data_18880 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18880 _Entry.Title ; SOLUTION STRUCTURE OF THE SMALL DICTYOSTELIUM DISCOIDEIUM MYOSIN LIGHT CHAIN MlcB PROVIDES INSIGHTS INTO IQ-MOTIF RECOGNITION OF CLASS I MYOSIN MYO1B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-12-06 _Entry.Accession_date 2012-12-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Janine Liburd . . . 18880 2 Seth Chitayat . . . 18880 3 Scott Crawley . W. . 18880 4 Christopher Denis . M. . 18880 5 Graham Cote . P. . 18880 6 Steven Smith . P. . 18880 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18880 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Mysoin light chain' . 18880 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18880 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 322 18880 '15N chemical shifts' 85 18880 '1H chemical shifts' 519 18880 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 2 . . 2014-05-05 2012-12-06 update BMRB 'update entry citation' 18880 1 . . 2013-12-09 2012-12-06 original author 'original release' 18880 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18880 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24790102 _Citation.Full_citation . _Citation.Title 'Structure of the Small Dictyostelium discoideum Myosin Light Chain MlcB Provides Insights into MyoB IQ motif Recognition.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _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 2014 _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 Janine Liburd . . . 18880 1 2 Seth Chitayat . . . 18880 1 3 Scott Crawley . W. . 18880 1 4 Kim Munro . . . 18880 1 5 Emily Miller . . . 18880 1 6 Chris Denis . M. . 18880 1 7 Holly Spencer . L. . 18880 1 8 Graham Cote . P. . 18880 1 9 Steven Smith . P. . 18880 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18880 _Assembly.ID 1 _Assembly.Name MlcB _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MlcB 1 $MlcB A . yes native no no . . . 18880 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MlcB _Entity.Sf_category entity _Entity.Sf_framecode MlcB _Entity.Entry_ID 18880 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MlcB _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MSDEKTQLIEAFYNFDGDYD GFVSVEEFRGIIRDGLPMTE AEITEFFEAADPNNTGFIDY KAFAAMLYSVDES ; _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10471.464 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2M1U . "Solution Structure Of The Small Dictyostelium Discoideium Myosin Light Chain Mlcb Provides Insights Into Iq-motif Recognition O" . . . . . 100.00 93 100.00 100.00 2.25e-60 . . . . 18880 1 2 no GB EAL62399 . "myoB light chain [Dictyostelium discoideum AX4]" . . . . . 78.49 73 100.00 100.00 2.48e-44 . . . . 18880 1 3 no GB EGC36044 . "myoB light chain [Dictyostelium purpureum]" . . . . . 78.49 73 97.26 100.00 1.87e-43 . . . . 18880 1 4 no REF XP_003287419 . "myoB light chain [Dictyostelium purpureum]" . . . . . 78.49 73 97.26 100.00 1.87e-43 . . . . 18880 1 5 no REF XP_635900 . "myoB light chain [Dictyostelium discoideum AX4]" . . . . . 78.49 73 100.00 100.00 2.48e-44 . . . . 18880 1 6 no SP Q54GL7 . "RecName: Full=Myosin-IB light chain; AltName: Full=MyoB light chain; AltName: Full=Myosin light chain mlcB; Short=MlcB" . . . . . 78.49 73 100.00 100.00 2.48e-44 . . . . 18880 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 1 MET . 18880 1 2 2 GLY . 18880 1 3 3 SER . 18880 1 4 4 SER . 18880 1 5 5 HIS . 18880 1 6 6 HIS . 18880 1 7 7 HIS . 18880 1 8 8 HIS . 18880 1 9 9 HIS . 18880 1 10 10 HIS . 18880 1 11 11 SER . 18880 1 12 12 SER . 18880 1 13 13 GLY . 18880 1 14 14 LEU . 18880 1 15 15 VAL . 18880 1 16 16 PRO . 18880 1 17 17 ARG . 18880 1 18 18 GLY . 18880 1 19 19 SER . 18880 1 20 20 HIS . 18880 1 21 21 MET . 18880 1 22 22 SER . 18880 1 23 23 ASP . 18880 1 24 24 GLU . 18880 1 25 25 LYS . 18880 1 26 26 THR . 18880 1 27 27 GLN . 18880 1 28 28 LEU . 18880 1 29 29 ILE . 18880 1 30 30 GLU . 18880 1 31 31 ALA . 18880 1 32 32 PHE . 18880 1 33 33 TYR . 18880 1 34 34 ASN . 18880 1 35 35 PHE . 18880 1 36 36 ASP . 18880 1 37 37 GLY . 18880 1 38 38 ASP . 18880 1 39 39 TYR . 18880 1 40 40 ASP . 18880 1 41 41 GLY . 18880 1 42 42 PHE . 18880 1 43 43 VAL . 18880 1 44 44 SER . 18880 1 45 45 VAL . 18880 1 46 46 GLU . 18880 1 47 47 GLU . 18880 1 48 48 PHE . 18880 1 49 49 ARG . 18880 1 50 50 GLY . 18880 1 51 51 ILE . 18880 1 52 52 ILE . 18880 1 53 53 ARG . 18880 1 54 54 ASP . 18880 1 55 55 GLY . 18880 1 56 56 LEU . 18880 1 57 57 PRO . 18880 1 58 58 MET . 18880 1 59 59 THR . 18880 1 60 60 GLU . 18880 1 61 61 ALA . 18880 1 62 62 GLU . 18880 1 63 63 ILE . 18880 1 64 64 THR . 18880 1 65 65 GLU . 18880 1 66 66 PHE . 18880 1 67 67 PHE . 18880 1 68 68 GLU . 18880 1 69 69 ALA . 18880 1 70 70 ALA . 18880 1 71 71 ASP . 18880 1 72 72 PRO . 18880 1 73 73 ASN . 18880 1 74 74 ASN . 18880 1 75 75 THR . 18880 1 76 76 GLY . 18880 1 77 77 PHE . 18880 1 78 78 ILE . 18880 1 79 79 ASP . 18880 1 80 80 TYR . 18880 1 81 81 LYS . 18880 1 82 82 ALA . 18880 1 83 83 PHE . 18880 1 84 84 ALA . 18880 1 85 85 ALA . 18880 1 86 86 MET . 18880 1 87 87 LEU . 18880 1 88 88 TYR . 18880 1 89 89 SER . 18880 1 90 90 VAL . 18880 1 91 91 ASP . 18880 1 92 92 GLU . 18880 1 93 93 SER . 18880 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18880 1 . GLY 2 2 18880 1 . SER 3 3 18880 1 . SER 4 4 18880 1 . HIS 5 5 18880 1 . HIS 6 6 18880 1 . HIS 7 7 18880 1 . HIS 8 8 18880 1 . HIS 9 9 18880 1 . HIS 10 10 18880 1 . SER 11 11 18880 1 . SER 12 12 18880 1 . GLY 13 13 18880 1 . LEU 14 14 18880 1 . VAL 15 15 18880 1 . PRO 16 16 18880 1 . ARG 17 17 18880 1 . GLY 18 18 18880 1 . SER 19 19 18880 1 . HIS 20 20 18880 1 . MET 21 21 18880 1 . SER 22 22 18880 1 . ASP 23 23 18880 1 . GLU 24 24 18880 1 . LYS 25 25 18880 1 . THR 26 26 18880 1 . GLN 27 27 18880 1 . LEU 28 28 18880 1 . ILE 29 29 18880 1 . GLU 30 30 18880 1 . ALA 31 31 18880 1 . PHE 32 32 18880 1 . TYR 33 33 18880 1 . ASN 34 34 18880 1 . PHE 35 35 18880 1 . ASP 36 36 18880 1 . GLY 37 37 18880 1 . ASP 38 38 18880 1 . TYR 39 39 18880 1 . ASP 40 40 18880 1 . GLY 41 41 18880 1 . PHE 42 42 18880 1 . VAL 43 43 18880 1 . SER 44 44 18880 1 . VAL 45 45 18880 1 . GLU 46 46 18880 1 . GLU 47 47 18880 1 . PHE 48 48 18880 1 . ARG 49 49 18880 1 . GLY 50 50 18880 1 . ILE 51 51 18880 1 . ILE 52 52 18880 1 . ARG 53 53 18880 1 . ASP 54 54 18880 1 . GLY 55 55 18880 1 . LEU 56 56 18880 1 . PRO 57 57 18880 1 . MET 58 58 18880 1 . THR 59 59 18880 1 . GLU 60 60 18880 1 . ALA 61 61 18880 1 . GLU 62 62 18880 1 . ILE 63 63 18880 1 . THR 64 64 18880 1 . GLU 65 65 18880 1 . PHE 66 66 18880 1 . PHE 67 67 18880 1 . GLU 68 68 18880 1 . ALA 69 69 18880 1 . ALA 70 70 18880 1 . ASP 71 71 18880 1 . PRO 72 72 18880 1 . ASN 73 73 18880 1 . ASN 74 74 18880 1 . THR 75 75 18880 1 . GLY 76 76 18880 1 . PHE 77 77 18880 1 . ILE 78 78 18880 1 . ASP 79 79 18880 1 . TYR 80 80 18880 1 . LYS 81 81 18880 1 . ALA 82 82 18880 1 . PHE 83 83 18880 1 . ALA 84 84 18880 1 . ALA 85 85 18880 1 . MET 86 86 18880 1 . LEU 87 87 18880 1 . TYR 88 88 18880 1 . SER 89 89 18880 1 . VAL 90 90 18880 1 . ASP 91 91 18880 1 . GLU 92 92 18880 1 . SER 93 93 18880 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 18880 _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 $MlcB . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 18880 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 18880 _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 $MlcB . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 18880 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18880 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MlcB '[U-100% 13C; U-100% 15N]' . . 1 $MlcB . . 1 . . mM . . . . 18880 1 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 18880 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18880 1 4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18880 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18880 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18880 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18880 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MlcB '[U-100% 13C; U-100% 15N]' . . 1 $MlcB . . 1 . . mM . . . . 18880 2 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 18880 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18880 2 4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18880 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18880 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18880 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 18880 1 pH 7.4 . pH 18880 1 pressure 1 . atm 18880 1 temperature 298 . K 18880 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18880 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18880 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18880 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 18880 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18880 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18880 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18880 _Software.ID 3 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18880 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18880 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18880 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18880 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18880 4 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18880 _Software.ID 5 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18880 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18880 5 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18880 _Software.ID 6 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18880 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18880 6 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 18880 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18880 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18880 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18880 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 18880 1 2 spectrometer_2 Varian INOVA . 