 30.142 0.300 . 1 . . . . 57 ARG CB . 10043 1 691 . 1 1 57 57 ARG CG C 13 27.845 0.300 . 1 . . . . 57 ARG CG . 10043 1 692 . 1 1 57 57 ARG CD C 13 43.547 0.300 . 1 . . . . 57 ARG CD . 10043 1 693 . 1 1 57 57 ARG N N 15 118.736 0.300 . 1 . . . . 57 ARG N . 10043 1 694 . 1 1 58 58 GLU H H 1 7.869 0.030 . 1 . . . . 58 GLU H . 10043 1 695 . 1 1 58 58 GLU HA H 1 3.983 0.030 . 1 . . . . 58 GLU HA . 10043 1 696 . 1 1 58 58 GLU HB2 H 1 2.063 0.030 . 1 . . . . 58 GLU HB2 . 10043 1 697 . 1 1 58 58 GLU HB3 H 1 2.063 0.030 . 1 . . . . 58 GLU HB3 . 10043 1 698 . 1 1 58 58 GLU HG2 H 1 2.424 0.030 . 2 . . . . 58 GLU HG2 . 10043 1 699 . 1 1 58 58 GLU HG3 H 1 2.353 0.030 . 2 . . . . 58 GLU HG3 . 10043 1 700 . 1 1 58 58 GLU C C 13 179.477 0.300 . 1 . . . . 58 GLU C . 10043 1 701 . 1 1 58 58 GLU CA C 13 58.857 0.300 . 1 . . . . 58 GLU CA . 10043 1 702 . 1 1 58 58 GLU CB C 13 29.197 0.300 . 1 . . . . 58 GLU CB . 10043 1 703 . 1 1 58 58 GLU CG C 13 36.148 0.300 . 1 . . . . 58 GLU CG . 10043 1 704 . 1 1 58 58 GLU N N 15 116.916 0.300 . 1 . . . . 58 GLU N . 10043 1 705 . 1 1 59 59 ASN H H 1 8.842 0.030 . 1 . . . . 59 ASN H . 10043 1 706 . 1 1 59 59 ASN HA H 1 4.407 0.030 . 1 . . . . 59 ASN HA . 10043 1 707 . 1 1 59 59 ASN HB2 H 1 2.963 0.030 . 2 . . . . 59 ASN HB2 . 10043 1 708 . 1 1 59 59 ASN HB3 H 1 2.731 0.030 . 2 . . . . 59 ASN HB3 . 10043 1 709 . 1 1 59 59 ASN HD21 H 1 8.071 0.030 . 2 . . . . 59 ASN HD21 . 10043 1 710 . 1 1 59 59 ASN HD22 H 1 6.872 0.030 . 2 . . . . 59 ASN HD22 . 10043 1 711 . 1 1 59 59 ASN C C 13 179.259 0.300 . 1 . . . . 59 ASN C . 10043 1 712 . 1 1 59 59 ASN CA C 13 55.205 0.300 . 1 . . . . 59 ASN CA . 10043 1 713 . 1 1 59 59 ASN CB C 13 36.627 0.300 . 1 . . . . 59 ASN CB . 10043 1 714 . 1 1 59 59 ASN N N 15 119.989 0.300 . 1 . . . . 59 ASN N . 10043 1 715 . 1 1 59 59 ASN ND2 N 15 110.448 0.300 . 1 . . . . 59 ASN ND2 . 10043 1 716 . 1 1 60 60 VAL H H 1 8.563 0.030 . 1 . . . . 60 VAL H . 10043 1 717 . 1 1 60 60 VAL HA H 1 3.577 0.030 . 1 . . . . 60 VAL HA . 10043 1 718 . 1 1 60 60 VAL HB H 1 2.106 0.030 . 1 . . . . 60 VAL HB . 10043 1 719 . 1 1 60 60 VAL HG11 H 1 0.843 0.030 . 1 . . . . 60 VAL HG1 . 10043 1 720 . 1 1 60 60 VAL HG12 H 1 0.843 0.030 . 1 . . . . 60 VAL HG1 . 10043 1 721 . 1 1 60 60 VAL HG13 H 1 0.843 0.030 . 1 . . . . 60 VAL HG1 . 10043 1 722 . 1 1 60 60 VAL HG21 H 1 0.973 0.030 . 1 . . . . 60 VAL HG2 . 10043 1 723 . 1 1 60 60 VAL HG22 H 1 0.973 0.030 . 1 . . . . 60 VAL HG2 . 10043 1 724 . 1 1 60 60 VAL HG23 H 1 0.973 0.030 . 1 . . . . 60 VAL HG2 . 10043 1 725 . 1 1 60 60 VAL C C 13 177.067 0.300 . 1 . . . . 60 VAL C . 10043 1 726 . 1 1 60 60 VAL CA C 13 67.215 0.300 . 1 . . . . 60 VAL CA . 10043 1 727 . 1 1 60 60 VAL CB C 13 31.402 0.300 . 1 . . . . 60 VAL CB . 10043 1 728 . 1 1 60 60 VAL CG1 C 13 22.419 0.300 . 2 . . . . 60 VAL CG1 . 10043 1 729 . 1 1 60 60 VAL CG2 C 13 23.706 0.300 . 2 . . . . 60 VAL CG2 . 10043 1 730 . 1 1 60 60 VAL N N 15 121.096 0.300 . 1 . . . . 60 VAL N . 10043 1 731 . 1 1 61 61 LYS H H 1 7.912 0.030 . 1 . . . . 61 LYS H . 10043 1 732 . 1 1 61 61 LYS HA H 1 3.853 0.030 . 1 . . . . 61 LYS HA . 10043 1 733 . 1 1 61 61 LYS HB2 H 1 1.963 0.030 . 2 . . . . 61 LYS HB2 . 10043 1 734 . 1 1 61 61 LYS HB3 H 1 1.843 0.030 . 2 . . . . 61 LYS HB3 . 10043 1 735 . 1 1 61 61 LYS HG2 H 1 1.388 0.030 . 2 . . . . 61 LYS HG2 . 10043 1 736 . 1 1 61 61 LYS HG3 H 1 1.623 0.030 . 2 . . . . 61 LYS HG3 . 10043 1 737 . 1 1 61 61 LYS HD2 H 1 1.603 0.030 . 2 . . . . 61 LYS HD2 . 10043 1 738 . 1 1 61 61 LYS HD3 H 1 1.684 0.030 . 2 . . . . 61 LYS HD3 . 10043 1 739 . 1 1 61 61 LYS HE2 H 1 2.977 0.030 . 1 . . . . 61 LYS HE2 . 10043 1 740 . 1 1 61 61 LYS HE3 H 1 2.977 0.030 . 1 . . . . 61 LYS HE3 . 10043 1 741 . 1 1 61 61 LYS C C 13 178.908 0.300 . 1 . . . . 61 LYS C . 10043 1 742 . 1 1 61 61 LYS CA C 13 60.019 0.300 . 1 . . . . 61 LYS CA . 10043 1 743 . 1 1 61 61 LYS CB C 13 31.481 0.300 . 1 . . . . 61 LYS CB . 10043 1 744 . 1 1 61 61 LYS CG C 13 25.214 0.300 . 1 . . . . 61 LYS CG . 10043 1 745 . 1 1 61 61 LYS CD C 13 28.667 0.300 . 1 . . . . 61 LYS CD . 10043 1 746 . 1 1 61 61 LYS CE C 13 41.491 0.300 . 1 . . . . 61 LYS CE . 10043 1 747 . 1 1 61 61 LYS N N 15 117.103 0.300 . 1 . . . . 61 LYS N . 10043 1 748 . 1 1 62 62 SER H H 1 8.087 0.030 . 1 . . . . 62 SER H . 10043 1 749 . 1 1 62 62 SER HA H 1 4.303 0.030 . 1 . . . . 62 SER HA . 10043 1 750 . 1 1 62 62 SER HB2 H 1 4.007 0.030 . 2 . . . . 62 SER HB2 . 10043 1 751 . 1 1 62 62 SER HB3 H 1 3.954 0.030 . 2 . . . . 62 SER HB3 . 10043 1 752 . 1 1 62 62 SER C C 13 175.177 0.300 . 1 . . . . 62 SER C . 10043 1 753 . 1 1 62 62 SER CA C 13 60.694 0.300 . 1 . . . . 