data_15134 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15134 _Entry.Title ; Solution structure of phl p 3, a major allergen from timothy grass pollen ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-02-15 _Entry.Accession_date 2007-02-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Kristian Schweimer . . . 15134 2 Irena Matecko . . . 15134 3 Paul Roesch . . . 15134 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 . 'not applicable' 'not applicable' . 15134 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID allergen . 15134 'timothy grass pollen' . 15134 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15134 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 386 15134 '15N chemical shifts' 95 15134 '1H chemical shifts' 686 15134 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 . . 2008-09-02 2007-05-15 update BMRB 'complete entry citation' 15134 1 . . 2008-07-28 2007-05-15 original author 'original release' 15134 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JNZ 'BMRB Entry Tracking System' 15134 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15134 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18627309 _Citation.Full_citation . _Citation.Title 'Solution structure of Phl p 3, a major allergen from Timothy grass pollen' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biol. Chem.' _Citation.Journal_name_full 'Biological Chemistry' _Citation.Journal_volume 389 _Citation.Journal_issue 7 _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 919 _Citation.Page_last 923 _Citation.Year 2008 _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 Kristian Schweimer . . . 15134 1 2 Arnd Petersen . . . 15134 1 3 R. Suck . . . 15134 1 4 Wolf-Meinhard Becker . . . 15134 1 5 Paul Roesch . . . 15134 1 6 Irena Matecko . . . 15134 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15134 _Assembly.ID 1 _Assembly.Name 'phl p 3' _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 'phl p 3' 1 $phl_p_3 A . yes native no no . . . 15134 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_phl_p_3 _Entity.Sf_category entity _Entity.Sf_framecode phl_p_3 _Entity.Entry_ID 15134 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name phl_p_3 _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 ; RGSHHHHHHGSAVQVTFTVQ KGSDPKKLVLDIKYTRPGDS LAEVELRQHGSEEWEPLTKK GNVWEVKSSKPLVGPFNFRF MSKGGMRNVFDEVIPTAFSI GKTYKPEE ; _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 108 _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 12256.045 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JNZ . "Solution Structure Of Phl P 3, A Major Allergen From Timothy Grass Pollen" . . . . . 100.00 108 100.00 100.00 1.95e-72 . . . . 15134 1 2 no PDB 3FT1 . "Crystal Structure Of Pollen Allergen Phl P 3" . . . . . 89.81 100 100.00 100.00 2.31e-63 . . . . 15134 1 3 no PDB 3FT9 . "X-Ray Crystal Structure Of Pollen Allergen - Phl P 3" . . . . . 89.81 100 100.00 100.00 2.31e-63 . . . . 15134 1 4 no GB AAR31142 . "Phl p 3 allergen, partial [Phleum pratense]" . . . . . 89.81 97 100.00 100.00 2.30e-63 . . . . 15134 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 . ARG . 15134 1 2 . GLY . 15134 1 3 . SER . 15134 1 4 . HIS . 15134 1 5 . HIS . 15134 1 6 . HIS . 15134 1 7 . HIS . 15134 1 8 . HIS . 15134 1 9 . HIS . 15134 1 10 . GLY . 15134 1 11 . SER . 15134 1 12 . ALA . 15134 1 13 . VAL . 15134 1 14 . GLN . 15134 1 15 . VAL . 15134 1 16 . THR . 15134 1 17 . PHE . 15134 1 18 . THR . 15134 1 19 . VAL . 15134 1 20 . GLN . 15134 1 21 . LYS . 15134 1 22 . GLY . 15134 1 23 . SER . 15134 1 24 . ASP . 15134 1 25 . PRO . 15134 1 26 . LYS . 15134 1 27 . LYS . 15134 1 28 . LEU . 15134 1 29 . VAL . 15134 1 30 . LEU . 15134 1 31 . ASP . 15134 1 32 . ILE . 15134 1 33 . LYS . 15134 1 34 . TYR . 15134 1 35 . THR . 15134 1 36 . ARG . 15134 1 37 . PRO . 15134 1 38 . GLY . 15134 1 39 . ASP . 15134 1 40 . SER . 15134 1 41 . LEU . 15134 1 42 . ALA . 15134 1 43 . GLU . 15134 1 44 . VAL . 15134 1 45 . GLU . 15134 1 46 . LEU . 15134 1 47 . ARG . 15134 1 48 . GLN . 15134 1 49 . HIS . 15134 1 50 . GLY . 15134 1 51 . SER . 15134 1 52 . GLU . 15134 1 53 . GLU . 15134 1 54 . TRP . 15134 1 55 . GLU . 15134 1 56 . PRO . 15134 1 57 . LEU . 15134 1 58 . THR . 15134 1 59 . LYS . 15134 1 60 . LYS . 15134 1 61 . GLY . 15134 1 62 . ASN . 15134 1 63 . VAL . 15134 1 64 . TRP . 15134 1 65 . GLU . 15134 1 66 . VAL . 15134 1 67 . LYS . 15134 1 68 . SER . 15134 1 69 . SER . 15134 1 70 . LYS . 15134 1 71 . PRO . 15134 1 72 . LEU . 15134 1 73 . VAL . 15134 1 74 . GLY . 15134 1 75 . PRO . 15134 1 76 . PHE . 15134 1 77 . ASN . 15134 1 78 . PHE . 15134 1 79 . ARG . 15134 1 80 . PHE . 15134 1 81 . MET . 15134 1 82 . SER . 15134 1 83 . LYS . 15134 1 84 . GLY . 15134 1 85 . GLY . 15134 1 86 . MET . 15134 1 87 . ARG . 15134 1 88 . ASN . 15134 1 89 . VAL . 15134 1 90 . PHE . 15134 1 91 . ASP . 15134 1 92 . GLU . 15134 1 93 . VAL . 15134 1 94 . ILE . 15134 1 95 . PRO . 15134 1 96 . THR . 15134 1 97 . ALA . 15134 1 98 . PHE . 15134 1 99 . SER . 15134 1 100 . ILE . 15134 1 101 . GLY . 15134 1 102 . LYS . 15134 1 103 . THR . 15134 1 104 . TYR . 15134 1 105 . LYS . 15134 1 106 . PRO . 15134 1 107 . GLU . 15134 1 108 . GLU . 