500 . . . 18880 1 3 spectrometer_3 Varian INOVA . 600 . . . 18880 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18880 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18880 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18880 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18880 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18880 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18880 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18880 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18880 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18880 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18880 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18880 1 11 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18880 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18880 1 13 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18880 1 14 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18880 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18880 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 external direct 1 . . . . . . . . . 18880 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 18880 1 N 15 DSS nitrogen . . . . ppm 0 external direct 1 . . . . . . . . . 18880 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18880 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18880 1 2 '3D CBCA(CO)NH' . . . 18880 1 3 '3D C(CO)NH' . . . 18880 1 4 '3D HNCO' . . . 18880 1 5 '3D HNCACB' . . . 18880 1 6 '3D HCCH-TOCSY' . . . 18880 1 7 '3D 1H-15N NOESY' . . . 18880 1 8 '3D 1H-13C NOESY aliphatic' . . . 18880 1 9 '3D 1H-13C NOESY aromatic' . . . 18880 1 11 '3D H(CCO)NH' . . . 18880 1 12 '3D 1H-13C NOESY aliphatic' . . . 18880 1 13 '2D 1H-1H NOESY' . . . 18880 1 14 '2D 1H-1H TOCSY' . . . 18880 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 10 10 HIS C C 13 176.04 0.30 . 1 . . . A 10 HIS C . 18880 1 2 . 1 1 11 11 SER H H 1 8.36 0.02 . 1 . . . A 11 SER H . 18880 1 3 . 1 1 11 11 SER HA H 1 4.43 0.02 . 1 . . . A 11 SER HA . 18880 1 4 . 1 1 11 11 SER HB2 H 1 3.83 0.02 . 2 . . . A 11 SER HB2 . 18880 1 5 . 1 1 11 11 SER HB3 H 1 3.83 0.02 . 2 . . . A 11 SER HB3 . 18880 1 6 . 1 1 11 11 SER C C 13 174.63 0.30 . 1 . . . A 11 SER C . 18880 1 7 . 1 1 11 11 SER CA C 13 58.35 0.30 . 1 . . . A 11 SER CA . 18880 1 8 . 1 1 11 11 SER CB C 13 64.12 0.30 . 1 . . . A 11 SER CB . 18880 1 9 . 1 1 11 11 SER N N 15 116.84 0.30 . 1 . . . A 11 SER N . 18880 1 10 . 1 1 12 12 SER H H 1 8.49 0.02 . 1 . . . A 12 SER H . 18880 1 11 . 1 1 12 12 SER HA H 1 4.44 0.02 . 1 . . . A 12 SER HA . 18880 1 12 . 1 1 12 12 SER HB2 H 1 3.89 0.02 . 2 . . . A 12 SER HB2 . 18880 1 13 . 1 1 12 12 SER HB3 H 1 3.89 0.02 . 2 . . . A 12 SER HB3 . 18880 1 14 . 1 1 12 12 SER C C 13 174.88 0.30 . 1 . . . A 12 SER C . 18880 1 15 . 1 1 12 12 SER CA C 13 58.68 0.30 . 1 . . . A 12 SER CA . 18880 1 16 . 1 1 12 12 SER CB C 13 63.89 0.30 . 1 . . . A 12 SER CB . 18880 1 17 . 1 1 12 12 SER N N 15 118.03 0.30 . 1 . . . A 12 SER N . 18880 1 18 . 1 1 13 13 GLY H H 1 8.39 0.02 . 1 . . . A 13 GLY H . 18880 1 19 . 1 1 13 13 GLY HA2 H 1 3.93 0.02 . 2 . . . A 13 GLY HA2 . 18880 1 20 . 1 1 13 13 GLY HA3 H 1 3.93 0.02 . 2 . . . A 13 GLY HA3 . 18880 1 21 . 1 1 13 13 GLY C C 13 173.79 0.30 . 1 . . . A 13 GLY C . 18880 1 22 . 1 1 13 13 GLY CA C 13 45.46 0.30 . 1 . . . A 13 GLY CA . 18880 1 23 . 1 1 13 13 GLY N N 15 110.45 0.30 . 1 . . . A 13 GLY N . 18880 1 24 . 1 1 14 14 LEU H H 1 8.02 0.02 . 1 . . . A 14 LEU H . 18880 1 25 . 1 1 14 14 LEU HA H 1 4.34 0.02 . 1 . . . A 14 LEU HA . 18880 1 26 . 1 1 14 14 LEU HB2 H 1 1.49 0.02 . 2 . . . A 14 LEU HB2 . 18880 1 27 . 1 1 14 14 LEU HB3 H 1 1.55 0.02 . 2 . . . A 14 LEU HB3 . 18880 1 28 . 1 1 14 14 LEU HG H 1 1.51 0.02 . 1 . . . A 14 LEU HG . 18880 1 29 . 1 1 14 14 LEU HD11 H 1 0.76 0.02 . 2 . . . A 14 LEU HD11 . 18880 1 30 . 1 1 14 14 LEU HD12 H 1 0.76 0.02 . 2 . . . A 14 LEU HD12 . 18880 1 31 . 1 1 14 14 LEU HD13 H 1 0.76 0.02 . 2 . . . A 14 LEU HD13 . 18880 1 32 . 1 1 14 14 LEU HD21 H 1 0.81 0.02 . 2 . . . A 14 LEU HD21 . 18880 1 33 . 1 1 14 14 LEU HD22 H 1 0.81 0.02 . 2 . . . A 14 LEU HD22 . 18880 1 34 . 1 1 14 14 LEU HD23 H 1 0.81 0.02 . 2 . . . A 14 LEU HD23 . 18880 1 35 . 1 1 14 14 LEU C C 13 176.93 0.30 . 1 . . . A 14 LEU C . 18880 1 36 . 1 1 14 14 LEU CA C 13 55.20 0.30 . 1 . . . A 14 LEU CA . 18880 1 37 . 1 1 14 14 LEU CB C 13 42.60 0.30 . 1 . . . A 14 LEU CB . 18880 1 38 . 1 1 14 14 LEU CG C 13 26.52 0.30 . 1 . . . A 14 LEU CG . 18880 1 39 . 1 1 14 14 LEU CD1 C 13 23.47 0.30 . 1 . . . A 14 LEU CD1 . 18880 1 40 . 1 1 14 14 LEU CD2 C 13 25.50 0.30 . 1 . . . A 14 LEU CD2 . 18880 1 41 . 1 1 14 14 LEU N N 15 121.31 0.30 . 1 . . . A 14 LEU N . 18880 1 42 . 1 1 15 15 VAL H H 1 8.03 0.02 . 1 . . . A 15 VAL H . 18880 1 43 . 1 1 15 15 VAL HA H 1 4.37 0.02 . 1 . . . A 15 VAL HA . 18880 1 44 . 1 1 15 15 VAL HB H 1 2.02 0.02 . 1 . . . A 15 VAL HB . 18880 1 45 . 1 1 15 15 VAL HG11 H 1 0.87 0.02 . 2 . . . A 15 VAL HG11 . 18880 1 46 . 1 1 15 15 VAL HG12 H 1 0.87 0.02 . 2 . . . A 15 VAL HG12 . 18880 1 47 . 1 1 15 15 VAL HG13 H 1 0.87 0.02 . 2 . . . A 15 VAL HG13 . 18880 1 48 . 1 1 15 15 VAL HG21 H 1 0.90 0.02 . 2 . . . A 15 VAL HG21 . 18880 1 49 . 1 1 15 15 VAL HG22 H 1 0.90 0.02 . 2 . . . A 15 VAL HG22 . 18880 1 50 . 1 1 15 15 VAL HG23 H 1 0.90 0.02 . 2 . . . A 15 VAL HG23 . 18880 1 51 . 1 1 15 15 VAL CA C 13 59.72 0.30 . 1 . . . A 15 VAL CA . 18880 1 52 . 1 1 15 15 VAL CB C 13 32.77 0.30 . 1 . . . A 15 VAL CB . 18880 1 53 . 1 1 15 15 VAL CG1 C 13 20.93 0.30 . 1 . . . A 15 VAL CG1 . 18880 1 54 . 1 1 15 15 VAL CG2 C 13 21.43 0.30 . 1 . . . A 15 VAL CG2 . 18880 1 55 . 1 1 15 15 VAL N N 15 121.55 0.30 . 1 . . . A 15 VAL N . 18880 1 56 . 1 1 16 16 PRO HA H 1 4.37 0.02 . 1 . . . A 16 PRO HA . 18880 1 57 . 1 1 16 16 PRO HB2 H 1 1.84 0.02 . 2 . . . A 16 PRO HB2 . 18880 1 58 . 1 1 16 16 PRO HB3 H 1 2.21 0.02 . 2 . . . A 16 PRO HB3 . 18880 1 59 . 1 1 16 16 PRO HG2 H 1 1.84 0.02 . 2 . . . A 16 PRO HG2 . 18880 1 60 . 1 1 16 16 PRO HG3 H 1 1.97 0.02 . 2 . . . A 16 PRO HG3 . 18880 1 61 . 1 1 16 16 PRO HD2 H 1 3.57 0.02 . 2 . . . A 16 PRO HD2 . 18880 1 62 . 1 1 16 16 PRO HD3 H 1 3.79 0.02 . 2 . . . A 16 PRO HD3 . 18880 1 63 . 1 1 16 16 PRO C C 13 176.72 0.30 . 1 . . . A 16 PRO C . 18880 1 64 . 1 1 16 16 PRO CA C 13 62.65 0.30 . 1 . . . A 16 PRO CA . 18880 1 65 . 1 1 16 16 PRO CB C 13 32.24 0.30 . 1 . . . A 16 PRO CB . 18880 1 66 . 1 1 16 16 PRO CG C 13 27.54 0.30 . 1 . . . A 16 PRO CG . 18880 1 67 . 1 1 16 16 PRO CD C 13 50.97 0.30 . 1 . . . A 16 PRO CD . 18880 1 68 . 1 1 17 17 ARG H H 1 8.45 0.02 . 1 . . . A 17 ARG H . 18880 1 69 . 1 1 17 17 ARG HA H 1 4.28 0.02 . 1 . . . A 17 ARG HA . 18880 1 70 . 1 1 17 17 ARG HB2 H 1 1.75 0.02 . 2 . . . A 17 ARG HB2 . 18880 1 71 . 1 1 17 17 ARG HB3 H 1 1.83 0.02 . 2 . . . A 17 ARG HB3 . 18880 1 72 . 1 1 17 17 ARG HG2 H 1 1.62 0.02 . 2 . . . A 17 ARG HG2 . 18880 1 73 . 1 1 17 17 ARG HG3 H 1 1.67 0.02 . 2 . . . A 17 ARG HG3 . 18880 1 74 . 1 1 17 17 ARG HD2 H 1 3.15 0.02 . 2 . . . A 17 ARG HD2 . 18880 1 75 . 1 1 17 17 ARG HD3 H 1 3.15 0.02 . 2 . . . A 17 ARG HD3 . 18880 1 76 . 1 1 17 17 ARG C C 13 176.94 0.30 . 1 . . . A 17 ARG C . 18880 1 77 . 1 1 17 17 ARG CA C 13 56.36 0.30 . 1 . . . A 17 ARG CA . 18880 1 78 . 1 1 17 17 ARG CB C 13 31.05 0.30 . 1 . . . A 17 ARG CB . 18880 1 79 . 1 1 17 17 ARG CG C 13 27.29 0.30 . 1 . . . A 17 ARG CG . 18880 1 80 . 1 1 17 17 ARG CD C 13 43.20 0.30 . 1 . . . A 17 ARG CD . 18880 1 81 . 1 1 17 17 ARG N N 15 121.89 0.30 . 1 . . . A 17 ARG N . 18880 1 82 . 1 1 18 18 GLY H H 1 8.48 0.02 . 1 . . . A 18 GLY H . 18880 1 83 . 1 1 18 18 GLY HA2 H 1 3.96 0.02 . 2 . . . A 18 GLY HA2 . 18880 1 84 . 1 1 18 18 GLY HA3 H 1 3.96 0.02 . 2 . . . A 18 GLY HA3 . 18880 1 85 . 1 1 18 18 GLY C C 13 174.11 0.30 . 1 . . . A 18 GLY C . 18880 1 86 . 1 1 18 18 GLY CA C 13 45.39 0.30 . 1 . . . A 18 GLY CA . 18880 1 87 . 1 1 18 18 GLY N N 15 110.16 0.30 . 1 . . . A 18 GLY N . 18880 1 88 . 1 1 19 19 SER H H 1 8.21 0.02 . 1 . . . A 19 SER H . 18880 1 89 . 1 1 19 19 SER HA H 1 4.40 0.02 . 1 . . . A 19 SER HA . 18880 1 90 . 1 1 19 19 SER HB2 H 1 3.81 0.02 . 2 . . . A 19 SER HB2 . 18880 1 91 . 1 1 19 19 SER HB3 H 1 3.81 0.02 . 2 . . . A 19 SER HB3 . 18880 1 92 . 1 1 19 19 SER C C 13 174.38 0.30 . 1 . . . A 19 SER C . 18880 1 93 . 1 1 19 19 SER CA C 13 58.61 0.30 . 1 . . . A 19 SER CA . 18880 1 94 . 1 1 19 19 SER CB C 13 63.83 0.30 . 1 . . . A 19 SER CB . 18880 1 95 . 1 1 19 19 SER N N 15 115.50 0.30 . 1 . . . A 19 SER N . 18880 1 96 . 1 1 20 20 HIS H H 1 8.59 0.02 . 1 . . . A 20 HIS H . 18880 1 97 . 1 1 20 20 HIS HA H 1 4.61 0.02 . 1 . . . A 20 HIS HA . 18880 1 98 . 1 1 20 20 HIS HB2 H 1 2.68 0.02 . 2 . . . A 20 HIS HB2 . 18880 1 99 . 1 1 20 20 HIS HB3 H 1 2.68 0.02 . 2 . . . A 20 HIS HB3 . 18880 1 100 . 1 1 20 20 HIS C C 13 174.87 0.30 . 1 . . . A 20 HIS C . 18880 1 101 . 1 1 20 20 HIS CA C 13 56.13 0.30 . 1 . . . A 20 HIS CA . 18880 1 102 . 1 1 20 20 HIS CB C 13 29.71 0.30 . 1 . . . A 20 HIS CB . 18880 1 103 . 1 1 20 20 HIS N N 15 120.77 0.30 . 1 . . . A 20 HIS N . 18880 1 104 . 1 1 21 21 MET H H 1 8.31 0.02 . 1 . . . A 21 MET H . 18880 1 105 . 1 1 21 21 MET HA H 1 4.47 0.02 . 1 . . . A 21 MET HA . 18880 1 106 . 1 1 21 21 MET HB2 H 1 1.94 0.02 . 2 . . . A 21 MET HB2 . 18880 1 107 . 1 1 21 21 MET HB3 H 1 2.04 0.02 . 2 . . . A 21 MET HB3 . 18880 1 108 . 1 1 21 21 MET HG2 H 1 2.41 0.02 . 