62 SER CA . 10043 1 754 . 1 1 62 62 SER CB C 13 63.424 0.300 . 1 . . . . 62 SER CB . 10043 1 755 . 1 1 62 62 SER N N 15 111.541 0.300 . 1 . . . . 62 SER N . 10043 1 756 . 1 1 63 63 ALA H H 1 7.533 0.030 . 1 . . . . 63 ALA H . 10043 1 757 . 1 1 63 63 ALA HA H 1 4.283 0.030 . 1 . . . . 63 ALA HA . 10043 1 758 . 1 1 63 63 ALA HB1 H 1 1.543 0.030 . 1 . . . . 63 ALA HB . 10043 1 759 . 1 1 63 63 ALA HB2 H 1 1.543 0.030 . 1 . . . . 63 ALA HB . 10043 1 760 . 1 1 63 63 ALA HB3 H 1 1.543 0.030 . 1 . . . . 63 ALA HB . 10043 1 761 . 1 1 63 63 ALA C C 13 178.036 0.300 . 1 . . . . 63 ALA C . 10043 1 762 . 1 1 63 63 ALA CA C 13 53.512 0.300 . 1 . . . . 63 ALA CA . 10043 1 763 . 1 1 63 63 ALA CB C 13 19.538 0.300 . 1 . . . . 63 ALA CB . 10043 1 764 . 1 1 63 63 ALA N N 15 122.467 0.300 . 1 . . . . 63 ALA N . 10043 1 765 . 1 1 64 64 ILE H H 1 7.402 0.030 . 1 . . . . 64 ILE H . 10043 1 766 . 1 1 64 64 ILE HA H 1 4.092 0.030 . 1 . . . . 64 ILE HA . 10043 1 767 . 1 1 64 64 ILE HB H 1 1.928 0.030 . 1 . . . . 64 ILE HB . 10043 1 768 . 1 1 64 64 ILE HG12 H 1 1.370 0.030 . 2 . . . . 64 ILE HG12 . 10043 1 769 . 1 1 64 64 ILE HG13 H 1 1.446 0.030 . 2 . . . . 64 ILE HG13 . 10043 1 770 . 1 1 64 64 ILE HG21 H 1 0.797 0.030 . 1 . . . . 64 ILE HG2 . 10043 1 771 . 1 1 64 64 ILE HG22 H 1 0.797 0.030 . 1 . . . . 64 ILE HG2 . 10043 1 772 . 1 1 64 64 ILE HG23 H 1 0.797 0.030 . 1 . . . . 64 ILE HG2 . 10043 1 773 . 1 1 64 64 ILE HD11 H 1 0.736 0.030 . 1 . . . . 64 ILE HD1 . 10043 1 774 . 1 1 64 64 ILE HD12 H 1 0.736 0.030 . 1 . . . . 64 ILE HD1 . 10043 1 775 . 1 1 64 64 ILE HD13 H 1 0.736 0.030 . 1 . . . . 64 ILE HD1 . 10043 1 776 . 1 1 64 64 ILE C C 13 174.511 0.300 . 1 . . . . 64 ILE C . 10043 1 777 . 1 1 64 64 ILE CA C 13 60.276 0.300 . 1 . . . . 64 ILE CA . 10043 1 778 . 1 1 64 64 ILE CB C 13 38.567 0.300 . 1 . . . . 64 ILE CB . 10043 1 779 . 1 1 64 64 ILE CG1 C 13 26.969 0.300 . 1 . . . . 64 ILE CG1 . 10043 1 780 . 1 1 64 64 ILE CG2 C 13 17.704 0.300 . 1 . . . . 64 ILE CG2 . 10043 1 781 . 1 1 64 64 ILE CD1 C 13 13.494 0.300 . 1 . . . . 64 ILE CD1 . 10043 1 782 . 1 1 64 64 ILE N N 15 116.722 0.300 . 1 . . . . 64 ILE N . 10043 1 783 . 1 1 65 65 ASP H H 1 8.221 0.030 . 1 . . . . 65 ASP H . 10043 1 784 . 1 1 65 65 ASP HA H 1 4.754 0.030 . 1 . . . . 65 ASP HA . 10043 1 785 . 1 1 65 65 ASP HB2 H 1 2.863 0.030 . 2 . . . . 65 ASP HB2 . 10043 1 786 . 1 1 65 65 ASP HB3 H 1 2.593 0.030 . 2 . . . . 65 ASP HB3 . 10043 1 787 . 1 1 65 65 ASP C C 13 177.273 0.300 . 1 . . . . 65 ASP C . 10043 1 788 . 1 1 65 65 ASP CA C 13 53.494 0.300 . 1 . . . . 65 ASP CA . 10043 1 789 . 1 1 65 65 ASP CB C 13 40.951 0.300 . 1 . . . . 65 ASP CB . 10043 1 790 . 1 1 65 65 ASP N N 15 124.650 0.300 . 1 . . . . 65 ASP N . 10043 1 791 . 1 1 66 66 LEU H H 1 8.631 0.030 . 1 . . . . 66 LEU H . 10043 1 792 . 1 1 66 66 LEU HA H 1 4.093 0.030 . 1 . . . . 66 LEU HA . 10043 1 793 . 1 1 66 66 LEU HB2 H 1 1.821 0.030 . 2 . . . . 66 LEU HB2 . 10043 1 794 . 1 1 66 66 LEU HB3 H 1 1.606 0.030 . 2 . . . . 66 LEU HB3 . 10043 1 795 . 1 1 66 66 LEU HG H 1 1.723 0.030 . 1 . . . . 66 LEU HG . 10043 1 796 . 1 1 66 66 LEU HD11 H 1 0.853 0.030 . 1 . . . . 66 LEU HD1 . 10043 1 797 . 1 1 66 66 LEU HD12 H 1 0.853 0.030 . 1 . . . . 66 LEU HD1 . 10043 1 798 . 1 1 66 66 LEU HD13 H 1 0.853 0.030 . 1 . . . . 66 LEU HD1 . 10043 1 799 . 1 1 66 66 LEU HD21 H 1 0.778 0.030 . 1 . . . . 66 LEU HD2 . 10043 1 800 . 1 1 66 66 LEU HD22 H 1 0.778 0.030 . 1 . . . . 66 LEU HD2 . 10043 1 801 . 1 1 66 66 LEU HD23 H 1 0.778 0.030 . 1 . . . . 66 LEU HD2 . 10043 1 802 . 1 1 66 66 LEU C C 13 178.387 0.300 . 1 . . . . 66 LEU C . 10043 1 803 . 1 1 66 66 LEU CA C 13 56.698 0.300 . 1 . . . . 66 LEU CA . 10043 1 804 . 1 1 66 66 LEU CB C 13 41.902 0.300 . 1 . . . . 66 LEU CB . 10043 1 805 . 1 1 66 66 LEU CG C 13 26.802 0.300 . 1 . . . . 66 LEU CG . 10043 1 806 . 1 1 66 66 LEU CD1 C 13 25.352 0.300 . 2 . . . . 66 LEU CD1 . 10043 1 807 . 1 1 66 66 LEU CD2 C 13 23.241 0.300 . 2 . . . . 66 LEU CD2 . 10043 1 808 . 1 1 66 66 LEU N N 15 123.357 0.300 . 1 . . . . 66 LEU N . 10043 1 809 . 1 1 67 67 GLU H H 1 8.243 0.030 . 1 . . . . 67 GLU H . 10043 1 810 . 1 1 67 67 GLU HA H 1 4.264 0.030 . 1 . . . . 67 GLU HA . 10043 1 811 . 1 1 67 67 GLU HB2 H 1 2.071 0.030 . 2 . . . . 67 GLU HB2 . 10043 1 812 . 1 1 67 67 GLU HB3 H 1 2.163 0.030 . 2 . . . . 67 GLU HB3 . 10043 1 813 . 1 1 67 67 GLU HG2 H 1 2.334 0.030 . 2 . . . . 67 GLU HG2 . 10043 1 814 . 1 1 67 67 GLU HG3 H 1 2.281 0.030 . 2 . . . . 67 GLU HG3 . 10043 1 815 . 1 1 67 67 GLU C C 13 177.600 0.300 . 1 . . . . 67 GLU C . 10043 1 816 . 1 1 67 67 GLU CA C 13 57.341 0.300 . 1 . . . . 67 GLU CA . 