15134 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 . ARG 1 1 15134 1 . GLY 2 2 15134 1 . SER 3 3 15134 1 . HIS 4 4 15134 1 . HIS 5 5 15134 1 . HIS 6 6 15134 1 . HIS 7 7 15134 1 . HIS 8 8 15134 1 . HIS 9 9 15134 1 . GLY 10 10 15134 1 . SER 11 11 15134 1 . ALA 12 12 15134 1 . VAL 13 13 15134 1 . GLN 14 14 15134 1 . VAL 15 15 15134 1 . THR 16 16 15134 1 . PHE 17 17 15134 1 . THR 18 18 15134 1 . VAL 19 19 15134 1 . GLN 20 20 15134 1 . LYS 21 21 15134 1 . GLY 22 22 15134 1 . SER 23 23 15134 1 . ASP 24 24 15134 1 . PRO 25 25 15134 1 . LYS 26 26 15134 1 . LYS 27 27 15134 1 . LEU 28 28 15134 1 . VAL 29 29 15134 1 . LEU 30 30 15134 1 . ASP 31 31 15134 1 . ILE 32 32 15134 1 . LYS 33 33 15134 1 . TYR 34 34 15134 1 . THR 35 35 15134 1 . ARG 36 36 15134 1 . PRO 37 37 15134 1 . GLY 38 38 15134 1 . ASP 39 39 15134 1 . SER 40 40 15134 1 . LEU 41 41 15134 1 . ALA 42 42 15134 1 . GLU 43 43 15134 1 . VAL 44 44 15134 1 . GLU 45 45 15134 1 . LEU 46 46 15134 1 . ARG 47 47 15134 1 . GLN 48 48 15134 1 . HIS 49 49 15134 1 . GLY 50 50 15134 1 . SER 51 51 15134 1 . GLU 52 52 15134 1 . GLU 53 53 15134 1 . TRP 54 54 15134 1 . GLU 55 55 15134 1 . PRO 56 56 15134 1 . LEU 57 57 15134 1 . THR 58 58 15134 1 . LYS 59 59 15134 1 . LYS 60 60 15134 1 . GLY 61 61 15134 1 . ASN 62 62 15134 1 . VAL 63 63 15134 1 . TRP 64 64 15134 1 . GLU 65 65 15134 1 . VAL 66 66 15134 1 . LYS 67 67 15134 1 . SER 68 68 15134 1 . SER 69 69 15134 1 . LYS 70 70 15134 1 . PRO 71 71 15134 1 . LEU 72 72 15134 1 . VAL 73 73 15134 1 . GLY 74 74 15134 1 . PRO 75 75 15134 1 . PHE 76 76 15134 1 . ASN 77 77 15134 1 . PHE 78 78 15134 1 . ARG 79 79 15134 1 . PHE 80 80 15134 1 . MET 81 81 15134 1 . SER 82 82 15134 1 . LYS 83 83 15134 1 . GLY 84 84 15134 1 . GLY 85 85 15134 1 . MET 86 86 15134 1 . ARG 87 87 15134 1 . ASN 88 88 15134 1 . VAL 89 89 15134 1 . PHE 90 90 15134 1 . ASP 91 91 15134 1 . GLU 92 92 15134 1 . VAL 93 93 15134 1 . ILE 94 94 15134 1 . PRO 95 95 15134 1 . THR 96 96 15134 1 . ALA 97 97 15134 1 . PHE 98 98 15134 1 . SER 99 99 15134 1 . ILE 100 100 15134 1 . GLY 101 101 15134 1 . LYS 102 102 15134 1 . THR 103 103 15134 1 . TYR 104 104 15134 1 . LYS 105 105 15134 1 . PRO 106 106 15134 1 . GLU 107 107 15134 1 . GLU 108 108 15134 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 15134 _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 $phl_p_3 . . organism . 'Phleum pratense' 'timothy grass' . . Eukaryota Viridiplantae Phleum pratense . . . . . . . . . . . . . . . . . . . . . 15134 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 15134 _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 $phl_p_3 . 'recombinant technology' 'Escherichia coli' . . . . . 'M15 pREP 4' . . . . . . . . . . . . . . . pQE9 . . . . . . 15134 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15134 _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 'phl p 3' '[U-95% 13C; U-95% 15N]' . . 1 $phl_p_3 . . 2 . . mM . . . . 15134 1 2 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 15134 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15134 1 4 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 15134 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15134 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Pf1 phage solution for RDC measurements' _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 'phl p 3' '[U-95% 13C; U-95% 15N]' . . 1 $phl_p_3 . . 1 . . mM . . . . 15134 2 2 'Pf1 phage' 'natural abundance' . . . . . . 10 . . mg/mL . . . . 15134 2 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 15134 2 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15134 2 5 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 15134 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 15134 _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' 100 . mM 15134 1 pH 7 . pH 15134 1 pressure 1 . atm 15134 1 temperature 298 . K 15134 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15134 _Software.ID 1 _Software.Name NMRView _Software.Version 5.2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15134 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15134 1 'peak picking' 15134 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15134 _Software.ID 2 _Software.Name 'X-PLOR NIH' _Software.Version 1.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15134 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15134 2 'structure solution' 15134 2 stop_ save_ save_home_written _Software.Sf_category software _Software.Sf_framecode home_written _Software.Entry_ID 15134 _Software.ID 3 _Software.Name home_written _Software.Version 0.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kristian Schweimer' . . 15134 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15134 3 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 15134 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15134 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'equipped with CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 15134 _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 Bruker DRX . 600 . . . 15134 1 2 spectrometer_2 Bruker Avance . 700 'equipped with CryoProbe' . . 15134 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 15134 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15134 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15134 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15134 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15134 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15134 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15134 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15134 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15134 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15134 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15134 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15134 1 12 '2D 1H-15N IPAP' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15134 1 13 '3D HA(CO)NH-J' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15134 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 15134 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15134 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15134 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15134 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 15134 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.15 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 15134 1 2 '2D 1H-13C HSQC' . . . 15134 1 3 '3D HNCACB' . . . 15134 1 4 '3D CBCA(CO)NH' . . . 15134 1 5 '3D HNCO' . . . 15134 1 6 '3D HNCA' . . . 15134 1 7 '3D C(CO)NH' . . . 15134 1 8 '3D HCCH-TOCSY' . . . 