2 . . . A 21 MET HG2 . 18880 1 109 . 1 1 21 21 MET HG3 H 1 2.47 0.02 . 2 . . . A 21 MET HG3 . 18880 1 110 . 1 1 21 21 MET C C 13 176.03 0.30 . 1 . . . A 21 MET C . 18880 1 111 . 1 1 21 21 MET CA C 13 55.49 0.30 . 1 . . . A 21 MET CA . 18880 1 112 . 1 1 21 21 MET CB C 13 33.17 0.30 . 1 . . . A 21 MET CB . 18880 1 113 . 1 1 21 21 MET CG C 13 32.01 0.30 . 1 . . . A 21 MET CG . 18880 1 114 . 1 1 21 21 MET N N 15 121.44 0.30 . 1 . . . A 21 MET N . 18880 1 115 . 1 1 22 22 SER H H 1 8.34 0.02 . 1 . . . A 22 SER H . 18880 1 116 . 1 1 22 22 SER HA H 1 4.43 0.02 . 1 . . . A 22 SER HA . 18880 1 117 . 1 1 22 22 SER HB2 H 1 3.88 0.02 . 2 . . . A 22 SER HB2 . 18880 1 118 . 1 1 22 22 SER HB3 H 1 4.01 0.02 . 2 . . . A 22 SER HB3 . 18880 1 119 . 1 1 22 22 SER C C 13 174.63 0.30 . 1 . . . A 22 SER C . 18880 1 120 . 1 1 22 22 SER CA C 13 58.41 0.30 . 1 . . . A 22 SER CA . 18880 1 121 . 1 1 22 22 SER CB C 13 64.03 0.30 . 1 . . . A 22 SER CB . 18880 1 122 . 1 1 22 22 SER N N 15 116.86 0.30 . 1 . . . A 22 SER N . 18880 1 123 . 1 1 23 23 ASP H H 1 8.54 0.02 . 1 . . . A 23 ASP H . 18880 1 124 . 1 1 23 23 ASP HA H 1 4.55 0.02 . 1 . . . A 23 ASP HA . 18880 1 125 . 1 1 23 23 ASP HB2 H 1 2.71 0.02 . 2 . . . A 23 ASP HB2 . 18880 1 126 . 1 1 23 23 ASP HB3 H 1 2.71 0.02 . 2 . . . A 23 ASP HB3 . 18880 1 127 . 1 1 23 23 ASP C C 13 176.86 0.30 . 1 . . . A 23 ASP C . 18880 1 128 . 1 1 23 23 ASP CA C 13 55.33 0.30 . 1 . . . A 23 ASP CA . 18880 1 129 . 1 1 23 23 ASP CB C 13 41.00 0.30 . 1 . . . A 23 ASP CB . 18880 1 130 . 1 1 23 23 ASP N N 15 122.66 0.30 . 1 . . . A 23 ASP N . 18880 1 131 . 1 1 24 24 GLU H H 1 8.61 0.02 . 1 . . . A 24 GLU H . 18880 1 132 . 1 1 24 24 GLU HA H 1 4.14 0.02 . 1 . . . A 24 GLU HA . 18880 1 133 . 1 1 24 24 GLU HB2 H 1 2.03 0.02 . 2 . . . A 24 GLU HB2 . 18880 1 134 . 1 1 24 24 GLU HB3 H 1 2.03 0.02 . 2 . . . A 24 GLU HB3 . 18880 1 135 . 1 1 24 24 GLU HG2 H 1 2.30 0.02 . 2 . . . A 24 GLU HG2 . 18880 1 136 . 1 1 24 24 GLU HG3 H 1 2.30 0.02 . 2 . . . A 24 GLU HG3 . 18880 1 137 . 1 1 24 24 GLU C C 13 177.54 0.30 . 1 . . . A 24 GLU C . 18880 1 138 . 1 1 24 24 GLU CA C 13 58.36 0.30 . 1 . . . A 24 GLU CA . 18880 1 139 . 1 1 24 24 GLU CB C 13 29.75 0.30 . 1 . . . A 24 GLU CB . 18880 1 140 . 1 1 24 24 GLU CG C 13 36.46 0.30 . 1 . . . A 24 GLU CG . 18880 1 141 . 1 1 24 24 GLU N N 15 120.40 0.30 . 1 . . . A 24 GLU N . 18880 1 142 . 1 1 25 25 LYS H H 1 8.21 0.02 . 1 . . . A 25 LYS H . 18880 1 143 . 1 1 25 25 LYS HA H 1 4.19 0.02 . 1 . . . A 25 LYS HA . 18880 1 144 . 1 1 25 25 LYS HB2 H 1 1.87 0.02 . 2 . . . A 25 LYS HB2 . 18880 1 145 . 1 1 25 25 LYS HB3 H 1 1.87 0.02 . 2 . . . A 25 LYS HB3 . 18880 1 146 . 1 1 25 25 LYS HG2 H 1 1.41 0.02 . 2 . . . A 25 LYS HG2 . 18880 1 147 . 1 1 25 25 LYS HG3 H 1 1.48 0.02 . 2 . . . A 25 LYS HG3 . 18880 1 148 . 1 1 25 25 LYS HD2 H 1 1.67 0.02 . 2 . . . A 25 LYS HD2 . 18880 1 149 . 1 1 25 25 LYS HD3 H 1 1.67 0.02 . 2 . . . A 25 LYS HD3 . 18880 1 150 . 1 1 25 25 LYS HE2 H 1 2.95 0.02 . 2 . . . A 25 LYS HE2 . 18880 1 151 . 1 1 25 25 LYS HE3 H 1 2.95 0.02 . 2 . . . A 25 LYS HE3 . 18880 1 152 . 1 1 25 25 LYS C C 13 177.49 0.30 . 1 . . . A 25 LYS C . 18880 1 153 . 1 1 25 25 LYS CA C 13 58.11 0.30 . 1 . . . A 25 LYS CA . 18880 1 154 . 1 1 25 25 LYS CB C 13 32.49 0.30 . 1 . . . A 25 LYS CB . 18880 1 155 . 1 1 25 25 LYS CG C 13 25.24 0.30 . 1 . . . A 25 LYS CG . 18880 1 156 . 1 1 25 25 LYS CD C 13 29.20 0.30 . 1 . . . A 25 LYS CD . 18880 1 157 . 1 1 25 25 LYS CE C 13 42.30 0.30 . 1 . . . A 25 LYS CE . 18880 1 158 . 1 1 25 25 LYS N N 15 120.39 0.30 . 1 . . . A 25 LYS N . 18880 1 159 . 1 1 26 26 THR H H 1 8.08 0.02 . 1 . . . A 26 THR H . 18880 1 160 . 1 1 26 26 THR HA H 1 4.04 0.02 . 1 . . . A 26 THR HA . 18880 1 161 . 1 1 26 26 THR HB H 1 4.23 0.02 . 1 . . . A 26 THR HB . 18880 1 162 . 1 1 26 26 THR HG21 H 1 1.20 0.02 . 1 . . . A 26 THR HG21 . 18880 1 163 . 1 1 26 26 THR HG22 H 1 1.20 0.02 . 1 . . . A 26 THR HG22 . 18880 1 164 . 1 1 26 26 THR HG23 H 1 1.20 0.02 . 1 . . . A 26 THR HG23 . 18880 1 165 . 1 1 26 26 THR C C 13 175.43 0.30 . 1 . . . A 26 THR C . 18880 1 166 . 1 1 26 26 THR CA C 13 64.62 0.30 . 1 . . . A 26 THR CA . 18880 1 167 . 1 1 26 26 THR CB C 13 69.11 0.30 . 1 . . . A 26 THR CB . 18880 1 168 . 1 1 26 26 THR CG2 C 13 21.99 0.30 . 1 . . . A 26 THR CG2 . 18880 1 169 . 1 1 26 26 THR N N 15 114.88 0.30 . 1 . . . A 26 THR N . 18880 1 170 . 1 1 27 27 GLN H H 1 8.24 0.02 . 1 . . . A 27 GLN H . 18880 1 171 . 1 1 27 27 GLN HA H 1 4.19 0.02 . 1 . . . A 27 GLN HA . 18880 1 172 . 1 1 27 27 GLN HB2 H 1 2.08 0.02 . 2 . . . A 27 GLN HB2 . 18880 1 173 . 1 1 27 27 GLN HB3 H 1 2.08 0.02 . 2 . . . A 27 GLN HB3 . 18880 1 174 . 1 1 27 27 GLN HG2 H 1 2.36 0.02 . 2 . . . A 27 GLN HG2 . 18880 1 175 . 1 1 27 27 GLN HG3 H 1 2.41 0.02 . 2 . . . A 27 GLN HG3 . 18880 1 176 . 1 1 27 27 GLN HE21 H 1 6.82 0.02 . 2 . . . A 27 GLN HE21 . 18880 1 177 . 1 1 27 27 GLN HE22 H 1 7.48 0.02 . 2 . . . A 27 GLN HE22 . 18880 1 178 . 1 1 27 27 GLN C C 13 177.28 0.30 . 1 . . . A 27 GLN C . 18880 1 179 . 1 1 27 27 GLN CA C 13 57.55 0.30 . 1 . . . A 27 GLN CA . 18880 1 180 . 1 1 27 27 GLN CB C 13 29.09 0.30 . 1 . . . A 27 GLN CB . 18880 1 181 . 1 1 27 27 GLN CG C 13 34.16 0.30 . 1 . . . A 27 GLN CG . 18880 1 182 . 1 1 27 27 GLN N N 15 120.94 0.30 . 1 . . . A 27 GLN N . 18880 1 183 . 1 1 27 27 GLN NE2 N 15 111.81 0.30 . 1 . . . A 27 GLN NE2 . 18880 1 184 . 1 1 28 28 LEU H H 1 7.95 0.02 . 1 . . . A 28 LEU H . 18880 1 185 . 1 1 28 28 LEU HA H 1 4.17 0.02 . 1 . . . A 28 LEU HA . 18880 1 186 . 1 1 28 28 LEU HB2 H 1 1.60 0.02 . 2 . . . A 28 LEU HB2 . 18880 1 187 . 1 1 28 28 LEU HB3 H 1 1.71 0.02 . 2 . . . A 28 LEU HB3 . 18880 1 188 . 1 1 28 28 LEU HG H 1 1.60 0.02 . 1 . . . A 28 LEU HG . 18880 1 189 . 1 1 28 28 LEU HD11 H 1 0.78 0.02 . 2 . . . A 28 LEU HD11 . 18880 1 190 . 1 1 28 28 LEU HD12 H 1 0.78 0.02 . 2 . . . A 28 LEU HD12 . 18880 1 191 . 1 1 28 28 LEU HD13 H 1 0.78 0.02 . 2 . . . A 28 LEU HD13 . 18880 1 192 . 1 1 28 28 LEU HD21 H 1 0.81 0.02 . 2 . . . A 28 LEU HD21 . 18880 1 193 . 1 1 28 28 LEU HD22 H 1 0.81 0.02 . 2 . . . A 28 LEU HD22 . 18880 1 194 . 1 1 28 28 LEU HD23 H 1 0.81 0.02 . 2 . . . A 28 LEU HD23 . 18880 1 195 . 1 1 28 28 LEU C C 13 177.75 0.30 . 1 . . . A 28 LEU C . 18880 1 196 . 1 1 28 28 LEU CA C 13 57.08 0.30 . 1 . . . A 28 LEU CA . 18880 1 197 . 1 1 28 28 LEU CB C 13 42.27 0.30 . 1 . . . A 28 LEU CB . 18880 1 198 . 1 1 28 28 LEU CG C 13 27.54 0.30 . 1 . . . A 28 LEU CG . 18880 1 199 . 1 1 28 28 LEU CD1 C 13 24.49 0.30 . 1 . . . A 28 LEU CD1 . 18880 1 200 . 1 1 28 28 LEU CD2 C 13 25.00 0.30 . 1 . . . A 28 LEU CD2 . 18880 1 201 . 1 1 28 28 LEU N N 15 121.86 0.30 . 1 . . . A 28 LEU N . 18880 1 202 . 1 1 29 29 ILE H H 1 7.95 0.02 . 1 . . . A 29 ILE H . 18880 1 203 . 1 1 29 29 ILE HA H 1 3.90 0.02 . 1 . . . A 29 ILE HA . 18880 1 204 . 1 1 29 29 ILE HB H 1 1.89 0.02 . 1 . . . A 29 ILE HB . 18880 1 205 . 1 1 29 29 ILE HG12 H 1 1.11 0.02 . 1 . . . A 29 ILE HG12 . 18880 1 206 . 1 1 29 29 ILE HG13 H 1 1.54 0.02 . 1 . . . A 29 ILE HG13 . 18880 1 207 . 1 1 29 29 ILE HG21 H 1 0.90 0.02 . 1 . . . A 29 ILE HG21 . 18880 1 208 . 1 1 29 29 ILE HG22 H 1 0.90 0.02 . 1 . . . A 29 ILE HG22 . 18880 1 209 . 1 1 29 29 ILE HG23 H 1 0.90 0.02 . 1 . . . A 29 ILE HG23 . 18880 1 210 . 1 1 29 29 ILE HD11 H 1 0.79 0.02 . 1 . . . A 29 ILE HD11 . 18880 1 211 . 1 1 29 29 ILE HD12 H 1 0.79 0.02 . 1 . . . A 29 ILE HD12 . 18880 1 212 . 1 1 29 29 ILE HD13 H 1 0.79 0.02 . 1 . . . A 29 ILE HD13 . 18880 1 213 . 1 1 29 29 ILE C C 13 177.14 0.30 . 1 . . . A 29 ILE C . 18880 1 214 . 1 1 29 29 ILE CA C 13 63.30 0.30 . 1 . . . A 29 ILE CA . 18880 1 215 . 1 1 29 29 ILE CB C 13 38.28 0.30 . 1 . . . A 29 ILE CB . 18880 1 216 . 1 1 29 29 ILE CG1 C 13 28.56 0.30 . 1 . . . A 29 ILE CG1 . 18880 1 217 . 1 1 29 29 ILE CG2 C 13 18.13 0.30 . 1 . . . A 29 ILE CG2 . 18880 1 218 . 1 1 29 29 ILE CD1 C 13 13.80 0.30 . 1 . . . A 29 ILE CD1 . 18880 1 219 . 1 1 29 29 ILE N N 15 119.26 0.30 . 1 . . . A 29 ILE N . 18880 1 220 . 1 1 30 30 GLU H H 1 8.22 0.02 . 1 . . . A 30 GLU H . 18880 1 221 . 1 1 30 30 GLU HA H 1 4.05 0.02 . 1 . . . A 30 GLU HA . 18880 1 222 . 1 1 30 30 GLU HB2 H 1 1.94 0.02 . 2 . . . A 30 GLU HB2 . 18880 1 223 . 1 1 30 30 GLU HB3 H 1 1.94 0.02 . 2 . . . A 30 GLU HB3 . 18880 1 224 . 1 1 30 30 GLU HG2 H 1 2.24 0.02 . 2 . . . A 30 GLU HG2 . 18880 1 225 . 1 1 30 30 GLU HG3 H 1 2.32 0.02 . 2 . . . A 30 GLU HG3 . 18880 1 226 . 1 1 30 30 GLU C C 13 177.56 0.30 . 1 . . . A 30 GLU C . 18880 1 227 . 1 1 30 30 GLU CA C 13 58.09 0.30 . 1 . . . A 30 GLU CA . 18880 1 228 . 1 1 30 30 GLU CB C 13 29.59 0.30 . 1 . . . A 30 GLU CB . 18880 1 229 . 1 1 30 30 GLU CG C 13 36.54 0.30 . 1 . . . A 30 GLU CG . 18880 1 230 . 1 1 30 30 GLU N N 15 120.50 0.30 . 1 . . . A 30 GLU N . 18880 1 231 . 1 1 31 31 ALA H H 1 7.89 0.02 . 1 . . . A 31 ALA H . 18880 1 232 . 1 1 31 31 ALA HA H 1 4.15 0.02 . 1 . . . A 31 ALA HA . 18880 1 233 . 1 1 31 31 ALA HB1 H 1 1.30 0.02 . 1 . . . A 31 ALA HB1 . 18880 1 234 . 1 1 31 31 ALA HB2 H 1 1.30 0.02 . 1 . . . A 31 ALA HB2 . 18880 1 235 . 1 1 31 31 ALA HB3 H 1 1.30 0.02 . 1 . . . A 31 ALA HB3 . 18880 1 236 . 1 1 31 31 ALA C C 13 178.55 0.30 . 1 . . . A 31 ALA C . 18880 1 237 . 1 1 31 31 ALA CA C 13 53.80 0.30 . 1 . . . A 31 ALA CA . 18880 1 238 . 1 1 31 31 ALA CB C 13 18.63 0.30 . 1 . . . A 31 ALA CB . 18880 1 239 . 1 1 31 31 ALA N N 15 121.55 0.30 . 1 . . . A 31 ALA N . 18880 1 240 . 1 1 32 32 PHE H H 1 7.93 0.02 . 1 . . . A 32 PHE H . 18880 1 241 . 1 1 32 32 PHE HA H 1 4.30 0.02 . 1 . . . A 32 PHE HA . 18880 1 242 . 1 1 32 32 PHE HB2 H 1 2.91 0.02 . 2 . . . A 32 PHE HB2 . 18880 1 243 . 1 1 32 32 PHE HB3 H 1 2.91 0.02 . 2 . . . A 32 PHE HB3 . 18880 1 244 . 1 1 32 32 PHE HD1 H 1 6.95 0.02 . 3 . . . A 32 PHE HD1 . 