10043 1 817 . 1 1 67 67 GLU CB C 13 29.630 0.300 . 1 . . . . 67 GLU CB . 10043 1 818 . 1 1 67 67 GLU CG C 13 36.312 0.300 . 1 . . . . 67 GLU CG . 10043 1 819 . 1 1 67 67 GLU N N 15 118.648 0.300 . 1 . . . . 67 GLU N . 10043 1 820 . 1 1 68 68 GLU H H 1 7.752 0.030 . 1 . . . . 68 GLU H . 10043 1 821 . 1 1 68 68 GLU HA H 1 4.193 0.030 . 1 . . . . 68 GLU HA . 10043 1 822 . 1 1 68 68 GLU HB2 H 1 2.060 0.030 . 1 . . . . 68 GLU HB2 . 10043 1 823 . 1 1 68 68 GLU HB3 H 1 2.060 0.030 . 1 . . . . 68 GLU HB3 . 10043 1 824 . 1 1 68 68 GLU HG2 H 1 2.286 0.030 . 1 . . . . 68 GLU HG2 . 10043 1 825 . 1 1 68 68 GLU HG3 H 1 2.286 0.030 . 1 . . . . 68 GLU HG3 . 10043 1 826 . 1 1 68 68 GLU C C 13 177.309 0.300 . 1 . . . . 68 GLU C . 10043 1 827 . 1 1 68 68 GLU CA C 13 57.254 0.300 . 1 . . . . 68 GLU CA . 10043 1 828 . 1 1 68 68 GLU CB C 13 29.772 0.300 . 1 . . . . 68 GLU CB . 10043 1 829 . 1 1 68 68 GLU CG C 13 35.984 0.300 . 1 . . . . 68 GLU CG . 10043 1 830 . 1 1 68 68 GLU N N 15 120.365 0.300 . 1 . . . . 68 GLU N . 10043 1 831 . 1 1 69 69 MET H H 1 8.258 0.030 . 1 . . . . 69 MET H . 10043 1 832 . 1 1 69 69 MET HA H 1 4.446 0.030 . 1 . . . . 69 MET HA . 10043 1 833 . 1 1 69 69 MET HB2 H 1 2.090 0.030 . 1 . . . . 69 MET HB2 . 10043 1 834 . 1 1 69 69 MET HB3 H 1 2.090 0.030 . 1 . . . . 69 MET HB3 . 10043 1 835 . 1 1 69 69 MET HG2 H 1 2.674 0.030 . 2 . . . . 69 MET HG2 . 10043 1 836 . 1 1 69 69 MET HG3 H 1 2.577 0.030 . 2 . . . . 69 MET HG3 . 10043 1 837 . 1 1 69 69 MET HE1 H 1 2.098 0.030 . 1 . . . . 69 MET HE . 10043 1 838 . 1 1 69 69 MET HE2 H 1 2.098 0.030 . 1 . . . . 69 MET HE . 10043 1 839 . 1 1 69 69 MET HE3 H 1 2.098 0.030 . 1 . . . . 69 MET HE . 10043 1 840 . 1 1 69 69 MET C C 13 176.219 0.300 . 1 . . . . 69 MET C . 10043 1 841 . 1 1 69 69 MET CA C 13 56.085 0.300 . 1 . . . . 69 MET CA . 10043 1 842 . 1 1 69 69 MET CB C 13 32.938 0.300 . 1 . . . . 69 MET CB . 10043 1 843 . 1 1 69 69 MET CG C 13 32.413 0.300 . 1 . . . . 69 MET CG . 10043 1 844 . 1 1 69 69 MET CE C 13 17.495 0.300 . 1 . . . . 69 MET CE . 10043 1 845 . 1 1 69 69 MET N N 15 120.137 0.300 . 1 . . . . 69 MET N . 10043 1 846 . 1 1 70 70 ALA H H 1 8.040 0.030 . 1 . . . . 70 ALA H . 10043 1 847 . 1 1 70 70 ALA HA H 1 4.384 0.030 . 1 . . . . 70 ALA HA . 10043 1 848 . 1 1 70 70 ALA HB1 H 1 1.471 0.030 . 1 . . . . 70 ALA HB . 10043 1 849 . 1 1 70 70 ALA HB2 H 1 1.471 0.030 . 1 . . . . 70 ALA HB . 10043 1 850 . 1 1 70 70 ALA HB3 H 1 1.471 0.030 . 1 . . . . 70 ALA HB . 10043 1 851 . 1 1 70 70 ALA C C 13 177.903 0.300 . 1 . . . . 70 ALA C . 10043 1 852 . 1 1 70 70 ALA CA C 13 52.919 0.300 . 1 . . . . 70 ALA CA . 10043 1 853 . 1 1 70 70 ALA CB C 13 19.662 0.300 . 1 . . . . 70 ALA CB . 10043 1 854 . 1 1 70 70 ALA N N 15 123.997 0.300 . 1 . . . . 70 ALA N . 10043 1 855 . 1 1 71 71 SER H H 1 8.438 0.030 . 1 . . . . 71 SER H . 10043 1 856 . 1 1 71 71 SER HA H 1 4.454 0.030 . 1 . . . . 71 SER HA . 10043 1 857 . 1 1 71 71 SER HB2 H 1 4.043 0.030 . 2 . . . . 71 SER HB2 . 10043 1 858 . 1 1 71 71 SER HB3 H 1 3.975 0.030 . 2 . . . . 71 SER HB3 . 10043 1 859 . 1 1 71 71 SER C C 13 175.408 0.300 . 1 . . . . 71 SER C . 10043 1 860 . 1 1 71 71 SER CA C 13 58.669 0.300 . 1 . . . . 71 SER CA . 10043 1 861 . 1 1 71 71 SER CB C 13 64.225 0.300 . 1 . . . . 71 SER CB . 10043 1 862 . 1 1 71 71 SER N N 15 114.336 0.300 . 1 . . . . 71 SER N . 10043 1 863 . 1 1 72 72 GLY H H 1 8.492 0.030 . 1 . . . . 72 GLY H . 10043 1 864 . 1 1 72 72 GLY HA2 H 1 4.093 0.030 . 2 . . . . 72 GLY HA2 . 10043 1 865 . 1 1 72 72 GLY HA3 H 1 3.940 0.030 . 2 . . . . 72 GLY HA3 . 10043 1 866 . 1 1 72 72 GLY C C 13 175.044 0.300 . 1 . . . . 72 GLY C . 10043 1 867 . 1 1 72 72 GLY CA C 13 46.313 0.300 . 1 . . . . 72 GLY CA . 10043 1 868 . 1 1 72 72 GLY N N 15 110.702 0.300 . 1 . . . . 72 GLY N . 10043 1 869 . 1 1 73 73 LEU H H 1 8.163 0.030 . 1 . . . . 73 LEU H . 10043 1 870 . 1 1 73 73 LEU HA H 1 4.256 0.030 . 1 . . . . 73 LEU HA . 10043 1 871 . 1 1 73 73 LEU HB2 H 1 1.700 0.030 . 2 . . . . 73 LEU HB2 . 10043 1 872 . 1 1 73 73 LEU HB3 H 1 1.590 0.030 . 2 . . . . 73 LEU HB3 . 10043 1 873 . 1 1 73 73 LEU HG H 1 1.635 0.030 . 1 . . . . 73 LEU HG . 10043 1 874 . 1 1 73 73 LEU HD11 H 1 0.914 0.030 . 1 . . . . 73 LEU HD1 . 10043 1 875 . 1 1 73 73 LEU HD12 H 1 0.914 0.030 . 1 . . . . 73 LEU HD1 . 10043 1 876 . 1 1 73 73 LEU HD13 H 1 0.914 0.030 . 1 . . . . 73 LEU HD1 . 10043 1 877 . 1 1 73 73 LEU HD21 H 1 0.963 0.030 . 1 . . . . 73 LEU HD2 . 10043 1 878 . 1 1 73 73 LEU HD22 H 1 0.963 0.030 . 1 . . . . 73 LEU HD2 . 10043 1 879 . 1 1 73 73 LEU HD23 H 1 0.963 0.030 . 1 . . . . 73 LEU HD2 . 10043 1 880 . 1 1 73 73 LEU C C 13 177.939 0.300 . 