15134 1 9 '3D 1H-15N NOESY' . . . 15134 1 10 '3D 1H-13C NOESY' . . . 15134 1 11 '3D HBHA(CO)NH' . . . 15134 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRView . . 15134 1 3 $home_written . . 15134 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 11 11 SER HA H 1 4.46 0.02 . 1 . . . . 11 SER HA . 15134 1 2 . 1 1 11 11 SER HB2 H 1 3.90 0.02 . 1 . . . . 11 SER HB2 . 15134 1 3 . 1 1 11 11 SER HB3 H 1 3.90 0.02 . 1 . . . . 11 SER HB3 . 15134 1 4 . 1 1 11 11 SER C C 13 174.25 0.15 . 1 . . . . 11 SER C . 15134 1 5 . 1 1 11 11 SER CA C 13 58.32 0.15 . 1 . . . . 11 SER CA . 15134 1 6 . 1 1 11 11 SER CB C 13 64.02 0.15 . 1 . . . . 11 SER CB . 15134 1 7 . 1 1 12 12 ALA H H 1 8.37 0.02 . 1 . . . . 12 ALA H . 15134 1 8 . 1 1 12 12 ALA HA H 1 4.30 0.02 . 1 . . . . 12 ALA HA . 15134 1 9 . 1 1 12 12 ALA HB1 H 1 1.39 0.02 . 1 . . . . 12 ALA HB . 15134 1 10 . 1 1 12 12 ALA HB2 H 1 1.39 0.02 . 1 . . . . 12 ALA HB . 15134 1 11 . 1 1 12 12 ALA HB3 H 1 1.39 0.02 . 1 . . . . 12 ALA HB . 15134 1 12 . 1 1 12 12 ALA C C 13 176.82 0.15 . 1 . . . . 12 ALA C . 15134 1 13 . 1 1 12 12 ALA CA C 13 52.83 0.15 . 1 . . . . 12 ALA CA . 15134 1 14 . 1 1 12 12 ALA CB C 13 19.44 0.15 . 1 . . . . 12 ALA CB . 15134 1 15 . 1 1 12 12 ALA N N 15 125.78 0.1 . 1 . . . . 12 ALA N . 15134 1 16 . 1 1 13 13 VAL H H 1 7.90 0.02 . 1 . . . . 13 VAL H . 15134 1 17 . 1 1 13 13 VAL HA H 1 4.34 0.02 . 1 . . . . 13 VAL HA . 15134 1 18 . 1 1 13 13 VAL HB H 1 1.78 0.02 . 1 . . . . 13 VAL HB . 15134 1 19 . 1 1 13 13 VAL HG11 H 1 0.63 0.02 . 2 . . . . 13 VAL HG1 . 15134 1 20 . 1 1 13 13 VAL HG12 H 1 0.63 0.02 . 2 . . . . 13 VAL HG1 . 15134 1 21 . 1 1 13 13 VAL HG13 H 1 0.63 0.02 . 2 . . . . 13 VAL HG1 . 15134 1 22 . 1 1 13 13 VAL HG21 H 1 0.64 0.02 . 2 . . . . 13 VAL HG2 . 15134 1 23 . 1 1 13 13 VAL HG22 H 1 0.64 0.02 . 2 . . . . 13 VAL HG2 . 15134 1 24 . 1 1 13 13 VAL HG23 H 1 0.64 0.02 . 2 . . . . 13 VAL HG2 . 15134 1 25 . 1 1 13 13 VAL C C 13 174.75 0.15 . 1 . . . . 13 VAL C . 15134 1 26 . 1 1 13 13 VAL CA C 13 60.88 0.15 . 1 . . . . 13 VAL CA . 15134 1 27 . 1 1 13 13 VAL CB C 13 33.56 0.15 . 1 . . . . 13 VAL CB . 15134 1 28 . 1 1 13 13 VAL CG1 C 13 20.70 0.15 . 2 . . . . 13 VAL CG1 . 15134 1 29 . 1 1 13 13 VAL CG2 C 13 21.20 0.15 . 2 . . . . 13 VAL CG2 . 15134 1 30 . 1 1 13 13 VAL N N 15 117.69 0.1 . 1 . . . . 13 VAL N . 15134 1 31 . 1 1 14 14 GLN H H 1 8.02 0.02 . 1 . . . . 14 GLN H . 15134 1 32 . 1 1 14 14 GLN HA H 1 4.59 0.02 . 1 . . . . 14 GLN HA . 15134 1 33 . 1 1 14 14 GLN HB2 H 1 1.93 0.02 . 2 . . . . 14 GLN HB2 . 15134 1 34 . 1 1 14 14 GLN HB3 H 1 1.79 0.02 . 2 . . . . 14 GLN HB3 . 15134 1 35 . 1 1 14 14 GLN HG2 H 1 2.22 0.02 . 1 . . . . 14 GLN HG2 . 15134 1 36 . 1 1 14 14 GLN HG3 H 1 2.22 0.02 . 1 . . . . 14 GLN HG3 . 15134 1 37 . 1 1 14 14 GLN C C 13 174.41 0.15 . 1 . . . . 14 GLN C . 15134 1 38 . 1 1 14 14 GLN CA C 13 54.78 0.15 . 1 . . . . 14 GLN CA . 15134 1 39 . 1 1 14 14 GLN CB C 13 31.12 0.15 . 1 . . . . 14 GLN CB . 15134 1 40 . 1 1 14 14 GLN CG C 13 33.70 0.15 . 1 . . . . 14 GLN CG . 15134 1 41 . 1 1 14 14 GLN N N 15 124.98 0.1 . 1 . . . . 14 GLN N . 15134 1 42 . 1 1 15 15 VAL H H 1 8.12 0.02 . 1 . . . . 15 VAL H . 15134 1 43 . 1 1 15 15 VAL HA H 1 5.23 0.02 . 1 . . . . 15 VAL HA . 15134 1 44 . 1 1 15 15 VAL HB H 1 1.31 0.02 . 1 . . . . 15 VAL HB . 15134 1 45 . 1 1 15 15 VAL HG11 H 1 0.12 0.02 . 2 . . . . 15 VAL HG1 . 15134 1 46 . 1 1 15 15 VAL HG12 H 1 0.12 0.02 . 2 . . . . 15 VAL HG1 . 15134 1 47 . 1 1 15 15 VAL HG13 H 1 0.12 0.02 . 2 . . . . 15 VAL HG1 . 15134 1 48 . 1 1 15 15 VAL HG21 H 1 0.27 0.02 . 2 . . . . 15 VAL HG2 . 15134 1 49 . 1 1 15 15 VAL HG22 H 1 0.27 0.02 . 2 . . . . 15 VAL HG2 . 15134 1 50 . 1 1 15 15 VAL HG23 H 1 0.27 0.02 . 2 . . . . 15 VAL HG2 . 15134 1 51 . 1 1 15 15 VAL C C 13 174.50 0.15 . 1 . . . . 15 VAL C . 15134 1 52 . 1 1 15 15 VAL CA C 13 59.22 0.15 . 1 . . . . 15 VAL CA . 15134 1 53 . 1 1 15 15 VAL CB C 13 35.21 0.15 . 1 . . . . 15 VAL CB . 15134 1 54 . 1 1 15 15 VAL CG1 C 13 21.67 0.15 . 2 . . . . 15 VAL CG1 . 15134 1 55 . 1 1 15 15 VAL CG2 C 13 21.55 0.15 . 2 . . . . 15 VAL CG2 . 15134 1 56 . 1 1 15 15 VAL N N 15 121.17 0.1 . 1 . . . . 15 VAL N . 15134 1 57 . 1 1 16 16 THR H H 1 7.95 0.02 . 1 . . . . 16 THR H . 15134 1 58 . 1 1 16 16 THR HA H 1 4.72 0.02 . 1 . . . . 16 THR HA . 15134 1 59 . 1 1 16 16 THR HB H 1 4.00 0.02 . 1 . . . . 16 THR HB . 15134 1 60 . 1 1 16 16 THR HG21 H 1 1.08 0.02 . 1 . . . . 16 THR HG2 . 15134 1 61 . 1 1 16 16 THR HG22 H 1 1.08 0.02 . 1 . . . . 16 THR HG2 . 15134 1 62 . 1 1 16 16 THR HG23 H 1 1.08 0.02 . 1 . . . . 16 THR HG2 . 15134 1 63 . 1 1 16 16 THR C C 13 172.49 0.15 . 1 . . . . 16 THR C . 15134 1 64 . 1 1 16 16 THR CA C 13 60.58 0.15 . 1 . . . . 16 THR CA . 15134 1 65 . 1 1 16 16 THR CB C 13 71.98 0.15 . 1 . . . . 16 THR CB . 15134 1 66 . 1 1 16 16 THR N N 15 113.36 0.1 . 1 . . . . 16 THR N . 15134 1 67 . 1 1 17 17 PHE H H 1 8.99 0.02 . 1 . . . . 17 PHE H . 15134 1 68 . 1 1 17 17 PHE HA H 1 5.06 0.02 . 1 . . . . 17 PHE HA . 15134 1 69 . 1 1 17 17 PHE HB2 H 1 3.22 0.02 . 2 . . . . 17 PHE HB2 . 15134 1 70 . 1 1 17 17 PHE HB3 H 1 2.54 0.02 . 2 . . . . 17 PHE HB3 . 15134 1 71 . 1 1 17 17 PHE HD1 H 1 6.72 0.02 . 1 . . . . 17 PHE HD1 . 15134 1 72 . 1 1 17 17 PHE HD2 H 1 6.72 0.02 . 1 . . . . 17 PHE HD2 . 15134 1 73 . 1 1 17 17 PHE HE1 H 1 6.28 0.02 . 1 . . . . 17 PHE HE1 . 15134 1 74 . 1 1 17 17 PHE HE2 H 1 6.28 0.02 . 1 . . . . 17 PHE HE2 . 15134 1 75 . 1 1 17 17 PHE HZ H 1 6.64 0.02 . 1 . . . . 17 PHE HZ . 15134 1 76 . 1 1 17 17 PHE C C 13 175.43 0.15 . 1 . . . . 17 PHE C . 15134 1 77 . 1 1 17 17 PHE CA C 13 56.08 0.15 . 1 . . . . 17 PHE CA . 15134 1 78 . 1 1 17 17 PHE CB C 13 42.78 0.15 . 1 . . . . 17 PHE CB . 15134 1 79 . 1 1 17 17 PHE N N 15 118.57 0.1 . 1 . . . . 17 PHE N . 15134 1 80 . 1 1 18 18 THR H H 1 9.21 0.02 . 1 . . . . 18 THR H . 15134 1 81 . 1 1 18 18 THR HA H 1 5.55 0.02 . 1 . . . . 18 THR HA . 15134 1 82 . 1 1 18 18 THR HB H 1 4.03 0.02 . 1 . . . . 18 THR HB . 