18880 1 245 . 1 1 32 32 PHE C C 13 176.21 0.30 . 1 . . . A 32 PHE C . 18880 1 246 . 1 1 32 32 PHE CA C 13 59.34 0.30 . 1 . . . A 32 PHE CA . 18880 1 247 . 1 1 32 32 PHE CB C 13 39.75 0.30 . 1 . . . A 32 PHE CB . 18880 1 248 . 1 1 32 32 PHE CD1 C 13 131.77 0.30 . 3 . . . A 32 PHE CD1 . 18880 1 249 . 1 1 32 32 PHE N N 15 117.24 0.30 . 1 . . . A 32 PHE N . 18880 1 250 . 1 1 33 33 TYR H H 1 7.95 0.02 . 1 . . . A 33 TYR H . 18880 1 251 . 1 1 33 33 TYR HA H 1 4.33 0.02 . 1 . . . A 33 TYR HA . 18880 1 252 . 1 1 33 33 TYR HB2 H 1 2.84 0.02 . 2 . . . A 33 TYR HB2 . 18880 1 253 . 1 1 33 33 TYR HB3 H 1 2.90 0.02 . 2 . . . A 33 TYR HB3 . 18880 1 254 . 1 1 33 33 TYR HD1 H 1 7.01 0.02 . 3 . . . A 33 TYR HD1 . 18880 1 255 . 1 1 33 33 TYR HE1 H 1 6.72 0.02 . 3 . . . A 33 TYR HE1 . 18880 1 256 . 1 1 33 33 TYR C C 13 175.68 0.30 . 1 . . . A 33 TYR C . 18880 1 257 . 1 1 33 33 TYR CA C 13 58.92 0.30 . 1 . . . A 33 TYR CA . 18880 1 258 . 1 1 33 33 TYR CB C 13 38.54 0.30 . 1 . . . A 33 TYR CB . 18880 1 259 . 1 1 33 33 TYR CD1 C 13 133.17 0.30 . 3 . . . A 33 TYR CD1 . 18880 1 260 . 1 1 33 33 TYR N N 15 119.05 0.30 . 1 . . . A 33 TYR N . 18880 1 261 . 1 1 34 34 ASN H H 1 7.96 0.02 . 1 . . . A 34 ASN H . 18880 1 262 . 1 1 34 34 ASN HA H 1 4.63 0.02 . 1 . . . A 34 ASN HA . 18880 1 263 . 1 1 34 34 ASN HB2 H 1 2.62 0.02 . 2 . . . A 34 ASN HB2 . 18880 1 264 . 1 1 34 34 ASN HB3 H 1 2.75 0.02 . 2 . . . A 34 ASN HB3 . 18880 1 265 . 1 1 34 34 ASN HD21 H 1 6.89 0.02 . 2 . . . A 34 ASN HD21 . 18880 1 266 . 1 1 34 34 ASN HD22 H 1 7.50 0.02 . 2 . . . A 34 ASN HD22 . 18880 1 267 . 1 1 34 34 ASN C C 13 174.81 0.30 . 1 . . . A 34 ASN C . 18880 1 268 . 1 1 34 34 ASN CA C 13 53.15 0.30 . 1 . . . A 34 ASN CA . 18880 1 269 . 1 1 34 34 ASN CB C 13 38.98 0.30 . 1 . . . A 34 ASN CB . 18880 1 270 . 1 1 34 34 ASN N N 15 118.39 0.30 . 1 . . . A 34 ASN N . 18880 1 271 . 1 1 34 34 ASN ND2 N 15 112.53 0.30 . 1 . . . A 34 ASN ND2 . 18880 1 272 . 1 1 35 35 PHE H H 1 7.83 0.02 . 1 . . . A 35 PHE H . 18880 1 273 . 1 1 35 35 PHE HA H 1 4.45 0.02 . 1 . . . A 35 PHE HA . 18880 1 274 . 1 1 35 35 PHE HB2 H 1 2.98 0.02 . 2 . . . A 35 PHE HB2 . 18880 1 275 . 1 1 35 35 PHE HB3 H 1 3.05 0.02 . 2 . . . A 35 PHE HB3 . 18880 1 276 . 1 1 35 35 PHE HD1 H 1 7.09 0.02 . 3 . . . A 35 PHE HD1 . 18880 1 277 . 1 1 35 35 PHE C C 13 175.31 0.30 . 1 . . . A 35 PHE C . 18880 1 278 . 1 1 35 35 PHE CA C 13 58.32 0.30 . 1 . . . A 35 PHE CA . 18880 1 279 . 1 1 35 35 PHE CB C 13 39.42 0.30 . 1 . . . A 35 PHE CB . 18880 1 280 . 1 1 35 35 PHE CD1 C 13 131.91 0.30 . 3 . . . A 35 PHE CD1 . 18880 1 281 . 1 1 35 35 PHE N N 15 120.67 0.30 . 1 . . . A 35 PHE N . 18880 1 282 . 1 1 36 36 ASP H H 1 8.18 0.02 . 1 . . . A 36 ASP H . 18880 1 283 . 1 1 36 36 ASP HA H 1 4.59 0.02 . 1 . . . A 36 ASP HA . 18880 1 284 . 1 1 36 36 ASP HB2 H 1 2.59 0.02 . 2 . . . A 36 ASP HB2 . 18880 1 285 . 1 1 36 36 ASP HB3 H 1 2.66 0.02 . 2 . . . A 36 ASP HB3 . 18880 1 286 . 1 1 36 36 ASP C C 13 176.15 0.30 . 1 . . . A 36 ASP C . 18880 1 287 . 1 1 36 36 ASP CA C 13 54.07 0.30 . 1 . . . A 36 ASP CA . 18880 1 288 . 1 1 36 36 ASP CB C 13 41.32 0.30 . 1 . . . A 36 ASP CB . 18880 1 289 . 1 1 36 36 ASP N N 15 122.40 0.30 . 1 . . . A 36 ASP N . 18880 1 290 . 1 1 37 37 GLY H H 1 7.68 0.02 . 1 . . . A 37 GLY H . 18880 1 291 . 1 1 37 37 GLY HA2 H 1 3.81 0.02 . 2 . . . A 37 GLY HA2 . 18880 1 292 . 1 1 37 37 GLY HA3 H 1 3.81 0.02 . 2 . . . A 37 GLY HA3 . 18880 1 293 . 1 1 37 37 GLY C C 13 173.66 0.30 . 1 . . . A 37 GLY C . 18880 1 294 . 1 1 37 37 GLY CA C 13 45.61 0.30 . 1 . . . A 37 GLY CA . 18880 1 295 . 1 1 37 37 GLY N N 15 108.56 0.30 . 1 . . . A 37 GLY N . 18880 1 296 . 1 1 38 38 ASP H H 1 8.22 0.02 . 1 . . . A 38 ASP H . 18880 1 297 . 1 1 38 38 ASP HA H 1 4.60 0.02 . 1 . . . A 38 ASP HA . 18880 1 298 . 1 1 38 38 ASP HB2 H 1 2.48 0.02 . 2 . . . A 38 ASP HB2 . 18880 1 299 . 1 1 38 38 ASP HB3 H 1 2.62 0.02 . 2 . . . A 38 ASP HB3 . 18880 1 300 . 1 1 38 38 ASP CA C 13 54.26 0.30 . 1 . . . A 38 ASP CA . 18880 1 301 . 1 1 38 38 ASP CB C 13 41.45 0.30 . 1 . . . A 38 ASP CB . 18880 1 302 . 1 1 38 38 ASP N N 15 120.01 0.30 . 1 . . . A 38 ASP N . 18880 1 303 . 1 1 39 39 TYR H H 1 8.09 0.02 . 1 . . . A 39 TYR H . 18880 1 304 . 1 1 39 39 TYR HA H 1 4.39 0.02 . 1 . . . A 39 TYR HA . 18880 1 305 . 1 1 39 39 TYR HB2 H 1 2.79 0.02 . 2 . . . A 39 TYR HB2 . 18880 1 306 . 1 1 39 39 TYR HB3 H 1 2.79 0.02 . 2 . . . A 39 TYR HB3 . 18880 1 307 . 1 1 39 39 TYR HD1 H 1 6.90 0.02 . 3 . . . A 39 TYR HD1 . 18880 1 308 . 1 1 39 39 TYR HE1 H 1 6.67 0.02 . 3 . . . A 39 TYR HE1 . 18880 1 309 . 1 1 39 39 TYR C C 13 175.29 0.30 . 1 . . . A 39 TYR C . 18880 1 310 . 1 1 39 39 TYR CA C 13 58.20 0.30 . 1 . . . A 39 TYR CA . 18880 1 311 . 1 1 39 39 TYR CB C 13 39.17 0.30 . 1 . . . A 39 TYR CB . 18880 1 312 . 1 1 39 39 TYR CD1 C 13 133.24 0.30 . 3 . . . A 39 TYR CD1 . 18880 1 313 . 1 1 39 39 TYR CE1 C 13 127.50 0.30 . 3 . . . A 39 TYR CE1 . 18880 1 314 . 1 1 39 39 TYR N N 15 121.03 0.30 . 1 . . . A 39 TYR N . 18880 1 315 . 1 1 40 40 ASP H H 1 8.20 0.02 . 1 . . . A 40 ASP H . 18880 1 316 . 1 1 40 40 ASP HA H 1 4.60 0.02 . 1 . . . A 40 ASP HA . 18880 1 317 . 1 1 40 40 ASP HB2 H 1 2.62 0.02 . 2 . . . A 40 ASP HB2 . 18880 1 318 . 1 1 40 40 ASP HB3 H 1 2.62 0.02 . 2 . . . A 40 ASP HB3 . 18880 1 319 . 1 1 40 40 ASP C C 13 175.97 0.30 . 1 . . . A 40 ASP C . 18880 1 320 . 1 1 40 40 ASP CA C 13 54.22 0.30 . 1 . . . A 40 ASP CA . 18880 1 321 . 1 1 40 40 ASP CB C 13 41.52 0.30 . 1 . . . A 40 ASP CB . 18880 1 322 . 1 1 40 40 ASP N N 15 122.02 0.30 . 1 . . . A 40 ASP N . 18880 1 323 . 1 1 41 41 GLY H H 1 7.83 0.02 . 1 . . . A 41 GLY H . 18880 1 324 . 1 1 41 41 GLY HA2 H 1 3.71 0.02 . 2 . . . A 41 GLY HA2 . 18880 1 325 . 1 1 41 41 GLY HA3 H 1 3.87 0.02 . 2 . . . A 41 GLY HA3 . 18880 1 326 . 1 1 41 41 GLY C C 13 173.00 0.30 . 1 . . . A 41 GLY C . 18880 1 327 . 1 1 41 41 GLY CA C 13 45.42 0.30 . 1 . . . A 41 GLY CA . 18880 1 328 . 1 1 41 41 GLY N N 15 108.33 0.30 . 1 . . . A 41 GLY N . 18880 1 329 . 1 1 42 42 PHE H H 1 8.15 0.02 . 1 . . . A 42 PHE H . 18880 1 330 . 1 1 42 42 PHE HA H 1 5.26 0.02 . 1 . . . A 42 PHE HA . 18880 1 331 . 1 1 42 42 PHE HB2 H 1 2.92 0.02 . 2 . . . A 42 PHE HB2 . 18880 1 332 . 1 1 42 42 PHE HB3 H 1 2.92 0.02 . 2 . . . A 42 PHE HB3 . 18880 1 333 . 1 1 42 42 PHE HD1 H 1 7.01 0.02 . 3 . . . A 42 PHE HD1 . 18880 1 334 . 1 1 42 42 PHE HE1 H 1 7.28 0.02 . 3 . . . A 42 PHE HE1 . 18880 1 335 . 1 1 42 42 PHE C C 13 175.66 0.30 . 1 . . . A 42 PHE C . 18880 1 336 . 1 1 42 42 PHE CA C 13 57.16 0.30 . 1 . . . A 42 PHE CA . 18880 1 337 . 1 1 42 42 PHE CB C 13 41.17 0.30 . 1 . . . A 42 PHE CB . 18880 1 338 . 1 1 42 42 PHE CD1 C 13 131.62 0.30 . 3 . . . A 42 PHE CD1 . 18880 1 339 . 1 1 42 42 PHE CE1 C 13 131.56 0.30 . 3 . . . A 42 PHE CE1 . 18880 1 340 . 1 1 42 42 PHE N N 15 118.60 0.30 . 1 . . . A 42 PHE N . 18880 1 341 . 1 1 43 43 VAL H H 1 9.07 0.02 . 1 . . . A 43 VAL H . 18880 1 342 . 1 1 43 43 VAL HA H 1 4.67 0.02 . 1 . . . A 43 VAL HA . 18880 1 343 . 1 1 43 43 VAL HB H 1 2.04 0.02 . 1 . . . A 43 VAL HB . 18880 1 344 . 1 1 43 43 VAL HG11 H 1 0.80 0.02 . 2 . . . A 43 VAL HG11 . 18880 1 345 . 1 1 43 43 VAL HG12 H 1 0.80 0.02 . 2 . . . A 43 VAL HG12 . 18880 1 346 . 1 1 43 43 VAL HG13 H 1 0.80 0.02 . 2 . . . A 43 VAL HG13 . 18880 1 347 . 1 1 43 43 VAL HG21 H 1 0.80 0.02 . 2 . . . A 43 VAL HG21 . 18880 1 348 . 1 1 43 43 VAL HG22 H 1 0.80 0.02 . 2 . . . A 43 VAL HG22 . 18880 1 349 . 1 1 43 43 VAL HG23 H 1 0.80 0.02 . 2 . . . A 43 VAL HG23 . 18880 1 350 . 1 1 43 43 VAL C C 13 175.11 0.30 . 1 . . . A 43 VAL C . 18880 1 351 . 1 1 43 43 VAL CA C 13 60.62 0.30 . 1 . . . A 43 VAL CA . 18880 1 352 . 1 1 43 43 VAL CB C 13 32.88 0.30 . 1 . . . A 43 VAL CB . 18880 1 353 . 1 1 43 43 VAL CG1 C 13 20.80 0.30 . 1 . . . A 43 VAL CG1 . 18880 1 354 . 1 1 43 43 VAL CG2 C 13 21.39 0.30 . 1 . . . A 43 VAL CG2 . 18880 1 355 . 1 1 43 43 VAL N N 15 119.18 0.30 . 1 . . . A 43 VAL N . 18880 1 356 . 1 1 44 44 SER H H 1 9.14 0.02 . 1 . . . A 44 SER H . 18880 1 357 . 1 1 44 44 SER HA H 1 4.57 0.02 . 1 . . . A 44 SER HA . 18880 1 358 . 1 1 44 44 SER HB2 H 1 3.95 0.02 . 2 . . . A 44 SER HB2 . 18880 1 359 . 1 1 44 44 SER HB3 H 1 4.12 0.02 . 2 . . . A 44 SER HB3 . 18880 1 360 . 1 1 44 44 SER C C 13 175.66 0.30 . 1 . . . A 44 SER C . 18880 1 361 . 1 1 44 44 SER CA C 13 57.72 0.30 . 1 . . . A 44 SER CA . 18880 1 362 . 1 1 44 44 SER CB C 13 63.69 0.30 . 1 . . . A 44 SER CB . 18880 1 363 . 1 1 44 44 SER N N 15 121.38 0.30 . 1 . . . A 44 SER N . 18880 1 364 . 1 1 45 45 VAL H H 1 8.14 0.02 . 1 . . . A 45 VAL H . 18880 1 365 . 1 1 45 45 VAL HA H 1 3.50 0.02 . 1 . . . A 45 VAL HA . 18880 1 366 . 1 1 45 45 VAL HB H 1 1.60 0.02 . 1 . . . A 45 VAL HB . 18880 1 367 . 1 1 45 45 VAL HG11 H 1 0.41 0.02 . 2 . . . A 45 VAL HG11 . 18880 1 368 . 1 1 45 45 VAL HG12 H 1 0.41 0.02 . 2 . . . A 45 VAL HG12 . 18880 1 369 . 1 1 45 45 VAL HG13 H 1 0.41 0.02 . 2 . . . A 45 VAL HG13 . 18880 1 370 . 1 1 45 45 VAL HG21 H 1 0.67 0.02 . 2 . . . A 45 VAL HG21 . 18880 1 371 . 1 1 45 45 VAL HG22 H 1 0.67 0.02 . 2 . . . A 45 VAL HG22 . 18880 1 372 . 1 1 45 45 VAL HG23 H 1 0.67 0.02 . 2 . . . A 45 VAL HG23 . 18880 1 373 . 1 1 45 45 VAL C C 13 177.24 0.30 . 1 . . . A 45 VAL C . 18880 1 374 . 1 1 45 45 VAL CA C 13 66.27 0.30 . 1 . . . A 45 VAL CA . 18880 1 375 . 1 1 45 45 VAL CB C 13 31.45 0.30 . 1 . . . A 45 VAL CB . 18880 1 376 . 1 1 45 45 VAL CG1 C 13 20.42 0.30 . 1 . . . A 45 VAL CG1 . 18880 1 377 . 1 1 45 45 VAL CG2 C 13 21.43 0.30 . 1 . . . A 45 VAL CG2 . 18880 1 378 . 1 1 45 45 VAL N N 15 122.72 0.30 . 1 . . . A 45 VAL N . 18880 1 379 . 1 1 46 46 GLU H H 1 8.23 0.02 . 1 . . . A 46 GLU H . 18880 1 380 . 1 1 46 46 GLU HA H 1 3.98 0.02 . 1 . . . A 46 GLU HA . 18880 1 381 . 1 1 46 46 GLU HB2 H 1 1.94 0.02 . 