1 . . . . 73 LEU C . 10043 1 881 . 1 1 73 73 LEU CA C 13 56.540 0.300 . 1 . . . . 73 LEU CA . 10043 1 882 . 1 1 73 73 LEU CB C 13 42.407 0.300 . 1 . . . . 73 LEU CB . 10043 1 883 . 1 1 73 73 LEU CG C 13 27.105 0.300 . 1 . . . . 73 LEU CG . 10043 1 884 . 1 1 73 73 LEU CD1 C 13 23.954 0.300 . 2 . . . . 73 LEU CD1 . 10043 1 885 . 1 1 73 73 LEU CD2 C 13 24.743 0.300 . 2 . . . . 73 LEU CD2 . 10043 1 886 . 1 1 73 73 LEU N N 15 121.924 0.300 . 1 . . . . 73 LEU N . 10043 1 887 . 1 1 74 74 ASN H H 1 8.415 0.030 . 1 . . . . 74 ASN H . 10043 1 888 . 1 1 74 74 ASN HA H 1 4.662 0.030 . 1 . . . . 74 ASN HA . 10043 1 889 . 1 1 74 74 ASN HB2 H 1 2.874 0.030 . 2 . . . . 74 ASN HB2 . 10043 1 890 . 1 1 74 74 ASN HB3 H 1 2.944 0.030 . 2 . . . . 74 ASN HB3 . 10043 1 891 . 1 1 74 74 ASN HD21 H 1 7.773 0.030 . 2 . . . . 74 ASN HD21 . 10043 1 892 . 1 1 74 74 ASN HD22 H 1 7.039 0.030 . 2 . . . . 74 ASN HD22 . 10043 1 893 . 1 1 74 74 ASN C C 13 176.801 0.300 . 1 . . . . 74 ASN C . 10043 1 894 . 1 1 74 74 ASN CA C 13 54.260 0.300 . 1 . . . . 74 ASN CA . 10043 1 895 . 1 1 74 74 ASN CB C 13 38.135 0.300 . 1 . . . . 74 ASN CB . 10043 1 896 . 1 1 74 74 ASN N N 15 118.614 0.300 . 1 . . . . 74 ASN N . 10043 1 897 . 1 1 74 74 ASN ND2 N 15 113.159 0.300 . 1 . . . . 74 ASN ND2 . 10043 1 898 . 1 1 75 75 LYS H H 1 8.351 0.030 . 1 . . . . 75 LYS H . 10043 1 899 . 1 1 75 75 LYS HA H 1 4.074 0.030 . 1 . . . . 75 LYS HA . 10043 1 900 . 1 1 75 75 LYS HB2 H 1 1.813 0.030 . 2 . . . . 75 LYS HB2 . 10043 1 901 . 1 1 75 75 LYS HB3 H 1 1.933 0.030 . 2 . . . . 75 LYS HB3 . 10043 1 902 . 1 1 75 75 LYS HG2 H 1 1.610 0.030 . 2 . . . . 75 LYS HG2 . 10043 1 903 . 1 1 75 75 LYS HG3 H 1 1.473 0.030 . 2 . . . . 75 LYS HG3 . 10043 1 904 . 1 1 75 75 LYS HD2 H 1 1.704 0.030 . 1 . . . . 75 LYS HD2 . 10043 1 905 . 1 1 75 75 LYS HD3 H 1 1.704 0.030 . 1 . . . . 75 LYS HD3 . 10043 1 906 . 1 1 75 75 LYS HE2 H 1 3.070 0.030 . 1 . . . . 75 LYS HE2 . 10043 1 907 . 1 1 75 75 LYS HE3 H 1 3.070 0.030 . 1 . . . . 75 LYS HE3 . 10043 1 908 . 1 1 75 75 LYS C C 13 178.024 0.300 . 1 . . . . 75 LYS C . 10043 1 909 . 1 1 75 75 LYS CA C 13 59.249 0.300 . 1 . . . . 75 LYS CA . 10043 1 910 . 1 1 75 75 LYS CB C 13 32.690 0.300 . 1 . . . . 75 LYS CB . 10043 1 911 . 1 1 75 75 LYS CG C 13 25.461 0.300 . 1 . . . . 75 LYS CG . 10043 1 912 . 1 1 75 75 LYS CD C 13 29.407 0.300 . 1 . . . . 75 LYS CD . 10043 1 913 . 1 1 75 75 LYS CE C 13 42.396 0.300 . 1 . . . . 75 LYS CE . 10043 1 914 . 1 1 75 75 LYS N N 15 122.492 0.300 . 1 . . . . 75 LYS N . 10043 1 915 . 1 1 76 76 ARG H H 1 8.213 0.030 . 1 . . . . 76 ARG H . 10043 1 916 . 1 1 76 76 ARG HA H 1 3.812 0.030 . 1 . . . . 76 ARG HA . 10043 1 917 . 1 1 76 76 ARG HB2 H 1 1.913 0.030 . 1 . . . . 76 ARG HB2 . 10043 1 918 . 1 1 76 76 ARG HB3 H 1 1.913 0.030 . 1 . . . . 76 ARG HB3 . 10043 1 919 . 1 1 76 76 ARG HG2 H 1 1.753 0.030 . 2 . . . . 76 ARG HG2 . 10043 1 920 . 1 1 76 76 ARG HG3 H 1 1.552 0.030 . 2 . . . . 76 ARG HG3 . 10043 1 921 . 1 1 76 76 ARG HD2 H 1 3.244 0.030 . 1 . . . . 76 ARG HD2 . 10043 1 922 . 1 1 76 76 ARG HD3 H 1 3.244 0.030 . 1 . . . . 76 ARG HD3 . 10043 1 923 . 1 1 76 76 ARG C C 13 178.314 0.300 . 1 . . . . 76 ARG C . 10043 1 924 . 1 1 76 76 ARG CA C 13 60.423 0.300 . 1 . . . . 76 ARG CA . 10043 1 925 . 1 1 76 76 ARG CB C 13 29.567 0.300 . 1 . . . . 76 ARG CB . 10043 1 926 . 1 1 76 76 ARG CG C 13 28.092 0.300 . 1 . . . . 76 ARG CG . 10043 1 927 . 1 1 76 76 ARG CD C 13 43.439 0.300 . 1 . . . . 76 ARG CD . 10043 1 928 . 1 1 76 76 ARG N N 15 117.853 0.300 . 1 . . . . 76 ARG N . 10043 1 929 . 1 1 77 77 LYS H H 1 7.873 0.030 . 1 . . . . 77 LYS H . 10043 1 930 . 1 1 77 77 LYS HA H 1 4.033 0.030 . 1 . . . . 77 LYS HA . 10043 1 931 . 1 1 77 77 LYS HB2 H 1 1.873 0.030 . 2 . . . . 77 LYS HB2 . 10043 1 932 . 1 1 77 77 LYS HB3 H 1 1.805 0.030 . 2 . . . . 77 LYS HB3 . 10043 1 933 . 1 1 77 77 LYS HG2 H 1 1.373 0.030 . 2 . . . . 77 LYS HG2 . 10043 1 934 . 1 1 77 77 LYS HG3 H 1 1.523 0.030 . 2 . . . . 77 LYS HG3 . 10043 1 935 . 1 1 77 77 LYS HD2 H 1 1.683 0.030 . 2 . . . . 77 LYS HD2 . 10043 1 936 . 1 1 77 77 LYS HE2 H 1 2.962 0.030 . 2 . . . . 77 LYS HE2 . 10043 1 937 . 1 1 77 77 LYS C C 13 178.726 0.300 . 1 . . . . 77 LYS C . 10043 1 938 . 1 1 77 77 LYS CA C 13 59.104 0.300 . 1 . . . . 77 LYS CA . 10043 1 939 . 1 1 77 77 LYS CB C 13 32.379 0.300 . 1 . . . . 77 LYS CB . 10043 1 940 . 1 1 77 77 LYS CG C 13 25.242 0.300 . 1 . . . . 77 LYS CG . 10043 1 941 . 1 1 77 77 LYS N N 15 118.962 0.300 . 1 . . . . 77 LYS N . 10043 1 942 . 1 1 78 78 MET H H 1 8.043 0.030 . 1 . . . . 78 MET H . 10043 1 943 . 1 1 78 78 MET HA H 1 4.243 0.030 . 1 . . . . 78 MET HA . 