15134 1 83 . 1 1 18 18 THR HG21 H 1 1.08 0.02 . 1 . . . . 18 THR HG2 . 15134 1 84 . 1 1 18 18 THR HG22 H 1 1.08 0.02 . 1 . . . . 18 THR HG2 . 15134 1 85 . 1 1 18 18 THR HG23 H 1 1.08 0.02 . 1 . . . . 18 THR HG2 . 15134 1 86 . 1 1 18 18 THR C C 13 175.38 0.15 . 1 . . . . 18 THR C . 15134 1 87 . 1 1 18 18 THR CA C 13 62.15 0.15 . 1 . . . . 18 THR CA . 15134 1 88 . 1 1 18 18 THR CB C 13 70.57 0.15 . 1 . . . . 18 THR CB . 15134 1 89 . 1 1 18 18 THR N N 15 119.98 0.1 . 1 . . . . 18 THR N . 15134 1 90 . 1 1 19 19 VAL H H 1 8.59 0.02 . 1 . . . . 19 VAL H . 15134 1 91 . 1 1 19 19 VAL HA H 1 4.10 0.02 . 1 . . . . 19 VAL HA . 15134 1 92 . 1 1 19 19 VAL HB H 1 2.61 0.02 . 1 . . . . 19 VAL HB . 15134 1 93 . 1 1 19 19 VAL HG11 H 1 1.03 0.02 . 2 . . . . 19 VAL HG1 . 15134 1 94 . 1 1 19 19 VAL HG12 H 1 1.03 0.02 . 2 . . . . 19 VAL HG1 . 15134 1 95 . 1 1 19 19 VAL HG13 H 1 1.03 0.02 . 2 . . . . 19 VAL HG1 . 15134 1 96 . 1 1 19 19 VAL HG21 H 1 1.03 0.02 . 2 . . . . 19 VAL HG2 . 15134 1 97 . 1 1 19 19 VAL HG22 H 1 1.03 0.02 . 2 . . . . 19 VAL HG2 . 15134 1 98 . 1 1 19 19 VAL HG23 H 1 1.03 0.02 . 2 . . . . 19 VAL HG2 . 15134 1 99 . 1 1 19 19 VAL C C 13 175.98 0.15 . 1 . . . . 19 VAL C . 15134 1 100 . 1 1 19 19 VAL CA C 13 64.29 0.15 . 1 . . . . 19 VAL CA . 15134 1 101 . 1 1 19 19 VAL CB C 13 31.17 0.15 . 1 . . . . 19 VAL CB . 15134 1 102 . 1 1 19 19 VAL CG1 C 13 22.30 0.15 . 1 . . . . 19 VAL CG1 . 15134 1 103 . 1 1 19 19 VAL CG2 C 13 22.30 0.15 . 1 . . . . 19 VAL CG2 . 15134 1 104 . 1 1 19 19 VAL N N 15 130.66 0.1 . 1 . . . . 19 VAL N . 15134 1 105 . 1 1 20 20 GLN H H 1 9.10 0.02 . 1 . . . . 20 GLN H . 15134 1 106 . 1 1 20 20 GLN HA H 1 4.72 0.02 . 1 . . . . 20 GLN HA . 15134 1 107 . 1 1 20 20 GLN HB2 H 1 2.32 0.02 . 2 . . . . 20 GLN HB2 . 15134 1 108 . 1 1 20 20 GLN HB3 H 1 1.79 0.02 . 2 . . . . 20 GLN HB3 . 15134 1 109 . 1 1 20 20 GLN HG2 H 1 2.20 0.02 . 1 . . . . 20 GLN HG2 . 15134 1 110 . 1 1 20 20 GLN HG3 H 1 2.20 0.02 . 1 . . . . 20 GLN HG3 . 15134 1 111 . 1 1 20 20 GLN HE21 H 1 7.36 0.02 . 1 . . . . 20 GLN HE21 . 15134 1 112 . 1 1 20 20 GLN HE22 H 1 6.80 0.02 . 1 . . . . 20 GLN HE22 . 15134 1 113 . 1 1 20 20 GLN C C 13 176.98 0.15 . 1 . . . . 20 GLN C . 15134 1 114 . 1 1 20 20 GLN CA C 13 54.04 0.15 . 1 . . . . 20 GLN CA . 15134 1 115 . 1 1 20 20 GLN CB C 13 31.61 0.15 . 1 . . . . 20 GLN CB . 15134 1 116 . 1 1 20 20 GLN CG C 13 34.50 0.15 . 1 . . . . 20 GLN CG . 15134 1 117 . 1 1 20 20 GLN N N 15 126.52 0.1 . 1 . . . . 20 GLN N . 15134 1 118 . 1 1 20 20 GLN NE2 N 15 114.25 0.1 . 1 . . . . 20 GLN NE2 . 15134 1 119 . 1 1 21 21 LYS H H 1 8.77 0.02 . 1 . . . . 21 LYS H . 15134 1 120 . 1 1 21 21 LYS HA H 1 4.11 0.02 . 1 . . . . 21 LYS HA . 15134 1 121 . 1 1 21 21 LYS HB2 H 1 1.86 0.02 . 1 . . . . 21 LYS HB2 . 15134 1 122 . 1 1 21 21 LYS HB3 H 1 1.86 0.02 . 1 . . . . 21 LYS HB3 . 15134 1 123 . 1 1 21 21 LYS HG2 H 1 1.56 0.02 . 1 . . . . 21 LYS HG2 . 15134 1 124 . 1 1 21 21 LYS HG3 H 1 1.56 0.02 . 1 . . . . 21 LYS HG3 . 15134 1 125 . 1 1 21 21 LYS HD2 H 1 1.75 0.02 . 1 . . . . 21 LYS HD2 . 15134 1 126 . 1 1 21 21 LYS HD3 H 1 1.75 0.02 . 1 . . . . 21 LYS HD3 . 15134 1 127 . 1 1 21 21 LYS HE2 H 1 3.04 0.02 . 1 . . . . 21 LYS HE2 . 15134 1 128 . 1 1 21 21 LYS HE3 H 1 3.04 0.02 . 1 . . . . 21 LYS HE3 . 15134 1 129 . 1 1 21 21 LYS C C 13 175.30 0.15 . 1 . . . . 21 LYS C . 15134 1 130 . 1 1 21 21 LYS CA C 13 58.87 0.15 . 1 . . . . 21 LYS CA . 15134 1 131 . 1 1 21 21 LYS CB C 13 32.31 0.15 . 1 . . . . 21 LYS CB . 15134 1 132 . 1 1 21 21 LYS CG C 13 25.00 0.15 . 1 . . . . 21 LYS CG . 15134 1 133 . 1 1 21 21 LYS CD C 13 29.40 0.15 . 1 . . . . 21 LYS CD . 15134 1 134 . 1 1 21 21 LYS CE C 13 42.00 0.15 . 1 . . . . 21 LYS CE . 15134 1 135 . 1 1 21 21 LYS N N 15 122.11 0.1 . 1 . . . . 21 LYS N . 15134 1 136 . 1 1 22 22 GLY H H 1 8.95 0.02 . 1 . . . . 22 GLY H . 15134 1 137 . 1 1 22 22 GLY HA2 H 1 4.49 0.02 . 2 . . . . 22 GLY HA2 . 15134 1 138 . 1 1 22 22 GLY HA3 H 1 3.63 0.02 . 2 . . . . 22 GLY HA3 . 15134 1 139 . 1 1 22 22 GLY C C 13 174.93 0.15 . 1 . . . . 22 GLY C . 15134 1 140 . 1 1 22 22 GLY CA C 13 44.56 0.15 . 1 . . . . 22 GLY CA . 15134 1 141 . 1 1 22 22 GLY N N 15 113.23 0.1 . 1 . . . . 22 GLY N . 15134 1 142 . 1 1 23 23 SER H H 1 7.58 0.02 . 1 . . . . 23 SER H . 15134 1 143 . 1 1 23 23 SER HA H 1 4.89 0.02 . 1 . . . . 23 SER HA . 15134 1 144 . 1 1 23 23 SER HB2 H 1 4.16 0.02 . 2 . . . . 23 SER HB2 . 15134 1 145 . 1 1 23 23 SER HB3 H 1 3.82 0.02 . 2 . . . . 23 SER HB3 . 15134 1 146 . 1 1 23 23 SER C C 13 172.76 0.15 . 1 . . . . 23 SER C . 15134 1 147 . 1 1 23 23 SER CA C 13 60.13 0.15 . 1 . . . . 23 SER CA . 15134 1 148 . 1 1 23 23 SER CB C 13 64.52 0.15 . 1 . . . . 23 SER CB . 15134 1 149 . 1 1 23 23 SER N N 15 115.82 0.1 . 1 . . . . 23 SER N . 15134 1 150 . 1 1 24 24 ASP H H 1 10.67 0.02 . 1 . . . . 24 ASP H . 15134 1 151 . 1 1 24 24 ASP HA H 1 4.88 0.02 . 1 . . . . 24 ASP HA . 15134 1 152 . 1 1 24 24 ASP HB2 H 1 2.85 0.02 . 2 . . . . 24 ASP HB2 . 15134 1 153 . 1 1 24 24 ASP HB3 H 1 3.25 0.02 . 2 . . . . 24 ASP HB3 . 15134 1 154 . 1 1 24 24 ASP CA C 13 54.35 0.15 . 1 . . . . 24 ASP CA . 15134 1 155 . 1 1 24 24 ASP CB C 13 41.01 0.15 . 1 . . . . 24 ASP CB . 15134 1 156 . 1 1 24 24 ASP N N 15 130.06 0.1 . 1 . . . . 24 ASP N . 15134 1 157 . 1 1 25 25 PRO HA H 1 4.51 0.02 . 1 . . . . 25 PRO HA . 15134 1 158 . 1 1 25 25 PRO HB2 H 1 2.55 0.02 . 2 . . . . 25 PRO HB2 . 15134 1 159 . 1 1 25 25 PRO HB3 H 1 1.85 0.02 . 2 . . . . 25 PRO HB3 . 15134 1 160 . 1 1 25 25 PRO HG2 H 1 2.00 0.02 . 2 . . . . 25 PRO HG2 . 15134 1 161 . 1 1 25 25 PRO HG3 H 1 2.16 0.02 . 2 . . . . 25 PRO HG3 . 15134 1 162 . 1 1 25 25 PRO HD2 H 1 3.64 0.02 . 2 . . . . 25 PRO HD2 . 15134 1 163 . 1 1 25 25 PRO HD3 H 1 3.92 0.02 . 2 . . . . 25 PRO HD3 . 15134 1 164 . 1 1 25 25 PRO C C 13 177.02 0.15 . 1 . . . . 25 PRO C . 15134 1 165 . 1 1 25 25 PRO CA C 13 66.19 0.15 . 1 . . . . 25 PRO CA . 15134 1 166 . 1 1 25 25 PRO CB C 13 32.56 0.15 . 1 . . . . 