2 . . . A 46 GLU HB2 . 18880 1 382 . 1 1 46 46 GLU HB3 H 1 1.94 0.02 . 2 . . . A 46 GLU HB3 . 18880 1 383 . 1 1 46 46 GLU HG2 H 1 2.25 0.02 . 2 . . . A 46 GLU HG2 . 18880 1 384 . 1 1 46 46 GLU HG3 H 1 2.25 0.02 . 2 . . . A 46 GLU HG3 . 18880 1 385 . 1 1 46 46 GLU C C 13 179.46 0.30 . 1 . . . A 46 GLU C . 18880 1 386 . 1 1 46 46 GLU CA C 13 59.56 0.30 . 1 . . . A 46 GLU CA . 18880 1 387 . 1 1 46 46 GLU CB C 13 29.16 0.30 . 1 . . . A 46 GLU CB . 18880 1 388 . 1 1 46 46 GLU CG C 13 36.21 0.30 . 1 . . . A 46 GLU CG . 18880 1 389 . 1 1 46 46 GLU N N 15 118.99 0.30 . 1 . . . A 46 GLU N . 18880 1 390 . 1 1 47 47 GLU H H 1 7.88 0.02 . 1 . . . A 47 GLU H . 18880 1 391 . 1 1 47 47 GLU HA H 1 4.08 0.02 . 1 . . . A 47 GLU HA . 18880 1 392 . 1 1 47 47 GLU HB2 H 1 2.02 0.02 . 2 . . . A 47 GLU HB2 . 18880 1 393 . 1 1 47 47 GLU HB3 H 1 2.20 0.02 . 2 . . . A 47 GLU HB3 . 18880 1 394 . 1 1 47 47 GLU HG2 H 1 2.25 0.02 . 2 . . . A 47 GLU HG2 . 18880 1 395 . 1 1 47 47 GLU HG3 H 1 2.33 0.02 . 2 . . . A 47 GLU HG3 . 18880 1 396 . 1 1 47 47 GLU C C 13 179.17 0.30 . 1 . . . A 47 GLU C . 18880 1 397 . 1 1 47 47 GLU CA C 13 58.89 0.30 . 1 . . . A 47 GLU CA . 18880 1 398 . 1 1 47 47 GLU CB C 13 29.82 0.30 . 1 . . . A 47 GLU CB . 18880 1 399 . 1 1 47 47 GLU CG C 13 37.46 0.30 . 1 . . . A 47 GLU CG . 18880 1 400 . 1 1 47 47 GLU N N 15 120.12 0.30 . 1 . . . A 47 GLU N . 18880 1 401 . 1 1 48 48 PHE H H 1 8.60 0.02 . 1 . . . A 48 PHE H . 18880 1 402 . 1 1 48 48 PHE HA H 1 4.19 0.02 . 1 . . . A 48 PHE HA . 18880 1 403 . 1 1 48 48 PHE HB2 H 1 3.13 0.02 . 2 . . . A 48 PHE HB2 . 18880 1 404 . 1 1 48 48 PHE HB3 H 1 3.20 0.02 . 2 . . . A 48 PHE HB3 . 18880 1 405 . 1 1 48 48 PHE HD1 H 1 7.03 0.02 . 3 . . . A 48 PHE HD1 . 18880 1 406 . 1 1 48 48 PHE HE1 H 1 6.88 0.02 . 3 . . . A 48 PHE HE1 . 18880 1 407 . 1 1 48 48 PHE C C 13 176.92 0.30 . 1 . . . A 48 PHE C . 18880 1 408 . 1 1 48 48 PHE CA C 13 60.87 0.30 . 1 . . . A 48 PHE CA . 18880 1 409 . 1 1 48 48 PHE CB C 13 39.26 0.30 . 1 . . . A 48 PHE CB . 18880 1 410 . 1 1 48 48 PHE CD1 C 13 131.13 0.30 . 3 . . . A 48 PHE CD1 . 18880 1 411 . 1 1 48 48 PHE CE1 C 13 131.13 0.30 . 3 . . . A 48 PHE CE1 . 18880 1 412 . 1 1 48 48 PHE N N 15 120.83 0.30 . 1 . . . A 48 PHE N . 18880 1 413 . 1 1 49 49 ARG H H 1 8.65 0.02 . 1 . . . A 49 ARG H . 18880 1 414 . 1 1 49 49 ARG HA H 1 3.86 0.02 . 1 . . . A 49 ARG HA . 18880 1 415 . 1 1 49 49 ARG HB2 H 1 1.83 0.02 . 2 . . . A 49 ARG HB2 . 18880 1 416 . 1 1 49 49 ARG HB3 H 1 1.85 0.02 . 2 . . . A 49 ARG HB3 . 18880 1 417 . 1 1 49 49 ARG HG2 H 1 1.54 0.02 . 2 . . . A 49 ARG HG2 . 18880 1 418 . 1 1 49 49 ARG HG3 H 1 1.71 0.02 . 2 . . . A 49 ARG HG3 . 18880 1 419 . 1 1 49 49 ARG HD2 H 1 3.09 0.02 . 2 . . . A 49 ARG HD2 . 18880 1 420 . 1 1 49 49 ARG HD3 H 1 3.16 0.02 . 2 . . . A 49 ARG HD3 . 18880 1 421 . 1 1 49 49 ARG HE H 1 7.42 0.02 . 1 . . . A 49 ARG HE . 18880 1 422 . 1 1 49 49 ARG C C 13 178.09 0.30 . 1 . . . A 49 ARG C . 18880 1 423 . 1 1 49 49 ARG CA C 13 60.07 0.30 . 1 . . . A 49 ARG CA . 18880 1 424 . 1 1 49 49 ARG CB C 13 30.14 0.30 . 1 . . . A 49 ARG CB . 18880 1 425 . 1 1 49 49 ARG CG C 13 28.51 0.30 . 1 . . . A 49 ARG CG . 18880 1 426 . 1 1 49 49 ARG CD C 13 43.57 0.30 . 1 . . . A 49 ARG CD . 18880 1 427 . 1 1 49 49 ARG N N 15 118.47 0.30 . 1 . . . A 49 ARG N . 18880 1 428 . 1 1 49 49 ARG NE N 15 106.66 0.30 . 1 . . . A 49 ARG NE . 18880 1 429 . 1 1 50 50 GLY H H 1 7.62 0.02 . 1 . . . A 50 GLY H . 18880 1 430 . 1 1 50 50 GLY HA2 H 1 3.82 0.02 . 2 . . . A 50 GLY HA2 . 18880 1 431 . 1 1 50 50 GLY HA3 H 1 3.87 0.02 . 2 . . . A 50 GLY HA3 . 18880 1 432 . 1 1 50 50 GLY C C 13 175.09 0.30 . 1 . . . A 50 GLY C . 18880 1 433 . 1 1 50 50 GLY CA C 13 46.68 0.30 . 1 . . . A 50 GLY CA . 18880 1 434 . 1 1 50 50 GLY N N 15 105.08 0.30 . 1 . . . A 50 GLY N . 18880 1 435 . 1 1 51 51 ILE H H 1 7.47 0.02 . 1 . . . A 51 ILE H . 18880 1 436 . 1 1 51 51 ILE HA H 1 3.83 0.02 . 1 . . . A 51 ILE HA . 18880 1 437 . 1 1 51 51 ILE HB H 1 1.75 0.02 . 1 . . . A 51 ILE HB . 18880 1 438 . 1 1 51 51 ILE HG12 H 1 1.04 0.02 . 1 . . . A 51 ILE HG12 . 18880 1 439 . 1 1 51 51 ILE HG13 H 1 1.55 0.02 . 1 . . . A 51 ILE HG13 . 18880 1 440 . 1 1 51 51 ILE HG21 H 1 0.69 0.02 . 1 . . . A 51 ILE HG21 . 18880 1 441 . 1 1 51 51 ILE HG22 H 1 0.69 0.02 . 1 . . . A 51 ILE HG22 . 18880 1 442 . 1 1 51 51 ILE HG23 H 1 0.69 0.02 . 1 . . . A 51 ILE HG23 . 18880 1 443 . 1 1 51 51 ILE HD11 H 1 0.64 0.02 . 1 . . . A 51 ILE HD11 . 18880 1 444 . 1 1 51 51 ILE HD12 H 1 0.64 0.02 . 1 . . . A 51 ILE HD12 . 18880 1 445 . 1 1 51 51 ILE HD13 H 1 0.64 0.02 . 1 . . . A 51 ILE HD13 . 18880 1 446 . 1 1 51 51 ILE C C 13 178.30 0.30 . 1 . . . A 51 ILE C . 18880 1 447 . 1 1 51 51 ILE CA C 13 63.84 0.30 . 1 . . . A 51 ILE CA . 18880 1 448 . 1 1 51 51 ILE CB C 13 38.31 0.30 . 1 . . . A 51 ILE CB . 18880 1 449 . 1 1 51 51 ILE CG1 C 13 28.56 0.30 . 1 . . . A 51 ILE CG1 . 18880 1 450 . 1 1 51 51 ILE CG2 C 13 17.62 0.30 . 1 . . . A 51 ILE CG2 . 18880 1 451 . 1 1 51 51 ILE CD1 C 13 13.80 0.30 . 1 . . . A 51 ILE CD1 . 18880 1 452 . 1 1 51 51 ILE N N 15 121.44 0.30 . 1 . . . A 51 ILE N . 18880 1 453 . 1 1 52 52 ILE H H 1 7.79 0.02 . 1 . . . A 52 ILE H . 18880 1 454 . 1 1 52 52 ILE HA H 1 3.74 0.02 . 1 . . . A 52 ILE HA . 18880 1 455 . 1 1 52 52 ILE HB H 1 1.79 0.02 . 1 . . . A 52 ILE HB . 18880 1 456 . 1 1 52 52 ILE HG12 H 1 0.92 0.02 . 1 . . . A 52 ILE HG12 . 18880 1 457 . 1 1 52 52 ILE HG13 H 1 1.27 0.02 . 1 . . . A 52 ILE HG13 . 18880 1 458 . 1 1 52 52 ILE HG21 H 1 0.71 0.02 . 1 . . . A 52 ILE HG21 . 18880 1 459 . 1 1 52 52 ILE HG22 H 1 0.71 0.02 . 1 . . . A 52 ILE HG22 . 18880 1 460 . 1 1 52 52 ILE HG23 H 1 0.71 0.02 . 1 . . . A 52 ILE HG23 . 18880 1 461 . 1 1 52 52 ILE HD11 H 1 0.55 0.02 . 1 . . . A 52 ILE HD11 . 18880 1 462 . 1 1 52 52 ILE HD12 H 1 0.55 0.02 . 1 . . . A 52 ILE HD12 . 18880 1 463 . 1 1 52 52 ILE HD13 H 1 0.55 0.02 . 1 . . . A 52 ILE HD13 . 18880 1 464 . 1 1 52 52 ILE CA C 13 63.76 0.30 . 1 . . . A 52 ILE CA . 18880 1 465 . 1 1 52 52 ILE CB C 13 38.03 0.30 . 1 . . . A 52 ILE CB . 18880 1 466 . 1 1 52 52 ILE CG1 C 13 27.80 0.30 . 1 . . . A 52 ILE CG1 . 18880 1 467 . 1 1 52 52 ILE CG2 C 13 18.38 0.30 . 1 . . . A 52 ILE CG2 . 18880 1 468 . 1 1 52 52 ILE CD1 C 13 13.29 0.30 . 1 . . . A 52 ILE CD1 . 18880 1 469 . 1 1 52 52 ILE N N 15 118.93 0.30 . 1 . . . A 52 ILE N . 18880 1 470 . 1 1 53 53 ARG H H 1 7.93 0.02 . 1 . . . A 53 ARG H . 18880 1 471 . 1 1 53 53 ARG HA H 1 4.09 0.02 . 1 . . . A 53 ARG HA . 18880 1 472 . 1 1 53 53 ARG HB2 H 1 1.86 0.02 . 2 . . . A 53 ARG HB2 . 18880 1 473 . 1 1 53 53 ARG HB3 H 1 1.86 0.02 . 2 . . . A 53 ARG HB3 . 18880 1 474 . 1 1 53 53 ARG HG2 H 1 1.56 0.02 . 2 . . . A 53 ARG HG2 . 18880 1 475 . 1 1 53 53 ARG HG3 H 1 1.77 0.02 . 2 . . . A 53 ARG HG3 . 18880 1 476 . 1 1 53 53 ARG HD2 H 1 3.16 0.02 . 2 . . . A 53 ARG HD2 . 18880 1 477 . 1 1 53 53 ARG HD3 H 1 3.16 0.02 . 2 . . . A 53 ARG HD3 . 18880 1 478 . 1 1 53 53 ARG C C 13 177.38 0.30 . 1 . . . A 53 ARG C . 18880 1 479 . 1 1 53 53 ARG CA C 13 60.11 0.30 . 1 . . . A 53 ARG CA . 18880 1 480 . 1 1 53 53 ARG CB C 13 29.58 0.30 . 1 . . . A 53 ARG CB . 18880 1 481 . 1 1 53 53 ARG CG C 13 27.32 0.30 . 1 . . . A 53 ARG CG . 18880 1 482 . 1 1 53 53 ARG CD C 13 43.57 0.30 . 1 . . . A 53 ARG CD . 18880 1 483 . 1 1 53 53 ARG N N 15 120.14 0.30 . 1 . . . A 53 ARG N . 18880 1 484 . 1 1 54 54 ASP H H 1 7.87 0.02 . 1 . . . A 54 ASP H . 18880 1 485 . 1 1 54 54 ASP HA H 1 4.60 0.02 . 1 . . . A 54 ASP HA . 18880 1 486 . 1 1 54 54 ASP HB2 H 1 2.64 0.02 . 2 . . . A 54 ASP HB2 . 18880 1 487 . 1 1 54 54 ASP HB3 H 1 2.73 0.02 . 2 . . . A 54 ASP HB3 . 18880 1 488 . 1 1 54 54 ASP C C 13 176.93 0.30 . 1 . . . A 54 ASP C . 18880 1 489 . 1 1 54 54 ASP CA C 13 55.54 0.30 . 1 . . . A 54 ASP CA . 18880 1 490 . 1 1 54 54 ASP CB C 13 41.10 0.30 . 1 . . . A 54 ASP CB . 18880 1 491 . 1 1 54 54 ASP N N 15 117.50 0.30 . 1 . . . A 54 ASP N . 18880 1 492 . 1 1 55 55 GLY H H 1 7.88 0.02 . 1 . . . A 55 GLY H . 18880 1 493 . 1 1 55 55 GLY HA2 H 1 3.82 0.02 . 2 . . . A 55 GLY HA2 . 18880 1 494 . 1 1 55 55 GLY HA3 H 1 4.11 0.02 . 2 . . . A 55 GLY HA3 . 18880 1 495 . 1 1 55 55 GLY C C 13 173.46 0.30 . 1 . . . A 55 GLY C . 18880 1 496 . 1 1 55 55 GLY CA C 13 46.00 0.30 . 1 . . . A 55 GLY CA . 18880 1 497 . 1 1 55 55 GLY N N 15 106.37 0.30 . 1 . . . A 55 GLY N . 18880 1 498 . 1 1 56 56 LEU H H 1 8.22 0.02 . 1 . . . A 56 LEU H . 18880 1 499 . 1 1 56 56 LEU HA H 1 4.77 0.02 . 1 . . . A 56 LEU HA . 18880 1 500 . 1 1 56 56 LEU HB2 H 1 1.43 0.02 . 2 . . . A 56 LEU HB2 . 18880 1 501 . 1 1 56 56 LEU HB3 H 1 1.60 0.02 . 2 . . . A 56 LEU HB3 . 18880 1 502 . 1 1 56 56 LEU HG H 1 1.54 0.02 . 1 . . . A 56 LEU HG . 18880 1 503 . 1 1 56 56 LEU HD11 H 1 0.82 0.02 . 2 . . . A 56 LEU HD11 . 18880 1 504 . 1 1 56 56 LEU HD12 H 1 0.82 0.02 . 2 . . . A 56 LEU HD12 . 18880 1 505 . 1 1 56 56 LEU HD13 H 1 0.82 0.02 . 2 . . . A 56 LEU HD13 . 18880 1 506 . 1 1 56 56 LEU HD21 H 1 0.84 0.02 . 2 . . . A 56 LEU HD21 . 18880 1 507 . 1 1 56 56 LEU HD22 H 1 0.84 0.02 . 2 . . . A 56 LEU HD22 . 18880 1 508 . 1 1 56 56 LEU HD23 H 1 0.84 0.02 . 2 . . . A 56 LEU HD23 . 18880 1 509 . 1 1 56 56 LEU CA C 13 52.49 0.30 . 1 . . . A 56 LEU CA . 18880 1 510 . 1 1 56 56 LEU CB C 13 43.12 0.30 . 1 . . . A 56 LEU CB . 18880 1 511 . 1 1 56 56 LEU CG C 13 28.16 0.30 . 1 . . . A 56 LEU CG . 18880 1 512 . 1 1 56 56 LEU CD1 C 13 26.01 0.30 . 1 . . . A 56 LEU CD1 . 18880 1 513 . 1 1 56 56 LEU CD2 C 13 26.01 0.30 . 1 . . . A 56 LEU CD2 . 18880 1 514 . 1 1 56 56 LEU N N 15 122.63 0.30 . 1 . . . A 56 LEU N . 18880 1 515 . 1 1 57 57 PRO HA H 1 4.58 0.02 . 1 . . . A 57 PRO HA . 18880 1 516 . 1 1 57 57 PRO HB2 H 1 2.01 0.02 . 2 . . . A 57 PRO HB2 . 18880 1 517 . 1 1 57 57 PRO HB3 H 1 2.11 0.02 . 