10043 1 944 . 1 1 78 78 MET HB2 H 1 2.253 0.030 . 2 . . . . 78 MET HB2 . 10043 1 945 . 1 1 78 78 MET HB3 H 1 2.177 0.030 . 2 . . . . 78 MET HB3 . 10043 1 946 . 1 1 78 78 MET HG2 H 1 2.616 0.030 . 2 . . . . 78 MET HG2 . 10043 1 947 . 1 1 78 78 MET HG3 H 1 2.774 0.030 . 2 . . . . 78 MET HG3 . 10043 1 948 . 1 1 78 78 MET HE1 H 1 2.136 0.030 . 1 . . . . 78 MET HE . 10043 1 949 . 1 1 78 78 MET HE2 H 1 2.136 0.030 . 1 . . . . 78 MET HE . 10043 1 950 . 1 1 78 78 MET HE3 H 1 2.136 0.030 . 1 . . . . 78 MET HE . 10043 1 951 . 1 1 78 78 MET C C 13 179.550 0.300 . 1 . . . . 78 MET C . 10043 1 952 . 1 1 78 78 MET CA C 13 58.741 0.300 . 1 . . . . 78 MET CA . 10043 1 953 . 1 1 78 78 MET CB C 13 32.492 0.300 . 1 . . . . 78 MET CB . 10043 1 954 . 1 1 78 78 MET CG C 13 32.088 0.300 . 1 . . . . 78 MET CG . 10043 1 955 . 1 1 78 78 MET CE C 13 17.337 0.300 . 1 . . . . 78 MET CE . 10043 1 956 . 1 1 78 78 MET N N 15 118.698 0.300 . 1 . . . . 78 MET N . 10043 1 957 . 1 1 79 79 ILE H H 1 8.200 0.030 . 1 . . . . 79 ILE H . 10043 1 958 . 1 1 79 79 ILE HA H 1 3.585 0.030 . 1 . . . . 79 ILE HA . 10043 1 959 . 1 1 79 79 ILE HB H 1 1.861 0.030 . 1 . . . . 79 ILE HB . 10043 1 960 . 1 1 79 79 ILE HG12 H 1 0.908 0.030 . 2 . . . . 79 ILE HG12 . 10043 1 961 . 1 1 79 79 ILE HG13 H 1 1.943 0.030 . 2 . . . . 79 ILE HG13 . 10043 1 962 . 1 1 79 79 ILE HG21 H 1 0.753 0.030 . 1 . . . . 79 ILE HG2 . 10043 1 963 . 1 1 79 79 ILE HG22 H 1 0.753 0.030 . 1 . . . . 79 ILE HG2 . 10043 1 964 . 1 1 79 79 ILE HG23 H 1 0.753 0.030 . 1 . . . . 79 ILE HG2 . 10043 1 965 . 1 1 79 79 ILE HD11 H 1 0.824 0.030 . 1 . . . . 79 ILE HD1 . 10043 1 966 . 1 1 79 79 ILE HD12 H 1 0.824 0.030 . 1 . . . . 79 ILE HD1 . 10043 1 967 . 1 1 79 79 ILE HD13 H 1 0.824 0.030 . 1 . . . . 79 ILE HD1 . 10043 1 968 . 1 1 79 79 ILE C C 13 176.982 0.300 . 1 . . . . 79 ILE C . 10043 1 969 . 1 1 79 79 ILE CA C 13 65.672 0.300 . 1 . . . . 79 ILE CA . 10043 1 970 . 1 1 79 79 ILE CB C 13 37.827 0.300 . 1 . . . . 79 ILE CB . 10043 1 971 . 1 1 79 79 ILE CG1 C 13 29.668 0.300 . 1 . . . . 79 ILE CG1 . 10043 1 972 . 1 1 79 79 ILE CG2 C 13 18.391 0.300 . 1 . . . . 79 ILE CG2 . 10043 1 973 . 1 1 79 79 ILE CD1 C 13 14.856 0.300 . 1 . . . . 79 ILE CD1 . 10043 1 974 . 1 1 79 79 ILE N N 15 120.724 0.300 . 1 . . . . 79 ILE N . 10043 1 975 . 1 1 80 80 GLN H H 1 8.044 0.030 . 1 . . . . 80 GLN H . 10043 1 976 . 1 1 80 80 GLN HA H 1 3.645 0.030 . 1 . . . . 80 GLN HA . 10043 1 977 . 1 1 80 80 GLN HB2 H 1 2.213 0.030 . 2 . . . . 80 GLN HB2 . 10043 1 978 . 1 1 80 80 GLN HB3 H 1 2.113 0.030 . 2 . . . . 80 GLN HB3 . 10043 1 979 . 1 1 80 80 GLN HG2 H 1 2.164 0.030 . 2 . . . . 80 GLN HG2 . 10043 1 980 . 1 1 80 80 GLN HG3 H 1 2.363 0.030 . 2 . . . . 80 GLN HG3 . 10043 1 981 . 1 1 80 80 GLN HE21 H 1 7.133 0.030 . 2 . . . . 80 GLN HE21 . 10043 1 982 . 1 1 80 80 GLN HE22 H 1 6.929 0.030 . 2 . . . . 80 GLN HE22 . 10043 1 983 . 1 1 80 80 GLN C C 13 177.321 0.300 . 1 . . . . 80 GLN C . 10043 1 984 . 1 1 80 80 GLN CA C 13 60.126 0.300 . 1 . . . . 80 GLN CA . 10043 1 985 . 1 1 80 80 GLN CB C 13 28.246 0.300 . 1 . . . . 80 GLN CB . 10043 1 986 . 1 1 80 80 GLN CG C 13 34.475 0.300 . 1 . . . . 80 GLN CG . 10043 1 987 . 1 1 80 80 GLN N N 15 118.249 0.300 . 1 . . . . 80 GLN N . 10043 1 988 . 1 1 80 80 GLN NE2 N 15 110.730 0.300 . 1 . . . . 80 GLN NE2 . 10043 1 989 . 1 1 81 81 HIS H H 1 8.324 0.030 . 1 . . . . 81 HIS H . 10043 1 990 . 1 1 81 81 HIS HA H 1 4.434 0.030 . 1 . . . . 81 HIS HA . 10043 1 991 . 1 1 81 81 HIS HB2 H 1 3.325 0.030 . 2 . . . . 81 HIS HB2 . 10043 1 992 . 1 1 81 81 HIS HB3 H 1 3.282 0.030 . 2 . . . . 81 HIS HB3 . 10043 1 993 . 1 1 81 81 HIS HD2 H 1 7.195 0.030 . 1 . . . . 81 HIS HD2 . 10043 1 994 . 1 1 81 81 HIS HE1 H 1 8.159 0.030 . 1 . . . . 81 HIS HE1 . 10043 1 995 . 1 1 81 81 HIS C C 13 177.188 0.300 . 1 . . . . 81 HIS C . 10043 1 996 . 1 1 81 81 HIS CA C 13 59.345 0.300 . 1 . . . . 81 HIS CA . 10043 1 997 . 1 1 81 81 HIS CB C 13 29.656 0.300 . 1 . . . . 81 HIS CB . 10043 1 998 . 1 1 81 81 HIS CD2 C 13 120.168 0.300 . 1 . . . . 81 HIS CD2 . 10043 1 999 . 1 1 81 81 HIS CE1 C 13 137.577 0.300 . 1 . . . . 81 HIS CE1 . 10043 1 1000 . 1 1 81 81 HIS N N 15 116.127 0.300 . 1 . . . . 81 HIS N . 10043 1 1001 . 1 1 82 82 ALA H H 1 8.043 0.030 . 1 . . . . 82 ALA H . 10043 1 1002 . 1 1 82 82 ALA HA H 1 4.114 0.030 . 1 . . . . 82 ALA HA . 10043 1 1003 . 1 1 82 82 ALA HB1 H 1 1.575 0.030 . 1 . . . . 82 ALA HB . 10043 1 1004 . 1 1 82 82 ALA HB2 H 1 1.575 0.030 . 1 . . . . 82 ALA HB . 10043 1 1005 . 1 1 82 82 ALA HB3 H 1 1.575 0.030 . 1 . . . . 82 ALA HB . 10043 1 1006 . 1 1 82 82 ALA C C 13 179.780 0.300 . 1 . . . . 82 ALA C . 10043 1 1007 . 