25 PRO CB . 15134 1 167 . 1 1 25 25 PRO CG C 13 28.20 0.15 . 1 . . . . 25 PRO CG . 15134 1 168 . 1 1 25 25 PRO CD C 13 51.00 0.15 . 1 . . . . 25 PRO CD . 15134 1 169 . 1 1 26 26 LYS H H 1 8.77 0.02 . 1 . . . . 26 LYS H . 15134 1 170 . 1 1 26 26 LYS HA H 1 4.49 0.02 . 1 . . . . 26 LYS HA . 15134 1 171 . 1 1 26 26 LYS HB2 H 1 2.49 0.02 . 2 . . . . 26 LYS HB2 . 15134 1 172 . 1 1 26 26 LYS HB3 H 1 1.67 0.02 . 2 . . . . 26 LYS HB3 . 15134 1 173 . 1 1 26 26 LYS HG2 H 1 0.87 0.02 . 2 . . . . 26 LYS HG2 . 15134 1 174 . 1 1 26 26 LYS HG3 H 1 1.32 0.02 . 2 . . . . 26 LYS HG3 . 15134 1 175 . 1 1 26 26 LYS HD2 H 1 1.57 0.02 . 1 . . . . 26 LYS HD2 . 15134 1 176 . 1 1 26 26 LYS HD3 H 1 1.57 0.02 . 1 . . . . 26 LYS HD3 . 15134 1 177 . 1 1 26 26 LYS HE2 H 1 2.83 0.02 . 1 . . . . 26 LYS HE2 . 15134 1 178 . 1 1 26 26 LYS HE3 H 1 2.83 0.02 . 1 . . . . 26 LYS HE3 . 15134 1 179 . 1 1 26 26 LYS C C 13 174.10 0.15 . 1 . . . . 26 LYS C . 15134 1 180 . 1 1 26 26 LYS CA C 13 56.09 0.15 . 1 . . . . 26 LYS CA . 15134 1 181 . 1 1 26 26 LYS CB C 13 33.63 0.15 . 1 . . . . 26 LYS CB . 15134 1 182 . 1 1 26 26 LYS CG C 13 25.80 0.15 . 1 . . . . 26 LYS CG . 15134 1 183 . 1 1 26 26 LYS CD C 13 29.60 0.15 . 1 . . . . 26 LYS CD . 15134 1 184 . 1 1 26 26 LYS CE C 13 42.00 0.15 . 1 . . . . 26 LYS CE . 15134 1 185 . 1 1 26 26 LYS N N 15 113.92 0.1 . 1 . . . . 26 LYS N . 15134 1 186 . 1 1 27 27 LYS H H 1 8.13 0.02 . 1 . . . . 27 LYS H . 15134 1 187 . 1 1 27 27 LYS HA H 1 5.17 0.02 . 1 . . . . 27 LYS HA . 15134 1 188 . 1 1 27 27 LYS HB2 H 1 1.79 0.02 . 1 . . . . 27 LYS HB2 . 15134 1 189 . 1 1 27 27 LYS HB3 H 1 1.79 0.02 . 1 . . . . 27 LYS HB3 . 15134 1 190 . 1 1 27 27 LYS C C 13 173.35 0.15 . 1 . . . . 27 LYS C . 15134 1 191 . 1 1 27 27 LYS CA C 13 56.09 0.15 . 1 . . . . 27 LYS CA . 15134 1 192 . 1 1 27 27 LYS CB C 13 35.92 0.15 . 1 . . . . 27 LYS CB . 15134 1 193 . 1 1 27 27 LYS N N 15 122.55 0.1 . 1 . . . . 27 LYS N . 15134 1 194 . 1 1 28 28 LEU H H 1 8.54 0.02 . 1 . . . . 28 LEU H . 15134 1 195 . 1 1 28 28 LEU HA H 1 4.54 0.02 . 1 . . . . 28 LEU HA . 15134 1 196 . 1 1 28 28 LEU HB2 H 1 1.11 0.02 . 2 . . . . 28 LEU HB2 . 15134 1 197 . 1 1 28 28 LEU HB3 H 1 1.22 0.02 . 2 . . . . 28 LEU HB3 . 15134 1 198 . 1 1 28 28 LEU HG H 1 1.11 0.02 . 1 . . . . 28 LEU HG . 15134 1 199 . 1 1 28 28 LEU HD11 H 1 0.04 0.02 . 2 . . . . 28 LEU HD1 . 15134 1 200 . 1 1 28 28 LEU HD12 H 1 0.04 0.02 . 2 . . . . 28 LEU HD1 . 15134 1 201 . 1 1 28 28 LEU HD13 H 1 0.04 0.02 . 2 . . . . 28 LEU HD1 . 15134 1 202 . 1 1 28 28 LEU HD21 H 1 0.15 0.02 . 2 . . . . 28 LEU HD2 . 15134 1 203 . 1 1 28 28 LEU HD22 H 1 0.15 0.02 . 2 . . . . 28 LEU HD2 . 15134 1 204 . 1 1 28 28 LEU HD23 H 1 0.15 0.02 . 2 . . . . 28 LEU HD2 . 15134 1 205 . 1 1 28 28 LEU C C 13 174.20 0.15 . 1 . . . . 28 LEU C . 15134 1 206 . 1 1 28 28 LEU CA C 13 53.31 0.15 . 1 . . . . 28 LEU CA . 15134 1 207 . 1 1 28 28 LEU CB C 13 44.94 0.15 . 1 . . . . 28 LEU CB . 15134 1 208 . 1 1 28 28 LEU CG C 13 26.60 0.15 . 1 . . . . 28 LEU CG . 15134 1 209 . 1 1 28 28 LEU CD1 C 13 24.00 0.15 . 2 . . . . 28 LEU CD1 . 15134 1 210 . 1 1 28 28 LEU CD2 C 13 24.10 0.15 . 2 . . . . 28 LEU CD2 . 15134 1 211 . 1 1 28 28 LEU N N 15 125.00 0.1 . 1 . . . . 28 LEU N . 15134 1 212 . 1 1 29 29 VAL H H 1 8.26 0.02 . 1 . . . . 29 VAL H . 15134 1 213 . 1 1 29 29 VAL HA H 1 4.68 0.02 . 1 . . . . 29 VAL HA . 15134 1 214 . 1 1 29 29 VAL HB H 1 1.83 0.02 . 1 . . . . 29 VAL HB . 15134 1 215 . 1 1 29 29 VAL HG11 H 1 0.90 0.02 . 2 . . . . 29 VAL HG1 . 15134 1 216 . 1 1 29 29 VAL HG12 H 1 0.90 0.02 . 2 . . . . 29 VAL HG1 . 15134 1 217 . 1 1 29 29 VAL HG13 H 1 0.90 0.02 . 2 . . . . 29 VAL HG1 . 15134 1 218 . 1 1 29 29 VAL HG21 H 1 0.81 0.02 . 2 . . . . 29 VAL HG2 . 15134 1 219 . 1 1 29 29 VAL HG22 H 1 0.81 0.02 . 2 . . . . 29 VAL HG2 . 15134 1 220 . 1 1 29 29 VAL HG23 H 1 0.81 0.02 . 2 . . . . 29 VAL HG2 . 15134 1 221 . 1 1 29 29 VAL C C 13 175.65 0.15 . 1 . . . . 29 VAL C . 15134 1 222 . 1 1 29 29 VAL CA C 13 61.61 0.15 . 1 . . . . 29 VAL CA . 15134 1 223 . 1 1 29 29 VAL CB C 13 32.44 0.15 . 1 . . . . 29 VAL CB . 15134 1 224 . 1 1 29 29 VAL CG1 C 13 21.60 0.15 . 2 . . . . 29 VAL CG1 . 15134 1 225 . 1 1 29 29 VAL CG2 C 13 20.58 0.15 . 2 . . . . 29 VAL CG2 . 15134 1 226 . 1 1 29 29 VAL N N 15 124.19 0.1 . 1 . . . . 29 VAL N . 15134 1 227 . 1 1 30 30 LEU H H 1 9.75 0.02 . 1 . . . . 30 LEU H . 15134 1 228 . 1 1 30 30 LEU HA H 1 5.22 0.02 . 1 . . . . 30 LEU HA . 15134 1 229 . 1 1 30 30 LEU HB2 H 1 1.76 0.02 . 2 . . . . 30 LEU HB2 . 15134 1 230 . 1 1 30 30 LEU HB3 H 1 1.16 0.02 . 2 . . . . 30 LEU HB3 . 15134 1 231 . 1 1 30 30 LEU HG H 1 1.49 0.02 . 1 . . . . 30 LEU HG . 15134 1 232 . 1 1 30 30 LEU HD11 H 1 0.75 0.02 . 2 . . . . 30 LEU HD1 . 15134 1 233 . 1 1 30 30 LEU HD12 H 1 0.75 0.02 . 2 . . . . 30 LEU HD1 . 15134 1 234 . 1 1 30 30 LEU HD13 H 1 0.75 0.02 . 2 . . . . 30 LEU HD1 . 15134 1 235 . 1 1 30 30 LEU HD21 H 1 0.74 0.02 . 2 . . . . 30 LEU HD2 . 15134 1 236 . 1 1 30 30 LEU HD22 H 1 0.74 0.02 . 2 . . . . 30 LEU HD2 . 15134 1 237 . 1 1 30 30 LEU HD23 H 1 0.74 0.02 . 2 . . . . 30 LEU HD2 . 15134 1 238 . 1 1 30 30 LEU C C 13 175.56 0.15 . 1 . . . . 30 LEU C . 15134 1 239 . 1 1 30 30 LEU CA C 13 53.26 0.15 . 1 . . . . 30 LEU CA . 15134 1 240 . 1 1 30 30 LEU CB C 13 47.08 0.15 . 1 . . . . 30 LEU CB . 15134 1 241 . 1 1 30 30 LEU CG C 13 26.40 0.15 . 1 . . . . 30 LEU CG . 15134 1 242 . 1 1 30 30 LEU CD1 C 13 25.30 0.15 . 2 . . . . 30 LEU CD1 . 15134 1 243 . 1 1 30 30 LEU CD2 C 13 27.00 0.15 . 2 . . . . 30 LEU CD2 . 15134 1 244 . 1 1 30 30 LEU N N 15 125.08 0.1 . 1 . . . . 30 LEU N . 15134 1 245 . 1 1 31 31 ASP H H 1 8.84 0.02 . 1 . . . . 31 ASP H . 15134 1 246 . 1 1 31 31 ASP HA H 1 5.26 0.02 . 1 . . . . 31 ASP HA . 15134 1 247 . 1 1 31 31 ASP HB2 H 1 2.47 0.02 . 2 . . . . 31 ASP HB2 . 15134 1 248 . 1 1 31 31 ASP HB3 H 1 2.78 0.02 . 2 . . . . 31 ASP HB3 . 15134 1 249 . 1 1 31 31 ASP C C 13 176.70 0.15 . 1 . . . . 31 ASP C . 15134 1 250 . 