2 . . . A 57 PRO HB3 . 18880 1 518 . 1 1 57 57 PRO HG2 H 1 1.96 0.02 . 2 . . . A 57 PRO HG2 . 18880 1 519 . 1 1 57 57 PRO HG3 H 1 2.02 0.02 . 2 . . . A 57 PRO HG3 . 18880 1 520 . 1 1 57 57 PRO HD2 H 1 3.53 0.02 . 2 . . . A 57 PRO HD2 . 18880 1 521 . 1 1 57 57 PRO HD3 H 1 3.71 0.02 . 2 . . . A 57 PRO HD3 . 18880 1 522 . 1 1 57 57 PRO C C 13 176.15 0.30 . 1 . . . A 57 PRO C . 18880 1 523 . 1 1 57 57 PRO CA C 13 62.42 0.30 . 1 . . . A 57 PRO CA . 18880 1 524 . 1 1 57 57 PRO CB C 13 30.74 0.30 . 1 . . . A 57 PRO CB . 18880 1 525 . 1 1 57 57 PRO CG C 13 27.34 0.30 . 1 . . . A 57 PRO CG . 18880 1 526 . 1 1 57 57 PRO CD C 13 50.17 0.30 . 1 . . . A 57 PRO CD . 18880 1 527 . 1 1 58 58 MET H H 1 7.69 0.02 . 1 . . . A 58 MET H . 18880 1 528 . 1 1 58 58 MET HA H 1 4.63 0.02 . 1 . . . A 58 MET HA . 18880 1 529 . 1 1 58 58 MET HB2 H 1 1.61 0.02 . 2 . . . A 58 MET HB2 . 18880 1 530 . 1 1 58 58 MET HB3 H 1 2.09 0.02 . 2 . . . A 58 MET HB3 . 18880 1 531 . 1 1 58 58 MET HG2 H 1 2.33 0.02 . 2 . . . A 58 MET HG2 . 18880 1 532 . 1 1 58 58 MET HG3 H 1 2.44 0.02 . 2 . . . A 58 MET HG3 . 18880 1 533 . 1 1 58 58 MET HE1 H 1 1.73 0.02 . 1 . . . A 58 MET HE1 . 18880 1 534 . 1 1 58 58 MET HE2 H 1 1.73 0.02 . 1 . . . A 58 MET HE2 . 18880 1 535 . 1 1 58 58 MET HE3 H 1 1.73 0.02 . 1 . . . A 58 MET HE3 . 18880 1 536 . 1 1 58 58 MET C C 13 176.15 0.30 . 1 . . . A 58 MET C . 18880 1 537 . 1 1 58 58 MET CA C 13 55.56 0.30 . 1 . . . A 58 MET CA . 18880 1 538 . 1 1 58 58 MET CB C 13 36.82 0.30 . 1 . . . A 58 MET CB . 18880 1 539 . 1 1 58 58 MET CG C 13 32.70 0.30 . 1 . . . A 58 MET CG . 18880 1 540 . 1 1 58 58 MET CE C 13 17.009 0.30 . 1 . . . A 58 MET CE . 18880 1 541 . 1 1 58 58 MET N N 15 121.81 0.30 . 1 . . . A 58 MET N . 18880 1 542 . 1 1 59 59 THR H H 1 8.94 0.02 . 1 . . . A 59 THR H . 18880 1 543 . 1 1 59 59 THR HA H 1 4.45 0.02 . 1 . . . A 59 THR HA . 18880 1 544 . 1 1 59 59 THR HB H 1 4.70 0.02 . 1 . . . A 59 THR HB . 18880 1 545 . 1 1 59 59 THR HG21 H 1 1.33 0.02 . 1 . . . A 59 THR HG21 . 18880 1 546 . 1 1 59 59 THR HG22 H 1 1.33 0.02 . 1 . . . A 59 THR HG22 . 18880 1 547 . 1 1 59 59 THR HG23 H 1 1.33 0.02 . 1 . . . A 59 THR HG23 . 18880 1 548 . 1 1 59 59 THR C C 13 175.17 0.30 . 1 . . . A 59 THR C . 18880 1 549 . 1 1 59 59 THR CA C 13 60.78 0.30 . 1 . . . A 59 THR CA . 18880 1 550 . 1 1 59 59 THR CB C 13 71.06 0.30 . 1 . . . A 59 THR CB . 18880 1 551 . 1 1 59 59 THR CG2 C 13 21.88 0.30 . 1 . . . A 59 THR CG2 . 18880 1 552 . 1 1 59 59 THR N N 15 114.18 0.30 . 1 . . . A 59 THR N . 18880 1 553 . 1 1 60 60 GLU H H 1 8.85 0.02 . 1 . . . A 60 GLU H . 18880 1 554 . 1 1 60 60 GLU HA H 1 4.01 0.02 . 1 . . . A 60 GLU HA . 18880 1 555 . 1 1 60 60 GLU HB2 H 1 2.05 0.02 . 2 . . . A 60 GLU HB2 . 18880 1 556 . 1 1 60 60 GLU HB3 H 1 2.05 0.02 . 2 . . . A 60 GLU HB3 . 18880 1 557 . 1 1 60 60 GLU HG2 H 1 2.35 0.02 . 2 . . . A 60 GLU HG2 . 18880 1 558 . 1 1 60 60 GLU HG3 H 1 2.35 0.02 . 2 . . . A 60 GLU HG3 . 18880 1 559 . 1 1 60 60 GLU C C 13 179.01 0.30 . 1 . . . A 60 GLU C . 18880 1 560 . 1 1 60 60 GLU CA C 13 59.82 0.30 . 1 . . . A 60 GLU CA . 18880 1 561 . 1 1 60 60 GLU CB C 13 29.05 0.30 . 1 . . . A 60 GLU CB . 18880 1 562 . 1 1 60 60 GLU CG C 13 36.09 0.30 . 1 . . . A 60 GLU CG . 18880 1 563 . 1 1 60 60 GLU N N 15 120.62 0.30 . 1 . . . A 60 GLU N . 18880 1 564 . 1 1 61 61 ALA H H 1 8.37 0.02 . 1 . . . A 61 ALA H . 18880 1 565 . 1 1 61 61 ALA HA H 1 4.14 0.02 . 1 . . . A 61 ALA HA . 18880 1 566 . 1 1 61 61 ALA HB1 H 1 1.41 0.02 . 1 . . . A 61 ALA HB1 . 18880 1 567 . 1 1 61 61 ALA HB2 H 1 1.41 0.02 . 1 . . . A 61 ALA HB2 . 18880 1 568 . 1 1 61 61 ALA HB3 H 1 1.41 0.02 . 1 . . . A 61 ALA HB3 . 18880 1 569 . 1 1 61 61 ALA C C 13 180.35 0.30 . 1 . . . A 61 ALA C . 18880 1 570 . 1 1 61 61 ALA CA C 13 55.09 0.30 . 1 . . . A 61 ALA CA . 18880 1 571 . 1 1 61 61 ALA CB C 13 18.21 0.30 . 1 . . . A 61 ALA CB . 18880 1 572 . 1 1 61 61 ALA N N 15 121.08 0.30 . 1 . . . A 61 ALA N . 18880 1 573 . 1 1 62 62 GLU H H 1 7.68 0.02 . 1 . . . A 62 GLU H . 18880 1 574 . 1 1 62 62 GLU HA H 1 4.00 0.02 . 1 . . . A 62 GLU HA . 18880 1 575 . 1 1 62 62 GLU HB2 H 1 1.91 0.02 . 2 . . . A 62 GLU HB2 . 18880 1 576 . 1 1 62 62 GLU HB3 H 1 2.35 0.02 . 2 . . . A 62 GLU HB3 . 18880 1 577 . 1 1 62 62 GLU HG2 H 1 2.28 0.02 . 2 . . . A 62 GLU HG2 . 18880 1 578 . 1 1 62 62 GLU HG3 H 1 2.31 0.02 . 2 . . . A 62 GLU HG3 . 18880 1 579 . 1 1 62 62 GLU C C 13 179.69 0.30 . 1 . . . A 62 GLU C . 18880 1 580 . 1 1 62 62 GLU CA C 13 58.99 0.30 . 1 . . . A 62 GLU CA . 18880 1 581 . 1 1 62 62 GLU CB C 13 30.31 0.30 . 1 . . . A 62 GLU CB . 18880 1 582 . 1 1 62 62 GLU CG C 13 37.59 0.30 . 1 . . . A 62 GLU CG . 18880 1 583 . 1 1 62 62 GLU N N 15 118.89 0.30 . 1 . . . A 62 GLU N . 18880 1 584 . 1 1 63 63 ILE H H 1 8.42 0.02 . 1 . . . A 63 ILE H . 18880 1 585 . 1 1 63 63 ILE HA H 1 3.57 0.02 . 1 . . . A 63 ILE HA . 18880 1 586 . 1 1 63 63 ILE HB H 1 1.98 0.02 . 1 . . . A 63 ILE HB . 18880 1 587 . 1 1 63 63 ILE HG12 H 1 0.86 0.02 . 1 . . . A 63 ILE HG12 . 18880 1 588 . 1 1 63 63 ILE HG13 H 1 1.75 0.02 . 1 . . . A 63 ILE HG13 . 18880 1 589 . 1 1 63 63 ILE HG21 H 1 0.86 0.02 . 1 . . . A 63 ILE HG21 . 18880 1 590 . 1 1 63 63 ILE HG22 H 1 0.86 0.02 . 1 . . . A 63 ILE HG22 . 18880 1 591 . 1 1 63 63 ILE HG23 H 1 0.86 0.02 . 1 . . . A 63 ILE HG23 . 18880 1 592 . 1 1 63 63 ILE HD11 H 1 0.79 0.02 . 1 . . . A 63 ILE HD11 . 18880 1 593 . 1 1 63 63 ILE HD12 H 1 0.79 0.02 . 1 . . . A 63 ILE HD12 . 18880 1 594 . 1 1 63 63 ILE HD13 H 1 0.79 0.02 . 1 . . . A 63 ILE HD13 . 18880 1 595 . 1 1 63 63 ILE C C 13 177.26 0.30 . 1 . . . A 63 ILE C . 18880 1 596 . 1 1 63 63 ILE CA C 13 65.89 0.30 . 1 . . . A 63 ILE CA . 18880 1 597 . 1 1 63 63 ILE CB C 13 37.98 0.30 . 1 . . . A 63 ILE CB . 18880 1 598 . 1 1 63 63 ILE CG1 C 13 29.66 0.30 . 1 . . . A 63 ILE CG1 . 18880 1 599 . 1 1 63 63 ILE CG2 C 13 18.13 0.30 . 1 . . . A 63 ILE CG2 . 18880 1 600 . 1 1 63 63 ILE CD1 C 13 14.06 0.30 . 1 . . . A 63 ILE CD1 . 18880 1 601 . 1 1 63 63 ILE N N 15 122.34 0.30 . 1 . . . A 63 ILE N . 18880 1 602 . 1 1 64 64 THR H H 1 8.31 0.02 . 1 . . . A 64 THR H . 18880 1 603 . 1 1 64 64 THR HA H 1 3.94 0.02 . 1 . . . A 64 THR HA . 18880 1 604 . 1 1 64 64 THR HB H 1 4.30 0.02 . 1 . . . A 64 THR HB . 18880 1 605 . 1 1 64 64 THR HG21 H 1 1.25 0.02 . 1 . . . A 64 THR HG21 . 18880 1 606 . 1 1 64 64 THR HG22 H 1 1.25 0.02 . 1 . . . A 64 THR HG22 . 18880 1 607 . 1 1 64 64 THR HG23 H 1 1.25 0.02 . 1 . . . A 64 THR HG23 . 18880 1 608 . 1 1 64 64 THR C C 13 176.52 0.30 . 1 . . . A 64 THR C . 18880 1 609 . 1 1 64 64 THR CA C 13 67.06 0.30 . 1 . . . A 64 THR CA . 18880 1 610 . 1 1 64 64 THR CB C 13 68.75 0.30 . 1 . . . A 64 THR CB . 18880 1 611 . 1 1 64 64 THR CG2 C 13 21.55 0.30 . 1 . . . A 64 THR CG2 . 18880 1 612 . 1 1 64 64 THR N N 15 116.97 0.30 . 1 . . . A 64 THR N . 18880 1 613 . 1 1 65 65 GLU H H 1 7.97 0.02 . 1 . . . A 65 GLU H . 18880 1 614 . 1 1 65 65 GLU HA H 1 4.03 0.02 . 1 . . . A 65 GLU HA . 18880 1 615 . 1 1 65 65 GLU HB2 H 1 2.05 0.02 . 2 . . . A 65 GLU HB2 . 18880 1 616 . 1 1 65 65 GLU HB3 H 1 2.09 0.02 . 2 . . . A 65 GLU HB3 . 18880 1 617 . 1 1 65 65 GLU HG2 H 1 2.23 0.02 . 2 . . . A 65 GLU HG2 . 18880 1 618 . 1 1 65 65 GLU HG3 H 1 2.42 0.02 . 2 . . . A 65 GLU HG3 . 18880 1 619 . 1 1 65 65 GLU C C 13 175.83 0.30 . 1 . . . A 65 GLU C . 18880 1 620 . 1 1 65 65 GLU CA C 13 59.50 0.30 . 1 . . . A 65 GLU CA . 18880 1 621 . 1 1 65 65 GLU CB C 13 29.77 0.30 . 1 . . . A 65 GLU CB . 18880 1 622 . 1 1 65 65 GLU CG C 13 36.42 0.30 . 1 . . . A 65 GLU CG . 18880 1 623 . 1 1 65 65 GLU N N 15 120.76 0.30 . 1 . . . A 65 GLU N . 18880 1 624 . 1 1 66 66 PHE H H 1 8.10 0.02 . 1 . . . A 66 PHE H . 18880 1 625 . 1 1 66 66 PHE HA H 1 4.24 0.02 . 1 . . . A 66 PHE HA . 18880 1 626 . 1 1 66 66 PHE HB2 H 1 3.06 0.02 . 2 . . . A 66 PHE HB2 . 18880 1 627 . 1 1 66 66 PHE HB3 H 1 3.11 0.02 . 2 . . . A 66 PHE HB3 . 18880 1 628 . 1 1 66 66 PHE HD1 H 1 6.69 0.02 . 3 . . . A 66 PHE HD1 . 18880 1 629 . 1 1 66 66 PHE HE1 H 1 6.90 0.02 . 3 . . . A 66 PHE HE1 . 18880 1 630 . 1 1 66 66 PHE C C 13 177.33 0.30 . 1 . . . A 66 PHE C . 18880 1 631 . 1 1 66 66 PHE CA C 13 61.20 0.30 . 1 . . . A 66 PHE CA . 18880 1 632 . 1 1 66 66 PHE CB C 13 38.53 0.30 . 1 . . . A 66 PHE CB . 18880 1 633 . 1 1 66 66 PHE CD1 C 13 131.84 0.30 . 3 . . . A 66 PHE CD1 . 18880 1 634 . 1 1 66 66 PHE N N 15 120.94 0.30 . 1 . . . A 66 PHE N . 18880 1 635 . 1 1 67 67 PHE H H 1 8.38 0.02 . 1 . . . A 67 PHE H . 18880 1 636 . 1 1 67 67 PHE HA H 1 3.95 0.02 . 1 . . . A 67 PHE HA . 18880 1 637 . 1 1 67 67 PHE HB2 H 1 3.13 0.02 . 2 . . . A 67 PHE HB2 . 18880 1 638 . 1 1 67 67 PHE HB3 H 1 3.23 0.02 . 2 . . . A 67 PHE HB3 . 18880 1 639 . 1 1 67 67 PHE HD1 H 1 7.18 0.02 . 3 . . . A 67 PHE HD1 . 18880 1 640 . 1 1 67 67 PHE HE1 H 1 7.07 0.02 . 3 . . . A 67 PHE HE1 . 18880 1 641 . 1 1 67 67 PHE C C 13 178.09 0.30 . 1 . . . A 67 PHE C . 18880 1 642 . 1 1 67 67 PHE CA C 13 61.20 0.30 . 1 . . . A 67 PHE CA . 18880 1 643 . 1 1 67 67 PHE CB C 13 38.25 0.30 . 1 . . . A 67 PHE CB . 18880 1 644 . 1 1 67 67 PHE CD1 C 13 131.41 0.30 . 3 . . . A 67 PHE CD1 . 18880 1 645 . 1 1 67 67 PHE N N 15 118.11 0.30 . 1 . . . A 67 PHE N . 18880 1 646 . 1 1 68 68 GLU H H 1 8.23 0.02 . 1 . . . A 68 GLU H . 18880 1 647 . 1 1 68 68 GLU HA H 1 4.01 0.02 . 1 . . . A 68 GLU HA . 18880 1 648 . 1 1 68 68 GLU HB2 H 1 1.97 0.02 . 2 . . . A 68 GLU HB2 . 18880 1 649 . 1 1 68 68 GLU HB3 H 1 2.10 0.02 . 2 . . . A 68 GLU HB3 . 18880 1 650 . 1 1 68 68 GLU HG2 H 1 2.24 0.02 . 2 . . . A 68 GLU HG2 . 18880 1 651 . 1 1 68 68 GLU HG3 H 1 2.53 0.02 . 2 . . . A 68 GLU HG3 . 18880 1 652 . 1 1 68 68 GLU C C 13 177.91 0.30 . 1 . . . A 68 GLU C . 18880 1 653 . 1 1 68 68 GLU CA C 13 59.24 0.30 . 1 . . . A 68 GLU CA . 18880 1 654 . 