1 1 82 82 ALA CA C 13 55.296 0.300 . 1 . . . . 82 ALA CA . 10043 1 1008 . 1 1 82 82 ALA CB C 13 18.305 0.300 . 1 . . . . 82 ALA CB . 10043 1 1009 . 1 1 82 82 ALA N N 15 121.286 0.300 . 1 . . . . 82 ALA N . 10043 1 1010 . 1 1 83 83 VAL H H 1 8.163 0.030 . 1 . . . . 83 VAL H . 10043 1 1011 . 1 1 83 83 VAL HA H 1 3.413 0.030 . 1 . . . . 83 VAL HA . 10043 1 1012 . 1 1 83 83 VAL HB H 1 2.031 0.030 . 1 . . . . 83 VAL HB . 10043 1 1013 . 1 1 83 83 VAL HG11 H 1 0.726 0.030 . 1 . . . . 83 VAL HG1 . 10043 1 1014 . 1 1 83 83 VAL HG12 H 1 0.726 0.030 . 1 . . . . 83 VAL HG1 . 10043 1 1015 . 1 1 83 83 VAL HG13 H 1 0.726 0.030 . 1 . . . . 83 VAL HG1 . 10043 1 1016 . 1 1 83 83 VAL HG21 H 1 0.981 0.030 . 1 . . . . 83 VAL HG2 . 10043 1 1017 . 1 1 83 83 VAL HG22 H 1 0.981 0.030 . 1 . . . . 83 VAL HG2 . 10043 1 1018 . 1 1 83 83 VAL HG23 H 1 0.981 0.030 . 1 . . . . 83 VAL HG2 . 10043 1 1019 . 1 1 83 83 VAL C C 13 177.660 0.300 . 1 . . . . 83 VAL C . 10043 1 1020 . 1 1 83 83 VAL CA C 13 66.916 0.300 . 1 . . . . 83 VAL CA . 10043 1 1021 . 1 1 83 83 VAL CB C 13 31.475 0.300 . 1 . . . . 83 VAL CB . 10043 1 1022 . 1 1 83 83 VAL CG1 C 13 21.157 0.300 . 2 . . . . 83 VAL CG1 . 10043 1 1023 . 1 1 83 83 VAL CG2 C 13 23.592 0.300 . 2 . . . . 83 VAL CG2 . 10043 1 1024 . 1 1 83 83 VAL N N 15 116.687 0.300 . 1 . . . . 83 VAL N . 10043 1 1025 . 1 1 84 84 PHE H H 1 8.345 0.030 . 1 . . . . 84 PHE H . 10043 1 1026 . 1 1 84 84 PHE HA H 1 4.226 0.030 . 1 . . . . 84 PHE HA . 10043 1 1027 . 1 1 84 84 PHE HB2 H 1 3.211 0.030 . 2 . . . . 84 PHE HB2 . 10043 1 1028 . 1 1 84 84 PHE HB3 H 1 3.133 0.030 . 2 . . . . 84 PHE HB3 . 10043 1 1029 . 1 1 84 84 PHE HD1 H 1 7.182 0.030 . 1 . . . . 84 PHE HD1 . 10043 1 1030 . 1 1 84 84 PHE HD2 H 1 7.182 0.030 . 1 . . . . 84 PHE HD2 . 10043 1 1031 . 1 1 84 84 PHE HE1 H 1 7.172 0.030 . 1 . . . . 84 PHE HE1 . 10043 1 1032 . 1 1 84 84 PHE HE2 H 1 7.172 0.030 . 1 . . . . 84 PHE HE2 . 10043 1 1033 . 1 1 84 84 PHE HZ H 1 7.174 0.030 . 1 . . . . 84 PHE HZ . 10043 1 1034 . 1 1 84 84 PHE C C 13 178.895 0.300 . 1 . . . . 84 PHE C . 10043 1 1035 . 1 1 84 84 PHE CA C 13 61.771 0.300 . 1 . . . . 84 PHE CA . 10043 1 1036 . 1 1 84 84 PHE CB C 13 38.043 0.300 . 1 . . . . 84 PHE CB . 10043 1 1037 . 1 1 84 84 PHE CD1 C 13 131.077 0.300 . 1 . . . . 84 PHE CD1 . 10043 1 1038 . 1 1 84 84 PHE CD2 C 13 131.077 0.300 . 1 . . . . 84 PHE CD2 . 10043 1 1039 . 1 1 84 84 PHE CE1 C 13 131.077 0.300 . 1 . . . . 84 PHE CE1 . 10043 1 1040 . 1 1 84 84 PHE CE2 C 13 131.077 0.300 . 1 . . . . 84 PHE CE2 . 10043 1 1041 . 1 1 84 84 PHE CZ C 13 129.689 0.300 . 1 . . . . 84 PHE CZ . 10043 1 1042 . 1 1 84 84 PHE N N 15 118.271 0.300 . 1 . . . . 84 PHE N . 10043 1 1043 . 1 1 85 85 LYS H H 1 8.264 0.030 . 1 . . . . 85 LYS H . 10043 1 1044 . 1 1 85 85 LYS HA H 1 3.974 0.030 . 1 . . . . 85 LYS HA . 10043 1 1045 . 1 1 85 85 LYS HB2 H 1 1.872 0.030 . 2 . . . . 85 LYS HB2 . 10043 1 1046 . 1 1 85 85 LYS HB3 H 1 1.731 0.030 . 2 . . . . 85 LYS HB3 . 10043 1 1047 . 1 1 85 85 LYS HG2 H 1 1.363 0.030 . 2 . . . . 85 LYS HG2 . 10043 1 1048 . 1 1 85 85 LYS HG3 H 1 1.483 0.030 . 2 . . . . 85 LYS HG3 . 10043 1 1049 . 1 1 85 85 LYS HD2 H 1 1.583 0.030 . 2 . . . . 85 LYS HD2 . 10043 1 1050 . 1 1 85 85 LYS C C 13 179.501 0.300 . 1 . . . . 85 LYS C . 10043 1 1051 . 1 1 85 85 LYS CA C 13 59.519 0.300 . 1 . . . . 85 LYS CA . 10043 1 1052 . 1 1 85 85 LYS CB C 13 33.197 0.300 . 1 . . . . 85 LYS CB . 10043 1 1053 . 1 1 85 85 LYS CG C 13 24.952 0.300 . 1 . . . . 85 LYS CG . 10043 1 1054 . 1 1 85 85 LYS N N 15 118.556 0.300 . 1 . . . . 85 LYS N . 10043 1 1055 . 1 1 86 86 GLU H H 1 7.592 0.030 . 1 . . . . 86 GLU H . 10043 1 1056 . 1 1 86 86 GLU HA H 1 4.134 0.030 . 1 . . . . 86 GLU HA . 10043 1 1057 . 1 1 86 86 GLU HB2 H 1 1.844 0.030 . 2 . . . . 86 GLU HB2 . 10043 1 1058 . 1 1 86 86 GLU HB3 H 1 2.222 0.030 . 2 . . . . 86 GLU HB3 . 10043 1 1059 . 1 1 86 86 GLU HG2 H 1 2.613 0.030 . 2 . . . . 86 GLU HG2 . 10043 1 1060 . 1 1 86 86 GLU HG3 H 1 2.231 0.030 . 2 . . . . 86 GLU HG3 . 10043 1 1061 . 1 1 86 86 GLU CA C 13 58.010 0.300 . 1 . . . . 86 GLU CA . 10043 1 1062 . 1 1 86 86 GLU CB C 13 29.352 0.300 . 1 . . . . 86 GLU CB . 10043 1 1063 . 1 1 86 86 GLU CG C 13 36.592 0.300 . 1 . . . . 86 GLU CG . 10043 1 1064 . 1 1 86 86 GLU N N 15 116.892 0.300 . 1 . . . . 86 GLU N . 10043 1 1065 . 1 1 87 87 LEU H H 1 8.344 0.030 . 1 . . . . 87 LEU H . 10043 1 1066 . 1 1 87 87 LEU HA H 1 3.943 0.030 . 1 . . . . 87 LEU HA . 10043 1 1067 . 1 1 87 87 LEU HB2 H 1 1.281 0.030 . 2 . . . . 87 LEU HB2 . 10043 1 1068 . 1 1 87 87 LEU HB3 H 1 1.891 0.030 . 2 . . . . 87 LEU HB3 . 10043 1 1069 . 1 1 87 87 LEU HG H 1 1.752 0.030 . 