1 1 31 31 ASP CA C 13 53.07 0.15 . 1 . . . . 31 ASP CA . 15134 1 251 . 1 1 31 31 ASP CB C 13 42.59 0.15 . 1 . . . . 31 ASP CB . 15134 1 252 . 1 1 31 31 ASP N N 15 122.26 0.1 . 1 . . . . 31 ASP N . 15134 1 253 . 1 1 32 32 ILE H H 1 8.82 0.02 . 1 . . . . 32 ILE H . 15134 1 254 . 1 1 32 32 ILE HA H 1 4.55 0.02 . 1 . . . . 32 ILE HA . 15134 1 255 . 1 1 32 32 ILE HB H 1 1.37 0.02 . 1 . . . . 32 ILE HB . 15134 1 256 . 1 1 32 32 ILE HG12 H 1 1.49 0.02 . 2 . . . . 32 ILE HG12 . 15134 1 257 . 1 1 32 32 ILE HG13 H 1 0.51 0.02 . 2 . . . . 32 ILE HG13 . 15134 1 258 . 1 1 32 32 ILE HG21 H 1 0.22 0.02 . 1 . . . . 32 ILE HG2 . 15134 1 259 . 1 1 32 32 ILE HG22 H 1 0.22 0.02 . 1 . . . . 32 ILE HG2 . 15134 1 260 . 1 1 32 32 ILE HG23 H 1 0.22 0.02 . 1 . . . . 32 ILE HG2 . 15134 1 261 . 1 1 32 32 ILE HD11 H 1 0.20 0.02 . 1 . . . . 32 ILE HD1 . 15134 1 262 . 1 1 32 32 ILE HD12 H 1 0.20 0.02 . 1 . . . . 32 ILE HD1 . 15134 1 263 . 1 1 32 32 ILE HD13 H 1 0.20 0.02 . 1 . . . . 32 ILE HD1 . 15134 1 264 . 1 1 32 32 ILE C C 13 174.73 0.15 . 1 . . . . 32 ILE C . 15134 1 265 . 1 1 32 32 ILE CA C 13 60.52 0.15 . 1 . . . . 32 ILE CA . 15134 1 266 . 1 1 32 32 ILE CB C 13 39.56 0.15 . 1 . . . . 32 ILE CB . 15134 1 267 . 1 1 32 32 ILE CG1 C 13 27.80 0.15 . 1 . . . . 32 ILE CG1 . 15134 1 268 . 1 1 32 32 ILE CG2 C 13 16.59 0.15 . 1 . . . . 32 ILE CG2 . 15134 1 269 . 1 1 32 32 ILE CD1 C 13 13.20 0.15 . 1 . . . . 32 ILE CD1 . 15134 1 270 . 1 1 32 32 ILE N N 15 129.11 0.1 . 1 . . . . 32 ILE N . 15134 1 271 . 1 1 33 33 LYS H H 1 8.23 0.02 . 1 . . . . 33 LYS H . 15134 1 272 . 1 1 33 33 LYS HA H 1 4.56 0.02 . 1 . . . . 33 LYS HA . 15134 1 273 . 1 1 33 33 LYS HB2 H 1 1.71 0.02 . 1 . . . . 33 LYS HB2 . 15134 1 274 . 1 1 33 33 LYS HB3 H 1 1.71 0.02 . 1 . . . . 33 LYS HB3 . 15134 1 275 . 1 1 33 33 LYS HG2 H 1 1.22 0.02 . 2 . . . . 33 LYS HG2 . 15134 1 276 . 1 1 33 33 LYS HG3 H 1 1.29 0.02 . 2 . . . . 33 LYS HG3 . 15134 1 277 . 1 1 33 33 LYS HD2 H 1 1.57 0.02 . 1 . . . . 33 LYS HD2 . 15134 1 278 . 1 1 33 33 LYS HD3 H 1 1.57 0.02 . 1 . . . . 33 LYS HD3 . 15134 1 279 . 1 1 33 33 LYS HE2 H 1 2.94 0.02 . 1 . . . . 33 LYS HE2 . 15134 1 280 . 1 1 33 33 LYS HE3 H 1 2.94 0.02 . 1 . . . . 33 LYS HE3 . 15134 1 281 . 1 1 33 33 LYS C C 13 173.96 0.15 . 1 . . . . 33 LYS C . 15134 1 282 . 1 1 33 33 LYS CA C 13 54.80 0.15 . 1 . . . . 33 LYS CA . 15134 1 283 . 1 1 33 33 LYS CB C 13 32.46 0.15 . 1 . . . . 33 LYS CB . 15134 1 284 . 1 1 33 33 LYS CG C 13 24.60 0.15 . 1 . . . . 33 LYS CG . 15134 1 285 . 1 1 33 33 LYS CD C 13 28.80 0.15 . 1 . . . . 33 LYS CD . 15134 1 286 . 1 1 33 33 LYS CE C 13 42.10 0.15 . 1 . . . . 33 LYS CE . 15134 1 287 . 1 1 33 33 LYS N N 15 129.15 0.1 . 1 . . . . 33 LYS N . 15134 1 288 . 1 1 34 34 TYR H H 1 8.55 0.02 . 1 . . . . 34 TYR H . 15134 1 289 . 1 1 34 34 TYR HA H 1 4.84 0.02 . 1 . . . . 34 TYR HA . 15134 1 290 . 1 1 34 34 TYR HB2 H 1 2.29 0.02 . 2 . . . . 34 TYR HB2 . 15134 1 291 . 1 1 34 34 TYR HB3 H 1 2.96 0.02 . 2 . . . . 34 TYR HB3 . 15134 1 292 . 1 1 34 34 TYR HD1 H 1 6.62 0.02 . 1 . . . . 34 TYR HD1 . 15134 1 293 . 1 1 34 34 TYR HD2 H 1 6.62 0.02 . 1 . . . . 34 TYR HD2 . 15134 1 294 . 1 1 34 34 TYR HE1 H 1 6.27 0.02 . 1 . . . . 34 TYR HE1 . 15134 1 295 . 1 1 34 34 TYR HE2 H 1 6.27 0.02 . 1 . . . . 34 TYR HE2 . 15134 1 296 . 1 1 34 34 TYR C C 13 174.37 0.15 . 1 . . . . 34 TYR C . 15134 1 297 . 1 1 34 34 TYR CA C 13 56.63 0.15 . 1 . . . . 34 TYR CA . 15134 1 298 . 1 1 34 34 TYR CB C 13 41.78 0.15 . 1 . . . . 34 TYR CB . 15134 1 299 . 1 1 34 34 TYR N N 15 127.82 0.1 . 1 . . . . 34 TYR N . 15134 1 300 . 1 1 35 35 THR H H 1 8.46 0.02 . 1 . . . . 35 THR H . 15134 1 301 . 1 1 35 35 THR HA H 1 4.41 0.02 . 1 . . . . 35 THR HA . 15134 1 302 . 1 1 35 35 THR HB H 1 3.94 0.02 . 1 . . . . 35 THR HB . 15134 1 303 . 1 1 35 35 THR HG21 H 1 1.08 0.02 . 1 . . . . 35 THR HG2 . 15134 1 304 . 1 1 35 35 THR HG22 H 1 1.08 0.02 . 1 . . . . 35 THR HG2 . 15134 1 305 . 1 1 35 35 THR HG23 H 1 1.08 0.02 . 1 . . . . 35 THR HG2 . 15134 1 306 . 1 1 35 35 THR C C 13 172.48 0.15 . 1 . . . . 35 THR C . 15134 1 307 . 1 1 35 35 THR CA C 13 61.23 0.15 . 1 . . . . 35 THR CA . 15134 1 308 . 1 1 35 35 THR CB C 13 70.16 0.15 . 1 . . . . 35 THR CB . 15134 1 309 . 1 1 35 35 THR N N 15 123.25 0.1 . 1 . . . . 35 THR N . 15134 1 310 . 1 1 36 36 ARG H H 1 8.42 0.02 . 1 . . . . 36 ARG H . 15134 1 311 . 1 1 36 36 ARG HA H 1 4.56 0.02 . 1 . . . . 36 ARG HA . 15134 1 312 . 1 1 36 36 ARG HB2 H 1 1.40 0.02 . 1 . . . . 36 ARG HB2 . 15134 1 313 . 1 1 36 36 ARG HB3 H 1 1.40 0.02 . 1 . . . . 36 ARG HB3 . 15134 1 314 . 1 1 36 36 ARG HG2 H 1 1.48 0.02 . 2 . . . . 36 ARG HG2 . 15134 1 315 . 1 1 36 36 ARG HG3 H 1 1.42 0.02 . 2 . . . . 36 ARG HG3 . 15134 1 316 . 1 1 36 36 ARG HD2 H 1 3.02 0.02 . 2 . . . . 36 ARG HD2 . 15134 1 317 . 1 1 36 36 ARG HD3 H 1 3.36 0.02 . 2 . . . . 36 ARG HD3 . 15134 1 318 . 1 1 36 36 ARG CA C 13 53.68 0.15 . 1 . . . . 36 ARG CA . 15134 1 319 . 1 1 36 36 ARG CB C 13 33.45 0.15 . 1 . . . . 36 ARG CB . 15134 1 320 . 1 1 36 36 ARG CG C 13 27.40 0.15 . 1 . . . . 36 ARG CG . 15134 1 321 . 1 1 36 36 ARG CD C 13 43.40 0.15 . 1 . . . . 36 ARG CD . 15134 1 322 . 1 1 36 36 ARG N N 15 126.99 0.1 . 1 . . . . 36 ARG N . 15134 1 323 . 1 1 37 37 PRO HA H 1 4.29 0.02 . 1 . . . . 37 PRO HA . 15134 1 324 . 1 1 37 37 PRO HB2 H 1 1.91 0.02 . 2 . . . . 37 PRO HB2 . 15134 1 325 . 1 1 37 37 PRO HB3 H 1 2.29 0.02 . 2 . . . . 37 PRO HB3 . 15134 1 326 . 1 1 37 37 PRO HG2 H 1 2.10 0.02 . 2 . . . . 37 PRO HG2 . 15134 1 327 . 1 1 37 37 PRO HG3 H 1 1.95 0.02 . 2 . . . . 37 PRO HG3 . 15134 1 328 . 1 1 37 37 PRO HD2 H 1 3.61 0.02 . 2 . . . . 37 PRO HD2 . 15134 1 329 . 1 1 37 37 PRO HD3 H 1 3.72 0.02 . 2 . . . . 37 PRO HD3 . 15134 1 330 . 1 1 37 37 PRO C C 13 177.86 0.15 . 1 . . . . 37 PRO C . 15134 1 331 . 1 1 37 37 PRO CA C 13 64.26 0.15 . 1 . . . . 37 PRO CA . 15134 1 332 . 1 1 37 37 PRO CB C 13 31.69 0.15 . 1 . . . . 37 PRO CB . 15134 1 333 . 1 1 37 37 PRO CG C 13 27.40 0.15 . 1 . . . . 37 PRO CG . 