1 1 68 68 GLU CB C 13 29.37 0.30 . 1 . . . A 68 GLU CB . 18880 1 655 . 1 1 68 68 GLU CG C 13 36.92 0.30 . 1 . . . A 68 GLU CG . 18880 1 656 . 1 1 68 68 GLU N N 15 119.65 0.30 . 1 . . . A 68 GLU N . 18880 1 657 . 1 1 69 69 ALA H H 1 7.34 0.02 . 1 . . . A 69 ALA H . 18880 1 658 . 1 1 69 69 ALA HA H 1 4.18 0.02 . 1 . . . A 69 ALA HA . 18880 1 659 . 1 1 69 69 ALA HB1 H 1 1.39 0.02 . 1 . . . A 69 ALA HB1 . 18880 1 660 . 1 1 69 69 ALA HB2 H 1 1.39 0.02 . 1 . . . A 69 ALA HB2 . 18880 1 661 . 1 1 69 69 ALA HB3 H 1 1.39 0.02 . 1 . . . A 69 ALA HB3 . 18880 1 662 . 1 1 69 69 ALA C C 13 179.03 0.30 . 1 . . . A 69 ALA C . 18880 1 663 . 1 1 69 69 ALA CA C 13 53.60 0.30 . 1 . . . A 69 ALA CA . 18880 1 664 . 1 1 69 69 ALA CB C 13 18.78 0.30 . 1 . . . A 69 ALA CB . 18880 1 665 . 1 1 69 69 ALA N N 15 119.09 0.30 . 1 . . . A 69 ALA N . 18880 1 666 . 1 1 70 70 ALA H H 1 8.05 0.02 . 1 . . . A 70 ALA H . 18880 1 667 . 1 1 70 70 ALA HA H 1 4.02 0.02 . 1 . . . A 70 ALA HA . 18880 1 668 . 1 1 70 70 ALA HB1 H 1 0.80 0.02 . 1 . . . A 70 ALA HB1 . 18880 1 669 . 1 1 70 70 ALA HB2 H 1 0.80 0.02 . 1 . . . A 70 ALA HB2 . 18880 1 670 . 1 1 70 70 ALA HB3 H 1 0.80 0.02 . 1 . . . A 70 ALA HB3 . 18880 1 671 . 1 1 70 70 ALA C C 13 176.82 0.30 . 1 . . . A 70 ALA C . 18880 1 672 . 1 1 70 70 ALA CA C 13 53.09 0.30 . 1 . . . A 70 ALA CA . 18880 1 673 . 1 1 70 70 ALA CB C 13 19.61 0.30 . 1 . . . A 70 ALA CB . 18880 1 674 . 1 1 70 70 ALA N N 15 118.67 0.30 . 1 . . . A 70 ALA N . 18880 1 675 . 1 1 71 71 ASP H H 1 8.01 0.02 . 1 . . . A 71 ASP H . 18880 1 676 . 1 1 71 71 ASP HA H 1 5.22 0.02 . 1 . . . A 71 ASP HA . 18880 1 677 . 1 1 71 71 ASP HB2 H 1 2.26 0.02 . 2 . . . A 71 ASP HB2 . 18880 1 678 . 1 1 71 71 ASP HB3 H 1 2.76 0.02 . 2 . . . A 71 ASP HB3 . 18880 1 679 . 1 1 71 71 ASP CA C 13 52.15 0.30 . 1 . . . A 71 ASP CA . 18880 1 680 . 1 1 71 71 ASP CB C 13 40.91 0.30 . 1 . . . A 71 ASP CB . 18880 1 681 . 1 1 71 71 ASP N N 15 116.78 0.30 . 1 . . . A 71 ASP N . 18880 1 682 . 1 1 72 72 PRO HA H 1 4.47 0.02 . 1 . . . A 72 PRO HA . 18880 1 683 . 1 1 72 72 PRO HB2 H 1 1.92 0.02 . 2 . . . A 72 PRO HB2 . 18880 1 684 . 1 1 72 72 PRO HB3 H 1 2.37 0.02 . 2 . . . A 72 PRO HB3 . 18880 1 685 . 1 1 72 72 PRO HG2 H 1 1.87 0.02 . 2 . . . A 72 PRO HG2 . 18880 1 686 . 1 1 72 72 PRO HG3 H 1 2.04 0.02 . 2 . . . A 72 PRO HG3 . 18880 1 687 . 1 1 72 72 PRO HD2 H 1 3.34 0.02 . 2 . . . A 72 PRO HD2 . 18880 1 688 . 1 1 72 72 PRO HD3 H 1 3.71 0.02 . 2 . . . A 72 PRO HD3 . 18880 1 689 . 1 1 72 72 PRO C C 13 177.97 0.30 . 1 . . . A 72 PRO C . 18880 1 690 . 1 1 72 72 PRO CA C 13 64.91 0.30 . 1 . . . A 72 PRO CA . 18880 1 691 . 1 1 72 72 PRO CB C 13 31.88 0.30 . 1 . . . A 72 PRO CB . 18880 1 692 . 1 1 72 72 PRO CG C 13 27.54 0.30 . 1 . . . A 72 PRO CG . 18880 1 693 . 1 1 72 72 PRO CD C 13 50.69 0.30 . 1 . . . A 72 PRO CD . 18880 1 694 . 1 1 73 73 ASN H H 1 9.03 0.02 . 1 . . . A 73 ASN H . 18880 1 695 . 1 1 73 73 ASN HA H 1 4.88 0.02 . 1 . . . A 73 ASN HA . 18880 1 696 . 1 1 73 73 ASN HB2 H 1 2.75 0.02 . 2 . . . A 73 ASN HB2 . 18880 1 697 . 1 1 73 73 ASN HB3 H 1 2.94 0.02 . 2 . . . A 73 ASN HB3 . 18880 1 698 . 1 1 73 73 ASN HD21 H 1 7.00 0.02 . 2 . . . A 73 ASN HD21 . 18880 1 699 . 1 1 73 73 ASN HD22 H 1 7.50 0.02 . 2 . . . A 73 ASN HD22 . 18880 1 700 . 1 1 73 73 ASN C C 13 174.88 0.30 . 1 . . . A 73 ASN C . 18880 1 701 . 1 1 73 73 ASN CA C 13 52.84 0.30 . 1 . . . A 73 ASN CA . 18880 1 702 . 1 1 73 73 ASN CB C 13 38.38 0.30 . 1 . . . A 73 ASN CB . 18880 1 703 . 1 1 73 73 ASN N N 15 114.93 0.30 . 1 . . . A 73 ASN N . 18880 1 704 . 1 1 73 73 ASN ND2 N 15 113.77 0.30 . 1 . . . A 73 ASN ND2 . 18880 1 705 . 1 1 74 74 ASN H H 1 8.32 0.02 . 1 . . . A 74 ASN H . 18880 1 706 . 1 1 74 74 ASN HA H 1 4.36 0.02 . 1 . . . A 74 ASN HA . 18880 1 707 . 1 1 74 74 ASN HB2 H 1 2.67 0.02 . 2 . . . A 74 ASN HB2 . 18880 1 708 . 1 1 74 74 ASN HB3 H 1 2.98 0.02 . 2 . . . A 74 ASN HB3 . 18880 1 709 . 1 1 74 74 ASN HD21 H 1 6.79 0.02 . 2 . . . A 74 ASN HD21 . 18880 1 710 . 1 1 74 74 ASN HD22 H 1 7.53 0.02 . 2 . . . A 74 ASN HD22 . 18880 1 711 . 1 1 74 74 ASN CA C 13 54.59 0.30 . 1 . . . A 74 ASN CA . 18880 1 712 . 1 1 74 74 ASN CB C 13 37.16 0.30 . 1 . . . A 74 ASN CB . 18880 1 713 . 1 1 74 74 ASN N N 15 118.34 0.30 . 1 . . . A 74 ASN N . 18880 1 714 . 1 1 74 74 ASN ND2 N 15 112.53 0.30 . 1 . . . A 74 ASN ND2 . 18880 1 715 . 1 1 75 75 THR H H 1 9.87 0.02 . 1 . . . A 75 THR H . 18880 1 716 . 1 1 75 75 THR HA H 1 4.21 0.02 . 1 . . . A 75 THR HA . 18880 1 717 . 1 1 75 75 THR HB H 1 4.31 0.02 . 1 . . . A 75 THR HB . 18880 1 718 . 1 1 75 75 THR HG21 H 1 1.30 0.02 . 1 . . . A 75 THR HG21 . 18880 1 719 . 1 1 75 75 THR HG22 H 1 1.30 0.02 . 1 . . . A 75 THR HG22 . 18880 1 720 . 1 1 75 75 THR HG23 H 1 1.30 0.02 . 1 . . . A 75 THR HG23 . 18880 1 721 . 1 1 75 75 THR CA C 13 63.41 0.30 . 1 . . . A 75 THR CA . 18880 1 722 . 1 1 75 75 THR CB C 13 70.54 0.30 . 1 . . . A 75 THR CB . 18880 1 723 . 1 1 75 75 THR CG2 C 13 22.45 0.30 . 1 . . . A 75 THR CG2 . 18880 1 724 . 1 1 75 75 THR N N 15 113.45 0.30 . 1 . . . A 75 THR N . 18880 1 725 . 1 1 76 76 GLY H H 1 10.25 0.02 . 1 . . . A 76 GLY H . 18880 1 726 . 1 1 76 76 GLY HA2 H 1 3.37 0.02 . 2 . . . A 76 GLY HA2 . 18880 1 727 . 1 1 76 76 GLY HA3 H 1 4.04 0.02 . 2 . . . A 76 GLY HA3 . 18880 1 728 . 1 1 76 76 GLY C C 13 173.67 0.30 . 1 . . . A 76 GLY C . 18880 1 729 . 1 1 76 76 GLY CA C 13 45.12 0.30 . 1 . . . A 76 GLY CA . 18880 1 730 . 1 1 76 76 GLY N N 15 111.81 0.30 . 1 . . . A 76 GLY N . 18880 1 731 . 1 1 77 77 PHE H H 1 8.11 0.02 . 1 . . . A 77 PHE H . 18880 1 732 . 1 1 77 77 PHE HA H 1 5.15 0.02 . 1 . . . A 77 PHE HA . 18880 1 733 . 1 1 77 77 PHE HB2 H 1 2.63 0.02 . 2 . . . A 77 PHE HB2 . 18880 1 734 . 1 1 77 77 PHE HB3 H 1 2.85 0.02 . 2 . . . A 77 PHE HB3 . 18880 1 735 . 1 1 77 77 PHE HD1 H 1 6.89 0.02 . 3 . . . A 77 PHE HD1 . 18880 1 736 . 1 1 77 77 PHE HE1 H 1 7.02 0.02 . 3 . . . A 77 PHE HE1 . 18880 1 737 . 1 1 77 77 PHE CA C 13 57.18 0.30 . 1 . . . A 77 PHE CA . 18880 1 738 . 1 1 77 77 PHE CB C 13 43.50 0.30 . 1 . . . A 77 PHE CB . 18880 1 739 . 1 1 77 77 PHE CD1 C 13 131.98 0.30 . 3 . . . A 77 PHE CD1 . 18880 1 740 . 1 1 77 77 PHE N N 15 120.56 0.30 . 1 . . . A 77 PHE N . 18880 1 741 . 1 1 78 78 ILE H H 1 8.93 0.02 . 1 . . . A 78 ILE H . 18880 1 742 . 1 1 78 78 ILE HA H 1 4.39 0.02 . 1 . . . A 78 ILE HA . 18880 1 743 . 1 1 78 78 ILE HB H 1 1.68 0.02 . 1 . . . A 78 ILE HB . 18880 1 744 . 1 1 78 78 ILE HG12 H 1 0.86 0.02 . 1 . . . A 78 ILE HG12 . 18880 1 745 . 1 1 78 78 ILE HG13 H 1 1.26 0.02 . 1 . . . A 78 ILE HG13 . 18880 1 746 . 1 1 78 78 ILE HG21 H 1 0.61 0.02 . 1 . . . A 78 ILE HG21 . 18880 1 747 . 1 1 78 78 ILE HG22 H 1 0.61 0.02 . 1 . . . A 78 ILE HG22 . 18880 1 748 . 1 1 78 78 ILE HG23 H 1 0.61 0.02 . 1 . . . A 78 ILE HG23 . 18880 1 749 . 1 1 78 78 ILE HD11 H 1 0.48 0.02 . 1 . . . A 78 ILE HD11 . 18880 1 750 . 1 1 78 78 ILE HD12 H 1 0.48 0.02 . 1 . . . A 78 ILE HD12 . 18880 1 751 . 1 1 78 78 ILE HD13 H 1 0.48 0.02 . 1 . . . A 78 ILE HD13 . 18880 1 752 . 1 1 78 78 ILE C C 13 174.77 0.30 . 1 . . . A 78 ILE C . 18880 1 753 . 1 1 78 78 ILE CA C 13 59.19 0.30 . 1 . . . A 78 ILE CA . 18880 1 754 . 1 1 78 78 ILE CB C 13 41.18 0.30 . 1 . . . A 78 ILE CB . 18880 1 755 . 1 1 78 78 ILE CG1 C 13 26.78 0.30 . 1 . . . A 78 ILE CG1 . 18880 1 756 . 1 1 78 78 ILE CG2 C 13 18.18 0.30 . 1 . . . A 78 ILE CG2 . 18880 1 757 . 1 1 78 78 ILE CD1 C 13 13.80 0.30 . 1 . . . A 78 ILE CD1 . 18880 1 758 . 1 1 78 78 ILE N N 15 116.41 0.30 . 1 . . . A 78 ILE N . 18880 1 759 . 1 1 79 79 ASP H H 1 8.61 0.02 . 1 . . . A 79 ASP H . 18880 1 760 . 1 1 79 79 ASP HA H 1 4.50 0.02 . 1 . . . A 79 ASP HA . 18880 1 761 . 1 1 79 79 ASP HB2 H 1 2.58 0.02 . 2 . . . A 79 ASP HB2 . 18880 1 762 . 1 1 79 79 ASP HB3 H 1 2.79 0.02 . 2 . . . A 79 ASP HB3 . 18880 1 763 . 1 1 79 79 ASP C C 13 176.49 0.30 . 1 . . . A 79 ASP C . 18880 1 764 . 1 1 79 79 ASP CA C 13 53.31 0.30 . 1 . . . A 79 ASP CA . 18880 1 765 . 1 1 79 79 ASP CB C 13 41.37 0.30 . 1 . . . A 79 ASP CB . 18880 1 766 . 1 1 79 79 ASP N N 15 125.22 0.30 . 1 . . . A 79 ASP N . 18880 1 767 . 1 1 80 80 TYR H H 1 8.46 0.02 . 1 . . . A 80 TYR H . 18880 1 768 . 1 1 80 80 TYR HA H 1 3.99 0.02 . 1 . . . A 80 TYR HA . 18880 1 769 . 1 1 80 80 TYR HB2 H 1 2.92 0.02 . 2 . . . A 80 TYR HB2 . 18880 1 770 . 1 1 80 80 TYR HB3 H 1 2.92 0.02 . 2 . . . A 80 TYR HB3 . 18880 1 771 . 1 1 80 80 TYR HD1 H 1 6.86 0.02 . 3 . . . A 80 TYR HD1 . 18880 1 772 . 1 1 80 80 TYR HE1 H 1 6.71 0.02 . 3 . . . A 80 TYR HE1 . 18880 1 773 . 1 1 80 80 TYR C C 13 177.14 0.30 . 1 . . . A 80 TYR C . 18880 1 774 . 1 1 80 80 TYR CA C 13 61.58 0.30 . 1 . . . A 80 TYR CA . 18880 1 775 . 1 1 80 80 TYR CB C 13 38.89 0.30 . 1 . . . A 80 TYR CB . 18880 1 776 . 1 1 80 80 TYR CD1 C 13 132.96 0.30 . 3 . . . A 80 TYR CD1 . 18880 1 777 . 1 1 80 80 TYR CE1 C 13 127.12 0.30 . 3 . . . A 80 TYR CE1 . 18880 1 778 . 1 1 80 80 TYR N N 15 125.76 0.30 . 1 . . . A 80 TYR N . 18880 1 779 . 1 1 81 81 LYS H H 1 8.41 0.02 . 1 . . . A 81 LYS H . 18880 1 780 . 1 1 81 81 LYS HA H 1 3.90 0.02 . 1 . . . A 81 LYS HA . 18880 1 781 . 1 1 81 81 LYS HB2 H 1 1.81 0.02 . 2 . . . A 81 LYS HB2 . 18880 1 782 . 1 1 81 81 LYS HB3 H 1 1.89 0.02 . 2 . . . A 81 LYS HB3 . 18880 1 783 . 1 1 81 81 LYS HG2 H 1 1.39 0.02 . 2 . . . A 81 LYS HG2 . 18880 1 784 . 1 1 81 81 LYS HG3 H 1 1.49 0.02 . 2 . . . A 81 LYS HG3 . 18880 1 785 . 1 1 81 81 LYS HD2 H 1 1.71 0.02 . 2 . . . A 81 LYS HD2 . 18880 1 786 . 1 1 81 81 LYS HD3 H 1 1.71 0.02 . 2 . . . A 81 LYS HD3 . 18880 1 787 . 1 1 81 81 LYS HE2 H 1 3.00 0.02 . 2 . . . A 81 LYS HE2 . 18880 1 788 . 1 1 81 81 LYS HE3 H 1 3.00 0.02 . 2 . . . A 81 LYS HE3 . 18880 1 789 . 1 1 81 81 LYS C C 13 179.09 0.30 . 1 . . . A 81 LYS C . 18880 1 790 . 1 1 81 81 LYS CA C 13 59.58 0.30 . 