1 . . . . 87 LEU HG . 10043 1 1070 . 1 1 87 87 LEU HD11 H 1 0.585 0.030 . 1 . . . . 87 LEU HD1 . 10043 1 1071 . 1 1 87 87 LEU HD12 H 1 0.585 0.030 . 1 . . . . 87 LEU HD1 . 10043 1 1072 . 1 1 87 87 LEU HD13 H 1 0.585 0.030 . 1 . . . . 87 LEU HD1 . 10043 1 1073 . 1 1 87 87 LEU HD21 H 1 0.615 0.030 . 1 . . . . 87 LEU HD2 . 10043 1 1074 . 1 1 87 87 LEU HD22 H 1 0.615 0.030 . 1 . . . . 87 LEU HD2 . 10043 1 1075 . 1 1 87 87 LEU HD23 H 1 0.615 0.030 . 1 . . . . 87 LEU HD2 . 10043 1 1076 . 1 1 87 87 LEU CA C 13 57.597 0.300 . 1 . . . . 87 LEU CA . 10043 1 1077 . 1 1 87 87 LEU CB C 13 41.459 0.300 . 1 . . . . 87 LEU CB . 10043 1 1078 . 1 1 87 87 LEU CG C 13 26.536 0.300 . 1 . . . . 87 LEU CG . 10043 1 1079 . 1 1 87 87 LEU CD1 C 13 26.692 0.300 . 2 . . . . 87 LEU CD1 . 10043 1 1080 . 1 1 87 87 LEU CD2 C 13 23.771 0.300 . 2 . . . . 87 LEU CD2 . 10043 1 1081 . 1 1 87 87 LEU N N 15 120.974 0.300 . 1 . . . . 87 LEU N . 10043 1 1082 . 1 1 88 88 VAL H H 1 7.697 0.030 . 1 . . . . 88 VAL H . 10043 1 1083 . 1 1 88 88 VAL HA H 1 3.873 0.030 . 1 . . . . 88 VAL HA . 10043 1 1084 . 1 1 88 88 VAL HB H 1 2.155 0.030 . 1 . . . . 88 VAL HB . 10043 1 1085 . 1 1 88 88 VAL HG11 H 1 0.969 0.030 . 1 . . . . 88 VAL HG1 . 10043 1 1086 . 1 1 88 88 VAL HG12 H 1 0.969 0.030 . 1 . . . . 88 VAL HG1 . 10043 1 1087 . 1 1 88 88 VAL HG13 H 1 0.969 0.030 . 1 . . . . 88 VAL HG1 . 10043 1 1088 . 1 1 88 88 VAL CA C 13 65.597 0.300 . 1 . . . . 88 VAL CA . 10043 1 1089 . 1 1 88 88 VAL CB C 13 31.802 0.300 . 1 . . . . 88 VAL CB . 10043 1 1090 . 1 1 88 88 VAL CG1 C 13 21.338 0.300 . 2 . . . . 88 VAL CG1 . 10043 1 1091 . 1 1 88 88 VAL N N 15 117.949 0.300 . 1 . . . . 88 VAL N . 10043 1 1092 . 1 1 89 89 LYS H H 1 7.355 0.030 . 1 . . . . 89 LYS H . 10043 1 1093 . 1 1 89 89 LYS HA H 1 4.104 0.030 . 1 . . . . 89 LYS HA . 10043 1 1094 . 1 1 89 89 LYS HB2 H 1 2.007 0.030 . 2 . . . . 89 LYS HB2 . 10043 1 1095 . 1 1 89 89 LYS HG2 H 1 1.473 0.030 . 2 . . . . 89 LYS HG2 . 10043 1 1096 . 1 1 89 89 LYS HG3 H 1 1.604 0.030 . 2 . . . . 89 LYS HG3 . 10043 1 1097 . 1 1 89 89 LYS HD2 H 1 1.593 0.030 . 2 . . . . 89 LYS HD2 . 10043 1 1098 . 1 1 89 89 LYS HE2 H 1 2.933 0.030 . 1 . . . . 89 LYS HE2 . 10043 1 1099 . 1 1 89 89 LYS HE3 H 1 2.933 0.030 . 1 . . . . 89 LYS HE3 . 10043 1 1100 . 1 1 89 89 LYS CA C 13 58.889 0.300 . 1 . . . . 89 LYS CA . 10043 1 1101 . 1 1 89 89 LYS CB C 13 32.661 0.300 . 1 . . . . 89 LYS CB . 10043 1 1102 . 1 1 89 89 LYS CG C 13 25.492 0.300 . 1 . . . . 89 LYS CG . 10043 1 1103 . 1 1 89 89 LYS N N 15 119.049 0.300 . 1 . . . . 89 LYS N . 10043 1 1104 . 1 1 90 90 VAL H H 1 7.456 0.030 . 1 . . . . 90 VAL H . 10043 1 1105 . 1 1 90 90 VAL HA H 1 4.310 0.030 . 1 . . . . 90 VAL HA . 10043 1 1106 . 1 1 90 90 VAL HB H 1 2.493 0.030 . 1 . . . . 90 VAL HB . 10043 1 1107 . 1 1 90 90 VAL HG11 H 1 1.027 0.030 . 1 . . . . 90 VAL HG1 . 10043 1 1108 . 1 1 90 90 VAL HG12 H 1 1.027 0.030 . 1 . . . . 90 VAL HG1 . 10043 1 1109 . 1 1 90 90 VAL HG13 H 1 1.027 0.030 . 1 . . . . 90 VAL HG1 . 10043 1 1110 . 1 1 90 90 VAL HG21 H 1 0.963 0.030 . 1 . . . . 90 VAL HG2 . 10043 1 1111 . 1 1 90 90 VAL HG22 H 1 0.963 0.030 . 1 . . . . 90 VAL HG2 . 10043 1 1112 . 1 1 90 90 VAL HG23 H 1 0.963 0.030 . 1 . . . . 90 VAL HG2 . 10043 1 1113 . 1 1 90 90 VAL CA C 13 61.523 0.300 . 1 . . . . 90 VAL CA . 10043 1 1114 . 1 1 90 90 VAL CB C 13 30.966 0.300 . 1 . . . . 90 VAL CB . 10043 1 1115 . 1 1 90 90 VAL CG1 C 13 20.505 0.300 . 2 . . . . 90 VAL CG1 . 10043 1 1116 . 1 1 90 90 VAL CG2 C 13 22.694 0.300 . 2 . . . . 90 VAL CG2 . 10043 1 1117 . 1 1 90 90 VAL N N 15 112.495 0.300 . 1 . . . . 90 VAL N . 10043 1 1118 . 1 1 91 91 LYS H H 1 7.917 0.030 . 1 . . . . 91 LYS H . 10043 1 1119 . 1 1 91 91 LYS HA H 1 3.983 0.030 . 1 . . . . 91 LYS HA . 10043 1 1120 . 1 1 91 91 LYS HB2 H 1 2.053 0.030 . 2 . . . . 91 LYS HB2 . 10043 1 1121 . 1 1 91 91 LYS HB3 H 1 1.912 0.030 . 2 . . . . 91 LYS HB3 . 10043 1 1122 . 1 1 91 91 LYS HG2 H 1 1.383 0.030 . 2 . . . . 91 LYS HG2 . 10043 1 1123 . 1 1 91 91 LYS HD2 H 1 1.713 0.030 . 2 . . . . 91 LYS HD2 . 10043 1 1124 . 1 1 91 91 LYS CA C 13 57.872 0.300 . 1 . . . . 91 LYS CA . 10043 1 1125 . 1 1 91 91 LYS N N 15 118.345 0.300 . 1 . . . . 91 LYS N . 10043 1 1126 . 1 1 92 92 VAL H H 1 7.675 0.030 . 1 . . . . 92 VAL H . 10043 1 1127 . 1 1 92 92 VAL HA H 1 4.111 0.030 . 1 . . . . 92 VAL HA . 10043 1 1128 . 1 1 92 92 VAL HB H 1 2.010 0.030 . 1 . . . . 92 VAL HB . 10043 1 1129 . 1 1 92 92 VAL HG11 H 1 1.007 0.030 . 1 . . . . 92 VAL HG1 . 10043 1 1130 . 1 1 92 92 VAL HG12 H 1 1.007 0.030 . 1 . . . . 92 VAL HG1 . 10043 1 1131 . 1 1 92 92 VAL HG13 H 1 1.007 0.030 . 1 . . . . 