15134 1 334 . 1 1 37 37 PRO CD C 13 50.80 0.15 . 1 . . . . 37 PRO CD . 15134 1 335 . 1 1 38 38 GLY H H 1 8.96 0.02 . 1 . . . . 38 GLY H . 15134 1 336 . 1 1 38 38 GLY HA2 H 1 4.09 0.02 . 2 . . . . 38 GLY HA2 . 15134 1 337 . 1 1 38 38 GLY HA3 H 1 3.81 0.02 . 2 . . . . 38 GLY HA3 . 15134 1 338 . 1 1 38 38 GLY C C 13 173.25 0.15 . 1 . . . . 38 GLY C . 15134 1 339 . 1 1 38 38 GLY CA C 13 45.98 0.15 . 1 . . . . 38 GLY CA . 15134 1 340 . 1 1 38 38 GLY N N 15 112.30 0.1 . 1 . . . . 38 GLY N . 15134 1 341 . 1 1 39 39 ASP H H 1 8.45 0.02 . 1 . . . . 39 ASP H . 15134 1 342 . 1 1 39 39 ASP HA H 1 5.23 0.02 . 1 . . . . 39 ASP HA . 15134 1 343 . 1 1 39 39 ASP HB2 H 1 2.59 0.02 . 2 . . . . 39 ASP HB2 . 15134 1 344 . 1 1 39 39 ASP HB3 H 1 2.67 0.02 . 2 . . . . 39 ASP HB3 . 15134 1 345 . 1 1 39 39 ASP C C 13 175.01 0.15 . 1 . . . . 39 ASP C . 15134 1 346 . 1 1 39 39 ASP CA C 13 51.66 0.15 . 1 . . . . 39 ASP CA . 15134 1 347 . 1 1 39 39 ASP CB C 13 45.12 0.15 . 1 . . . . 39 ASP CB . 15134 1 348 . 1 1 39 39 ASP N N 15 121.36 0.1 . 1 . . . . 39 ASP N . 15134 1 349 . 1 1 40 40 SER H H 1 9.86 0.02 . 1 . . . . 40 SER H . 15134 1 350 . 1 1 40 40 SER HA H 1 4.91 0.02 . 1 . . . . 40 SER HA . 15134 1 351 . 1 1 40 40 SER HB2 H 1 4.07 0.02 . 2 . . . . 40 SER HB2 . 15134 1 352 . 1 1 40 40 SER HB3 H 1 3.96 0.02 . 2 . . . . 40 SER HB3 . 15134 1 353 . 1 1 40 40 SER C C 13 173.05 0.15 . 1 . . . . 40 SER C . 15134 1 354 . 1 1 40 40 SER CA C 13 58.00 0.15 . 1 . . . . 40 SER CA . 15134 1 355 . 1 1 40 40 SER CB C 13 65.30 0.15 . 1 . . . . 40 SER CB . 15134 1 356 . 1 1 40 40 SER N N 15 112.97 0.1 . 1 . . . . 40 SER N . 15134 1 357 . 1 1 41 41 LEU H H 1 8.81 0.02 . 1 . . . . 41 LEU H . 15134 1 358 . 1 1 41 41 LEU HA H 1 3.49 0.02 . 1 . . . . 41 LEU HA . 15134 1 359 . 1 1 41 41 LEU HB2 H 1 1.60 0.02 . 2 . . . . 41 LEU HB2 . 15134 1 360 . 1 1 41 41 LEU HB3 H 1 0.99 0.02 . 2 . . . . 41 LEU HB3 . 15134 1 361 . 1 1 41 41 LEU HG H 1 1.03 0.02 . 1 . . . . 41 LEU HG . 15134 1 362 . 1 1 41 41 LEU HD11 H 1 0.15 0.02 . 2 . . . . 41 LEU HD1 . 15134 1 363 . 1 1 41 41 LEU HD12 H 1 0.15 0.02 . 2 . . . . 41 LEU HD1 . 15134 1 364 . 1 1 41 41 LEU HD13 H 1 0.15 0.02 . 2 . . . . 41 LEU HD1 . 15134 1 365 . 1 1 41 41 LEU HD21 H 1 0.20 0.02 . 2 . . . . 41 LEU HD2 . 15134 1 366 . 1 1 41 41 LEU HD22 H 1 0.20 0.02 . 2 . . . . 41 LEU HD2 . 15134 1 367 . 1 1 41 41 LEU HD23 H 1 0.20 0.02 . 2 . . . . 41 LEU HD2 . 15134 1 368 . 1 1 41 41 LEU C C 13 175.46 0.15 . 1 . . . . 41 LEU C . 15134 1 369 . 1 1 41 41 LEU CA C 13 56.53 0.15 . 1 . . . . 41 LEU CA . 15134 1 370 . 1 1 41 41 LEU CB C 13 42.65 0.15 . 1 . . . . 41 LEU CB . 15134 1 371 . 1 1 41 41 LEU CG C 13 26.10 0.15 . 1 . . . . 41 LEU CG . 15134 1 372 . 1 1 41 41 LEU CD1 C 13 23.30 0.15 . 2 . . . . 41 LEU CD1 . 15134 1 373 . 1 1 41 41 LEU CD2 C 13 25.00 0.15 . 2 . . . . 41 LEU CD2 . 15134 1 374 . 1 1 41 41 LEU N N 15 123.47 0.1 . 1 . . . . 41 LEU N . 15134 1 375 . 1 1 42 42 ALA H H 1 8.67 0.02 . 1 . . . . 42 ALA H . 15134 1 376 . 1 1 42 42 ALA HA H 1 4.87 0.02 . 1 . . . . 42 ALA HA . 15134 1 377 . 1 1 42 42 ALA HB1 H 1 1.32 0.02 . 1 . . . . 42 ALA HB . 15134 1 378 . 1 1 42 42 ALA HB2 H 1 1.32 0.02 . 1 . . . . 42 ALA HB . 15134 1 379 . 1 1 42 42 ALA HB3 H 1 1.32 0.02 . 1 . . . . 42 ALA HB . 15134 1 380 . 1 1 42 42 ALA C C 13 176.67 0.15 . 1 . . . . 42 ALA C . 15134 1 381 . 1 1 42 42 ALA CA C 13 53.47 0.15 . 1 . . . . 42 ALA CA . 15134 1 382 . 1 1 42 42 ALA CB C 13 21.41 0.15 . 1 . . . . 42 ALA CB . 15134 1 383 . 1 1 42 42 ALA N N 15 126.73 0.1 . 1 . . . . 42 ALA N . 15134 1 384 . 1 1 43 43 GLU H H 1 8.16 0.02 . 1 . . . . 43 GLU H . 15134 1 385 . 1 1 43 43 GLU HA H 1 4.84 0.02 . 1 . . . . 43 GLU HA . 15134 1 386 . 1 1 43 43 GLU HB2 H 1 1.86 0.02 . 2 . . . . 43 GLU HB2 . 15134 1 387 . 1 1 43 43 GLU HB3 H 1 2.15 0.02 . 2 . . . . 43 GLU HB3 . 15134 1 388 . 1 1 43 43 GLU HG2 H 1 2.33 0.02 . 1 . . . . 43 GLU HG2 . 15134 1 389 . 1 1 43 43 GLU HG3 H 1 2.33 0.02 . 1 . . . . 43 GLU HG3 . 15134 1 390 . 1 1 43 43 GLU C C 13 173.85 0.15 . 1 . . . . 43 GLU C . 15134 1 391 . 1 1 43 43 GLU CA C 13 55.53 0.15 . 1 . . . . 43 GLU CA . 15134 1 392 . 1 1 43 43 GLU CB C 13 34.96 0.15 . 1 . . . . 43 GLU CB . 15134 1 393 . 1 1 43 43 GLU CG C 13 36.00 0.15 . 1 . . . . 43 GLU CG . 15134 1 394 . 1 1 43 43 GLU N N 15 115.46 0.1 . 1 . . . . 43 GLU N . 15134 1 395 . 1 1 44 44 VAL H H 1 8.30 0.02 . 1 . . . . 44 VAL H . 15134 1 396 . 1 1 44 44 VAL HA H 1 4.61 0.02 . 1 . . . . 44 VAL HA . 15134 1 397 . 1 1 44 44 VAL HB H 1 1.20 0.02 . 1 . . . . 44 VAL HB . 15134 1 398 . 1 1 44 44 VAL HG11 H 1 0.48 0.02 . 2 . . . . 44 VAL HG1 . 15134 1 399 . 1 1 44 44 VAL HG12 H 1 0.48 0.02 . 2 . . . . 44 VAL HG1 . 15134 1 400 . 1 1 44 44 VAL HG13 H 1 0.48 0.02 . 2 . . . . 44 VAL HG1 . 15134 1 401 . 1 1 44 44 VAL HG21 H 1 -0.44 0.02 . 2 . . . . 44 VAL HG2 . 15134 1 402 . 1 1 44 44 VAL HG22 H 1 -0.44 0.02 . 2 . . . . 44 VAL HG2 . 15134 1 403 . 1 1 44 44 VAL HG23 H 1 -0.44 0.02 . 2 . . . . 44 VAL HG2 . 15134 1 404 . 1 1 44 44 VAL C C 13 173.86 0.15 . 1 . . . . 44 VAL C . 15134 1 405 . 1 1 44 44 VAL CA C 13 60.91 0.15 . 1 . . . . 44 VAL CA . 15134 1 406 . 1 1 44 44 VAL CB C 13 34.94 0.15 . 1 . . . . 44 VAL CB . 15134 1 407 . 1 1 44 44 VAL CG1 C 13 21.40 0.15 . 2 . . . . 44 VAL CG1 . 15134 1 408 . 1 1 44 44 VAL CG2 C 13 20.78 0.15 . 2 . . . . 44 VAL CG2 . 15134 1 409 . 1 1 44 44 VAL N N 15 119.98 0.1 . 1 . . . . 44 VAL N . 15134 1 410 . 1 1 45 45 GLU H H 1 9.08 0.02 . 1 . . . . 45 GLU H . 15134 1 411 . 1 1 45 45 GLU HA H 1 5.24 0.02 . 1 . . . . 45 GLU HA . 15134 1 412 . 1 1 45 45 GLU HB2 H 1 2.02 0.02 . 2 . . . . 45 GLU HB2 . 15134 1 413 . 1 1 45 45 GLU HB3 H 1 2.11 0.02 . 2 . . . . 45 GLU HB3 . 15134 1 414 . 1 1 45 45 GLU HG2 H 1 2.16 0.02 . 1 . . . . 45 GLU HG2 . 15134 1 415 . 1 1 45 45 GLU HG3 H 1 2.16 0.02 . 1 . . . . 45 GLU HG3 . 15134 1 416 . 1 1 45 45 GLU C C 13 173.95 0.15 . 1 . . . . 45 GLU C . 15134 1 417 . 1 1 45 45 GLU CA C 13 54.42 0.15 . 1 . . . . 