1 . . . A 81 LYS CA . 18880 1 791 . 1 1 81 81 LYS CB C 13 31.76 0.30 . 1 . . . A 81 LYS CB . 18880 1 792 . 1 1 81 81 LYS CG C 13 25.27 0.30 . 1 . . . A 81 LYS CG . 18880 1 793 . 1 1 81 81 LYS CD C 13 29.18 0.30 . 1 . . . A 81 LYS CD . 18880 1 794 . 1 1 81 81 LYS CE C 13 41.79 0.30 . 1 . . . A 81 LYS CE . 18880 1 795 . 1 1 81 81 LYS N N 15 118.32 0.30 . 1 . . . A 81 LYS N . 18880 1 796 . 1 1 82 82 ALA H H 1 7.77 0.02 . 1 . . . A 82 ALA H . 18880 1 797 . 1 1 82 82 ALA HA H 1 4.13 0.02 . 1 . . . A 82 ALA HA . 18880 1 798 . 1 1 82 82 ALA HB1 H 1 1.46 0.02 . 1 . . . A 82 ALA HB1 . 18880 1 799 . 1 1 82 82 ALA HB2 H 1 1.46 0.02 . 1 . . . A 82 ALA HB2 . 18880 1 800 . 1 1 82 82 ALA HB3 H 1 1.46 0.02 . 1 . . . A 82 ALA HB3 . 18880 1 801 . 1 1 82 82 ALA C C 13 179.74 0.30 . 1 . . . A 82 ALA C . 18880 1 802 . 1 1 82 82 ALA CA C 13 54.52 0.30 . 1 . . . A 82 ALA CA . 18880 1 803 . 1 1 82 82 ALA CB C 13 18.54 0.30 . 1 . . . A 82 ALA CB . 18880 1 804 . 1 1 82 82 ALA N N 15 122.05 0.30 . 1 . . . A 82 ALA N . 18880 1 805 . 1 1 83 83 PHE H H 1 7.78 0.02 . 1 . . . A 83 PHE H . 18880 1 806 . 1 1 83 83 PHE HA H 1 4.29 0.02 . 1 . . . A 83 PHE HA . 18880 1 807 . 1 1 83 83 PHE HB2 H 1 2.91 0.02 . 2 . . . A 83 PHE HB2 . 18880 1 808 . 1 1 83 83 PHE HB3 H 1 3.04 0.02 . 2 . . . A 83 PHE HB3 . 18880 1 809 . 1 1 83 83 PHE HD1 H 1 6.93 0.02 . 3 . . . A 83 PHE HD1 . 18880 1 810 . 1 1 83 83 PHE HE1 H 1 6.76 0.02 . 3 . . . A 83 PHE HE1 . 18880 1 811 . 1 1 83 83 PHE C C 13 176.46 0.30 . 1 . . . A 83 PHE C . 18880 1 812 . 1 1 83 83 PHE CA C 13 60.03 0.30 . 1 . . . A 83 PHE CA . 18880 1 813 . 1 1 83 83 PHE CB C 13 39.52 0.30 . 1 . . . A 83 PHE CB . 18880 1 814 . 1 1 83 83 PHE CD1 C 13 131.77 0.30 . 3 . . . A 83 PHE CD1 . 18880 1 815 . 1 1 83 83 PHE N N 15 117.81 0.30 . 1 . . . A 83 PHE N . 18880 1 816 . 1 1 84 84 ALA H H 1 8.29 0.02 . 1 . . . A 84 ALA H . 18880 1 817 . 1 1 84 84 ALA HA H 1 3.66 0.02 . 1 . . . A 84 ALA HA . 18880 1 818 . 1 1 84 84 ALA HB1 H 1 1.29 0.02 . 1 . . . A 84 ALA HB1 . 18880 1 819 . 1 1 84 84 ALA HB2 H 1 1.29 0.02 . 1 . . . A 84 ALA HB2 . 18880 1 820 . 1 1 84 84 ALA HB3 H 1 1.29 0.02 . 1 . . . A 84 ALA HB3 . 18880 1 821 . 1 1 84 84 ALA C C 13 179.01 0.30 . 1 . . . A 84 ALA C . 18880 1 822 . 1 1 84 84 ALA CA C 13 55.03 0.30 . 1 . . . A 84 ALA CA . 18880 1 823 . 1 1 84 84 ALA CB C 13 18.13 0.30 . 1 . . . A 84 ALA CB . 18880 1 824 . 1 1 84 84 ALA N N 15 121.53 0.30 . 1 . . . A 84 ALA N . 18880 1 825 . 1 1 85 85 ALA H H 1 7.70 0.02 . 1 . . . A 85 ALA H . 18880 1 826 . 1 1 85 85 ALA HA H 1 4.08 0.02 . 1 . . . A 85 ALA HA . 18880 1 827 . 1 1 85 85 ALA HB1 H 1 1.42 0.02 . 1 . . . A 85 ALA HB1 . 18880 1 828 . 1 1 85 85 ALA HB2 H 1 1.42 0.02 . 1 . . . A 85 ALA HB2 . 18880 1 829 . 1 1 85 85 ALA HB3 H 1 1.42 0.02 . 1 . . . A 85 ALA HB3 . 18880 1 830 . 1 1 85 85 ALA C C 13 179.57 0.30 . 1 . . . A 85 ALA C . 18880 1 831 . 1 1 85 85 ALA CA C 13 54.37 0.30 . 1 . . . A 85 ALA CA . 18880 1 832 . 1 1 85 85 ALA CB C 13 18.29 0.30 . 1 . . . A 85 ALA CB . 18880 1 833 . 1 1 85 85 ALA N N 15 117.72 0.30 . 1 . . . A 85 ALA N . 18880 1 834 . 1 1 86 86 MET H H 1 7.56 0.02 . 1 . . . A 86 MET H . 18880 1 835 . 1 1 86 86 MET HA H 1 4.16 0.02 . 1 . . . A 86 MET HA . 18880 1 836 . 1 1 86 86 MET HB2 H 1 2.01 0.02 . 2 . . . A 86 MET HB2 . 18880 1 837 . 1 1 86 86 MET HB3 H 1 2.04 0.02 . 2 . . . A 86 MET HB3 . 18880 1 838 . 1 1 86 86 MET HG2 H 1 2.38 0.02 . 2 . . . A 86 MET HG2 . 18880 1 839 . 1 1 86 86 MET HG3 H 1 2.43 0.02 . 2 . . . A 86 MET HG3 . 18880 1 840 . 1 1 86 86 MET HE1 H 1 1.71 0.02 . 1 . . . A 86 MET HE1 . 18880 1 841 . 1 1 86 86 MET HE2 H 1 1.71 0.02 . 1 . . . A 86 MET HE2 . 18880 1 842 . 1 1 86 86 MET HE3 H 1 1.71 0.02 . 1 . . . A 86 MET HE3 . 18880 1 843 . 1 1 86 86 MET C C 13 177.36 0.30 . 1 . . . A 86 MET C . 18880 1 844 . 1 1 86 86 MET CA C 13 57.38 0.30 . 1 . . . A 86 MET CA . 18880 1 845 . 1 1 86 86 MET CB C 13 32.72 0.30 . 1 . . . A 86 MET CB . 18880 1 846 . 1 1 86 86 MET CG C 13 31.87 0.30 . 1 . . . A 86 MET CG . 18880 1 847 . 1 1 86 86 MET CE C 13 21.165 0.30 . 1 . . . A 86 MET CE . 18880 1 848 . 1 1 86 86 MET N N 15 116.57 0.30 . 1 . . . A 86 MET N . 18880 1 849 . 1 1 87 87 LEU H H 1 7.57 0.02 . 1 . . . A 87 LEU H . 18880 1 850 . 1 1 87 87 LEU HA H 1 3.97 0.02 . 1 . . . A 87 LEU HA . 18880 1 851 . 1 1 87 87 LEU HB2 H 1 1.08 0.02 . 2 . . . A 87 LEU HB2 . 18880 1 852 . 1 1 87 87 LEU HB3 H 1 1.29 0.02 . 2 . . . A 87 LEU HB3 . 18880 1 853 . 1 1 87 87 LEU HG H 1 1.23 0.02 . 1 . . . A 87 LEU HG . 18880 1 854 . 1 1 87 87 LEU HD11 H 1 0.51 0.02 . 2 . . . A 87 LEU HD11 . 18880 1 855 . 1 1 87 87 LEU HD12 H 1 0.51 0.02 . 2 . . . A 87 LEU HD12 . 18880 1 856 . 1 1 87 87 LEU HD13 H 1 0.51 0.02 . 2 . . . A 87 LEU HD13 . 18880 1 857 . 1 1 87 87 LEU HD21 H 1 0.53 0.02 . 2 . . . A 87 LEU HD21 . 18880 1 858 . 1 1 87 87 LEU HD22 H 1 0.53 0.02 . 2 . . . A 87 LEU HD22 . 18880 1 859 . 1 1 87 87 LEU HD23 H 1 0.53 0.02 . 2 . . . A 87 LEU HD23 . 18880 1 860 . 1 1 87 87 LEU C C 13 177.42 0.30 . 1 . . . A 87 LEU C . 18880 1 861 . 1 1 87 87 LEU CA C 13 56.29 0.30 . 1 . . . A 87 LEU CA . 18880 1 862 . 1 1 87 87 LEU CB C 13 42.28 0.30 . 1 . . . A 87 LEU CB . 18880 1 863 . 1 1 87 87 LEU CG C 13 26.78 0.30 . 1 . . . A 87 LEU CG . 18880 1 864 . 1 1 87 87 LEU CD1 C 13 23.47 0.30 . 1 . . . A 87 LEU CD1 . 18880 1 865 . 1 1 87 87 LEU CD2 C 13 25.25 0.30 . 1 . . . A 87 LEU CD2 . 18880 1 866 . 1 1 87 87 LEU N N 15 119.09 0.30 . 1 . . . A 87 LEU N . 18880 1 867 . 1 1 88 88 TYR H H 1 7.74 0.02 . 1 . . . A 88 TYR H . 18880 1 868 . 1 1 88 88 TYR HA H 1 4.59 0.02 . 1 . . . A 88 TYR HA . 18880 1 869 . 1 1 88 88 TYR HB2 H 1 2.84 0.02 . 2 . . . A 88 TYR HB2 . 18880 1 870 . 1 1 88 88 TYR HB3 H 1 3.09 0.02 . 2 . . . A 88 TYR HB3 . 18880 1 871 . 1 1 88 88 TYR HD1 H 1 7.09 0.02 . 3 . . . A 88 TYR HD1 . 18880 1 872 . 1 1 88 88 TYR HE1 H 1 6.76 0.02 . 3 . . . A 88 TYR HE1 . 18880 1 873 . 1 1 88 88 TYR C C 13 175.87 0.30 . 1 . . . A 88 TYR C . 18880 1 874 . 1 1 88 88 TYR CA C 13 57.84 0.30 . 1 . . . A 88 TYR CA . 18880 1 875 . 1 1 88 88 TYR CB C 13 38.64 0.30 . 1 . . . A 88 TYR CB . 18880 1 876 . 1 1 88 88 TYR CD1 C 13 133.17 0.30 . 3 . . . A 88 TYR CD1 . 18880 1 877 . 1 1 88 88 TYR N N 15 117.06 0.30 . 1 . . . A 88 TYR N . 18880 1 878 . 1 1 89 89 SER H H 1 7.88 0.02 . 1 . . . A 89 SER H . 18880 1 879 . 1 1 89 89 SER HA H 1 4.44 0.02 . 1 . . . A 89 SER HA . 18880 1 880 . 1 1 89 89 SER HB2 H 1 3.88 0.02 . 2 . . . A 89 SER HB2 . 18880 1 881 . 1 1 89 89 SER HB3 H 1 3.88 0.02 . 2 . . . A 89 SER HB3 . 18880 1 882 . 1 1 89 89 SER C C 13 174.46 0.30 . 1 . . . A 89 SER C . 18880 1 883 . 1 1 89 89 SER CA C 13 58.35 0.30 . 1 . . . A 89 SER CA . 18880 1 884 . 1 1 89 89 SER CB C 13 63.99 0.30 . 1 . . . A 89 SER CB . 18880 1 885 . 1 1 89 89 SER N N 15 115.98 0.30 . 1 . . . A 89 SER N . 18880 1 886 . 1 1 90 90 VAL H H 1 8.02 0.02 . 1 . . . A 90 VAL H . 18880 1 887 . 1 1 90 90 VAL HA H 1 4.14 0.02 . 1 . . . A 90 VAL HA . 18880 1 888 . 1 1 90 90 VAL HB H 1 2.08 0.02 . 1 . . . A 90 VAL HB . 18880 1 889 . 1 1 90 90 VAL HG11 H 1 0.90 0.02 . 2 . . . A 90 VAL HG11 . 18880 1 890 . 1 1 90 90 VAL HG12 H 1 0.90 0.02 . 2 . . . A 90 VAL HG12 . 18880 1 891 . 1 1 90 90 VAL HG13 H 1 0.90 0.02 . 2 . . . A 90 VAL HG13 . 18880 1 892 . 1 1 90 90 VAL HG21 H 1 0.90 0.02 . 2 . . . A 90 VAL HG21 . 18880 1 893 . 1 1 90 90 VAL HG22 H 1 0.90 0.02 . 2 . . . A 90 VAL HG22 . 18880 1 894 . 1 1 90 90 VAL HG23 H 1 0.90 0.02 . 2 . . . A 90 VAL HG23 . 18880 1 895 . 1 1 90 90 VAL C C 13 175.72 0.30 . 1 . . . A 90 VAL C . 18880 1 896 . 1 1 90 90 VAL CA C 13 62.27 0.30 . 1 . . . A 90 VAL CA . 18880 1 897 . 1 1 90 90 VAL CB C 13 32.84 0.30 . 1 . . . A 90 VAL CB . 18880 1 898 . 1 1 90 90 VAL CG1 C 13 20.93 0.30 . 1 . . . A 90 VAL CG1 . 18880 1 899 . 1 1 90 90 VAL CG2 C 13 20.93 0.30 . 1 . . . A 90 VAL CG2 . 18880 1 900 . 1 1 90 90 VAL N N 15 120.91 0.30 . 1 . . . A 90 VAL N . 18880 1 901 . 1 1 91 91 ASP H H 1 8.31 0.02 . 1 . . . A 91 ASP H . 18880 1 902 . 1 1 91 91 ASP HA H 1 4.63 0.02 . 1 . . . A 91 ASP HA . 18880 1 903 . 1 1 91 91 ASP HB2 H 1 2.58 0.02 . 2 . . . A 91 ASP HB2 . 18880 1 904 . 1 1 91 91 ASP HB3 H 1 2.71 0.02 . 2 . . . A 91 ASP HB3 . 18880 1 905 . 1 1 91 91 ASP C C 13 176.00 0.30 . 1 . . . A 91 ASP C . 18880 1 906 . 1 1 91 91 ASP CA C 13 54.51 0.30 . 1 . . . A 91 ASP CA . 18880 1 907 . 1 1 91 91 ASP CB C 13 41.44 0.30 . 1 . . . A 91 ASP CB . 18880 1 908 . 1 1 91 91 ASP N N 15 123.62 0.30 . 1 . . . A 91 ASP N . 18880 1 909 . 1 1 92 92 GLU H H 1 8.32 0.02 . 1 . . . A 92 GLU H . 18880 1 910 . 1 1 92 92 GLU HA H 1 4.36 0.02 . 1 . . . A 92 GLU HA . 18880 1 911 . 1 1 92 92 GLU HB2 H 1 2.11 0.02 . 2 . . . A 92 GLU HB2 . 18880 1 912 . 1 1 92 92 GLU HB3 H 1 2.11 0.02 . 2 . . . A 92 GLU HB3 . 18880 1 913 . 1 1 92 92 GLU HG2 H 1 2.26 0.02 . 2 . . . A 92 GLU HG2 . 18880 1 914 . 1 1 92 92 GLU HG3 H 1 2.26 0.02 . 2 . . . A 92 GLU HG3 . 18880 1 915 . 1 1 92 92 GLU C C 13 175.66 0.30 . 1 . . . A 92 GLU C . 18880 1 916 . 1 1 92 92 GLU CA C 13 56.49 0.30 . 1 . . . A 92 GLU CA . 18880 1 917 . 1 1 92 92 GLU CB C 13 32.85 0.30 . 1 . . . A 92 GLU CB . 18880 1 918 . 1 1 92 92 GLU CG C 13 36.30 0.30 . 1 . . . A 92 GLU CG . 18880 1 919 . 1 1 92 92 GLU N N 15 122.17 0.30 . 1 . . . A 92 GLU N . 18880 1 920 . 1 1 93 93 SER H H 1 8.03 0.02 . 1 . . . A 93 SER H . 18880 1 921 . 1 1 93 93 SER HA H 1 4.21 0.02 . 1 . . . A 93 SER HA . 18880 1 922 . 1 1 93 93 SER HB2 H 1 3.85 0.02 . 2 . . . A 93 SER HB2 . 18880 1 923 . 1 1 93 93 SER HB3 H 1 3.85 0.02 . 2 . . . A 93 SER HB3 . 18880 1 924 . 1 1 93 93 SER CA C 13 60.33 0.30 . 1 . . . A 93 SER CA . 18880 1 925 . 1 1 93 93 SER CB C 13 64.33 0.30 . 1 . . . A 93 SER CB . 18880 1 926 . 1 1 93 93 SER N N 15 122.66 0.30 . 1 . . . A 93 SER N . 18880 1 stop_ save_