92 VAL HG1 . 10043 1 1132 . 1 1 92 92 VAL HG21 H 1 0.820 0.030 . 1 . . . . 92 VAL HG2 . 10043 1 1133 . 1 1 92 92 VAL HG22 H 1 0.820 0.030 . 1 . . . . 92 VAL HG2 . 10043 1 1134 . 1 1 92 92 VAL HG23 H 1 0.820 0.030 . 1 . . . . 92 VAL HG2 . 10043 1 1135 . 1 1 92 92 VAL CA C 13 62.372 0.300 . 1 . . . . 92 VAL CA . 10043 1 1136 . 1 1 92 92 VAL CB C 13 32.426 0.300 . 1 . . . . 92 VAL CB . 10043 1 1137 . 1 1 92 92 VAL CG2 C 13 21.159 0.300 . 2 . . . . 92 VAL CG2 . 10043 1 1138 . 1 1 92 92 VAL N N 15 115.169 0.300 . 1 . . . . 92 VAL N . 10043 1 1139 . 1 1 93 93 TYR H H 1 7.712 0.030 . 1 . . . . 93 TYR H . 10043 1 1140 . 1 1 93 93 TYR HA H 1 4.640 0.030 . 1 . . . . 93 TYR HA . 10043 1 1141 . 1 1 93 93 TYR HB2 H 1 2.740 0.030 . 2 . . . . 93 TYR HB2 . 10043 1 1142 . 1 1 93 93 TYR HB3 H 1 2.990 0.030 . 2 . . . . 93 TYR HB3 . 10043 1 1143 . 1 1 93 93 TYR HD1 H 1 7.034 0.030 . 1 . . . . 93 TYR HD1 . 10043 1 1144 . 1 1 93 93 TYR HD2 H 1 7.034 0.030 . 1 . . . . 93 TYR HD2 . 10043 1 1145 . 1 1 93 93 TYR HE1 H 1 6.721 0.030 . 1 . . . . 93 TYR HE1 . 10043 1 1146 . 1 1 93 93 TYR HE2 H 1 6.721 0.030 . 1 . . . . 93 TYR HE2 . 10043 1 1147 . 1 1 93 93 TYR C C 13 174.996 0.300 . 1 . . . . 93 TYR C . 10043 1 1148 . 1 1 93 93 TYR CA C 13 57.271 0.300 . 1 . . . . 93 TYR CA . 10043 1 1149 . 1 1 93 93 TYR CB C 13 39.984 0.300 . 1 . . . . 93 TYR CB . 10043 1 1150 . 1 1 93 93 TYR CD1 C 13 132.981 0.300 . 1 . . . . 93 TYR CD1 . 10043 1 1151 . 1 1 93 93 TYR CD2 C 13 132.981 0.300 . 1 . . . . 93 TYR CD2 . 10043 1 1152 . 1 1 93 93 TYR CE1 C 13 118.153 0.300 . 1 . . . . 93 TYR CE1 . 10043 1 1153 . 1 1 93 93 TYR CE2 C 13 118.153 0.300 . 1 . . . . 93 TYR CE2 . 10043 1 1154 . 1 1 93 93 TYR N N 15 121.400 0.300 . 1 . . . . 93 TYR N . 10043 1 1155 . 1 1 94 94 SER H H 1 8.166 0.030 . 1 . . . . 94 SER H . 10043 1 1156 . 1 1 94 94 SER HA H 1 4.423 0.030 . 1 . . . . 94 SER HA . 10043 1 1157 . 1 1 94 94 SER HB2 H 1 3.773 0.030 . 2 . . . . 94 SER HB2 . 10043 1 1158 . 1 1 94 94 SER HB3 H 1 3.706 0.030 . 2 . . . . 94 SER HB3 . 10043 1 1159 . 1 1 94 94 SER C C 13 173.906 0.300 . 1 . . . . 94 SER C . 10043 1 1160 . 1 1 94 94 SER CA C 13 57.703 0.300 . 1 . . . . 94 SER CA . 10043 1 1161 . 1 1 94 94 SER CB C 13 64.107 0.300 . 1 . . . . 94 SER CB . 10043 1 1162 . 1 1 94 94 SER N N 15 119.011 0.300 . 1 . . . . 94 SER N . 10043 1 1163 . 1 1 95 95 GLY H H 1 7.128 0.030 . 1 . . . . 95 GLY H . 10043 1 1164 . 1 1 95 95 GLY HA2 H 1 3.941 0.030 . 1 . . . . 95 GLY HA2 . 10043 1 1165 . 1 1 95 95 GLY HA3 H 1 3.941 0.030 . 1 . . . . 95 GLY HA3 . 10043 1 1166 . 1 1 95 95 GLY C C 13 171.193 0.300 . 1 . . . . 95 GLY C . 10043 1 1167 . 1 1 95 95 GLY CA C 13 44.634 0.300 . 1 . . . . 95 GLY CA . 10043 1 1168 . 1 1 95 95 GLY N N 15 109.334 0.300 . 1 . . . . 95 GLY N . 10043 1 1169 . 1 1 96 96 PRO HA H 1 4.454 0.030 . 1 . . . . 96 PRO HA . 10043 1 1170 . 1 1 96 96 PRO HB2 H 1 2.263 0.030 . 2 . . . . 96 PRO HB2 . 10043 1 1171 . 1 1 96 96 PRO HB3 H 1 1.962 0.030 . 2 . . . . 96 PRO HB3 . 10043 1 1172 . 1 1 96 96 PRO HG2 H 1 1.981 0.030 . 1 . . . . 96 PRO HG2 . 10043 1 1173 . 1 1 96 96 PRO HG3 H 1 1.981 0.030 . 1 . . . . 96 PRO HG3 . 10043 1 1174 . 1 1 96 96 PRO HD2 H 1 3.561 0.030 . 1 . . . . 96 PRO HD2 . 10043 1 1175 . 1 1 96 96 PRO HD3 H 1 3.561 0.030 . 1 . . . . 96 PRO HD3 . 10043 1 1176 . 1 1 96 96 PRO C C 13 177.370 0.300 . 1 . . . . 96 PRO C . 10043 1 1177 . 1 1 96 96 PRO CA C 13 63.171 0.300 . 1 . . . . 96 PRO CA . 10043 1 1178 . 1 1 96 96 PRO CB C 13 32.097 0.300 . 1 . . . . 96 PRO CB . 10043 1 1179 . 1 1 96 96 PRO CG C 13 27.105 0.300 . 1 . . . . 96 PRO CG . 10043 1 1180 . 1 1 96 96 PRO CD C 13 49.728 0.300 . 1 . . . . 96 PRO CD . 10043 1 1181 . 1 1 97 97 SER H H 1 8.442 0.030 . 1 . . . . 97 SER H . 10043 1 1182 . 1 1 97 97 SER HA H 1 4.382 0.030 . 1 . . . . 97 SER HA . 10043 1 1183 . 1 1 97 97 SER HB2 H 1 3.825 0.030 . 1 . . . . 97 SER HB2 . 10043 1 1184 . 1 1 97 97 SER HB3 H 1 3.825 0.030 . 1 . . . . 97 SER HB3 . 10043 1 1185 . 1 1 97 97 SER C C 13 174.427 0.300 . 1 . . . . 97 SER C . 10043 1 1186 . 1 1 97 97 SER CA C 13 58.297 0.300 . 1 . . . . 97 SER CA . 10043 1 1187 . 1 1 97 97 SER CB C 13 63.801 0.300 . 1 . . . . 97 SER CB . 10043 1 1188 . 1 1 97 97 SER N N 15 116.139 0.300 . 1 . . . . 97 SER N . 10043 1 1189 . 1 1 98 98 SER H H 1 8.100 0.030 . 1 . . . . 98 SER H . 10043 1 1190 . 1 1 98 98 SER C C 13 173.809 0.300 . 1 . . . . 98 SER C . 10043 1 1191 . 1 1 98 98 SER CA C 13 58.233 0.300 . 1 . . . . 98 SER CA . 10043 1 1192 . 1 1 98 98 SER CB C 13 64.107 0.300 . 1 . . . . 98 SER CB . 10043 1 1193 . 1 1 98 98 SER N N 15 117.134 0.300 . 1 . . . . 98 SER N . 10043 1 stop_ save_