45 GLU CA . 15134 1 418 . 1 1 45 45 GLU CB C 13 36.46 0.15 . 1 . . . . 45 GLU CB . 15134 1 419 . 1 1 45 45 GLU CG C 13 36.60 0.15 . 1 . . . . 45 GLU CG . 15134 1 420 . 1 1 45 45 GLU N N 15 123.94 0.1 . 1 . . . . 45 GLU N . 15134 1 421 . 1 1 46 46 LEU H H 1 9.38 0.02 . 1 . . . . 46 LEU H . 15134 1 422 . 1 1 46 46 LEU HA H 1 5.15 0.02 . 1 . . . . 46 LEU HA . 15134 1 423 . 1 1 46 46 LEU HB2 H 1 1.34 0.02 . 2 . . . . 46 LEU HB2 . 15134 1 424 . 1 1 46 46 LEU HB3 H 1 1.48 0.02 . 2 . . . . 46 LEU HB3 . 15134 1 425 . 1 1 46 46 LEU HG H 1 1.26 0.02 . 1 . . . . 46 LEU HG . 15134 1 426 . 1 1 46 46 LEU HD11 H 1 0.60 0.02 . 2 . . . . 46 LEU HD1 . 15134 1 427 . 1 1 46 46 LEU HD12 H 1 0.60 0.02 . 2 . . . . 46 LEU HD1 . 15134 1 428 . 1 1 46 46 LEU HD13 H 1 0.60 0.02 . 2 . . . . 46 LEU HD1 . 15134 1 429 . 1 1 46 46 LEU HD21 H 1 0.40 0.02 . 2 . . . . 46 LEU HD2 . 15134 1 430 . 1 1 46 46 LEU HD22 H 1 0.40 0.02 . 2 . . . . 46 LEU HD2 . 15134 1 431 . 1 1 46 46 LEU HD23 H 1 0.40 0.02 . 2 . . . . 46 LEU HD2 . 15134 1 432 . 1 1 46 46 LEU C C 13 174.34 0.15 . 1 . . . . 46 LEU C . 15134 1 433 . 1 1 46 46 LEU CA C 13 53.00 0.15 . 1 . . . . 46 LEU CA . 15134 1 434 . 1 1 46 46 LEU CB C 13 46.83 0.15 . 1 . . . . 46 LEU CB . 15134 1 435 . 1 1 46 46 LEU CG C 13 27.20 0.15 . 1 . . . . 46 LEU CG . 15134 1 436 . 1 1 46 46 LEU CD1 C 13 26.80 0.15 . 2 . . . . 46 LEU CD1 . 15134 1 437 . 1 1 46 46 LEU CD2 C 13 25.50 0.15 . 2 . . . . 46 LEU CD2 . 15134 1 438 . 1 1 46 46 LEU N N 15 123.79 0.1 . 1 . . . . 46 LEU N . 15134 1 439 . 1 1 47 47 ARG H H 1 8.60 0.02 . 1 . . . . 47 ARG H . 15134 1 440 . 1 1 47 47 ARG HA H 1 4.73 0.02 . 1 . . . . 47 ARG HA . 15134 1 441 . 1 1 47 47 ARG HB2 H 1 -0.76 0.02 . 2 . . . . 47 ARG HB2 . 15134 1 442 . 1 1 47 47 ARG HB3 H 1 0.50 0.02 . 2 . . . . 47 ARG HB3 . 15134 1 443 . 1 1 47 47 ARG HG2 H 1 0.53 0.02 . 2 . . . . 47 ARG HG2 . 15134 1 444 . 1 1 47 47 ARG HG3 H 1 1.16 0.02 . 2 . . . . 47 ARG HG3 . 15134 1 445 . 1 1 47 47 ARG HD2 H 1 2.90 0.02 . 2 . . . . 47 ARG HD2 . 15134 1 446 . 1 1 47 47 ARG HD3 H 1 1.26 0.02 . 2 . . . . 47 ARG HD3 . 15134 1 447 . 1 1 47 47 ARG HE H 1 5.86 0.02 . 1 . . . . 47 ARG HE . 15134 1 448 . 1 1 47 47 ARG C C 13 176.85 0.15 . 1 . . . . 47 ARG C . 15134 1 449 . 1 1 47 47 ARG CA C 13 54.79 0.15 . 1 . . . . 47 ARG CA . 15134 1 450 . 1 1 47 47 ARG CB C 13 32.55 0.15 . 1 . . . . 47 ARG CB . 15134 1 451 . 1 1 47 47 ARG CG C 13 25.89 0.15 . 1 . . . . 47 ARG CG . 15134 1 452 . 1 1 47 47 ARG CD C 13 43.18 0.15 . 1 . . . . 47 ARG CD . 15134 1 453 . 1 1 47 47 ARG N N 15 126.99 0.1 . 1 . . . . 47 ARG N . 15134 1 454 . 1 1 48 48 GLN H H 1 9.41 0.02 . 1 . . . . 48 GLN H . 15134 1 455 . 1 1 48 48 GLN HA H 1 4.23 0.02 . 1 . . . . 48 GLN HA . 15134 1 456 . 1 1 48 48 GLN HB2 H 1 1.73 0.02 . 2 . . . . 48 GLN HB2 . 15134 1 457 . 1 1 48 48 GLN HB3 H 1 2.95 0.02 . 2 . . . . 48 GLN HB3 . 15134 1 458 . 1 1 48 48 GLN HG2 H 1 2.47 0.02 . 2 . . . . 48 GLN HG2 . 15134 1 459 . 1 1 48 48 GLN HG3 H 1 1.96 0.02 . 2 . . . . 48 GLN HG3 . 15134 1 460 . 1 1 48 48 GLN HE21 H 1 9.51 0.02 . 1 . . . . 48 GLN HE21 . 15134 1 461 . 1 1 48 48 GLN HE22 H 1 7.04 0.02 . 1 . . . . 48 GLN HE22 . 15134 1 462 . 1 1 48 48 GLN C C 13 175.13 0.15 . 1 . . . . 48 GLN C . 15134 1 463 . 1 1 48 48 GLN CA C 13 57.22 0.15 . 1 . . . . 48 GLN CA . 15134 1 464 . 1 1 48 48 GLN CB C 13 30.80 0.15 . 1 . . . . 48 GLN CB . 15134 1 465 . 1 1 48 48 GLN CG C 13 36.90 0.15 . 1 . . . . 48 GLN CG . 15134 1 466 . 1 1 48 48 GLN N N 15 128.67 0.1 . 1 . . . . 48 GLN N . 15134 1 467 . 1 1 48 48 GLN NE2 N 15 119.00 0.1 . 1 . . . . 48 GLN NE2 . 15134 1 468 . 1 1 49 49 HIS H H 1 8.07 0.02 . 1 . . . . 49 HIS H . 15134 1 469 . 1 1 49 49 HIS HA H 1 4.10 0.02 . 1 . . . . 49 HIS HA . 15134 1 470 . 1 1 49 49 HIS HB2 H 1 2.52 0.02 . 2 . . . . 49 HIS HB2 . 15134 1 471 . 1 1 49 49 HIS HB3 H 1 2.87 0.02 . 2 . . . . 49 HIS HB3 . 15134 1 472 . 1 1 49 49 HIS HD2 H 1 6.86 0.02 . 1 . . . . 49 HIS HD2 . 15134 1 473 . 1 1 49 49 HIS C C 13 176.95 0.15 . 1 . . . . 49 HIS C . 15134 1 474 . 1 1 49 49 HIS CA C 13 58.60 0.15 . 1 . . . . 49 HIS CA . 15134 1 475 . 1 1 49 49 HIS CB C 13 30.06 0.15 . 1 . . . . 49 HIS CB . 15134 1 476 . 1 1 49 49 HIS CD2 C 13 120.75 0.15 . 1 . . . . 49 HIS CD2 . 15134 1 477 . 1 1 49 49 HIS N N 15 120.84 0.1 . 1 . . . . 49 HIS N . 15134 1 478 . 1 1 50 50 GLY H H 1 8.31 0.02 . 1 . . . . 50 GLY H . 15134 1 479 . 1 1 50 50 GLY HA2 H 1 3.31 0.02 . 2 . . . . 50 GLY HA2 . 15134 1 480 . 1 1 50 50 GLY HA3 H 1 3.81 0.02 . 2 . . . . 50 GLY HA3 . 15134 1 481 . 1 1 50 50 GLY C C 13 173.22 0.15 . 1 . . . . 50 GLY C . 15134 1 482 . 1 1 50 50 GLY CA C 13 45.04 0.15 . 1 . . . . 50 GLY CA . 15134 1 483 . 1 1 50 50 GLY N N 15 114.34 0.1 . 1 . . . . 50 GLY N . 15134 1 484 . 1 1 51 51 SER H H 1 7.48 0.02 . 1 . . . . 51 SER H . 15134 1 485 . 1 1 51 51 SER HA H 1 4.61 0.02 . 1 . . . . 51 SER HA . 15134 1 486 . 1 1 51 51 SER HB2 H 1 3.76 0.02 . 2 . . . . 51 SER HB2 . 15134 1 487 . 1 1 51 51 SER HB3 H 1 3.54 0.02 . 2 . . . . 51 SER HB3 . 15134 1 488 . 1 1 51 51 SER C C 13 174.39 0.15 . 1 . . . . 51 SER C . 15134 1 489 . 1 1 51 51 SER CA C 13 55.28 0.15 . 1 . . . . 51 SER CA . 15134 1 490 . 1 1 51 51 SER CB C 13 64.98 0.15 . 1 . . . . 51 SER CB . 15134 1 491 . 1 1 51 51 SER N N 15 113.39 0.1 . 1 . . . . 51 SER N . 15134 1 492 . 1 1 52 52 GLU H H 1 8.79 0.02 . 1 . . . . 52 GLU H . 15134 1 493 . 1 1 52 52 GLU HA H 1 4.28 0.02 . 1 . . . . 52 GLU HA . 15134 1 494 . 1 1 52 52 GLU HB2 H 1 1.77 0.02 . 2 . . . . 52 GLU HB2 . 15134 1 495 . 1 1 52 52 GLU HB3 H 1 2.19 0.02 . 2 . . . . 52 GLU HB3 . 15134 1 496 . 1 1 52 52 GLU HG2 H 1 2.14 0.02 . 2 . . . . 52 GLU HG2 . 15134 1 497 . 1 1 52 52 GLU HG3 H 1 2.23 0.02 . 2 . . . . 52 GLU HG3 . 15134 1 498 . 1 1 52 52 GLU C C 13 176.07 0.15 . 1 . . . . 52 GLU C . 15134 1 499 . 1 1 52 52 GLU CA C 13 55.82 0.15 . 1 . . . . 52 GLU CA . 15134 1 500 . 1 1 52 52 GLU CB C 13 30.74 0.15 . 1 . . . . 52 GLU CB . 15134 1 501 . 1 1 52 52 GLU CG C 13 36.40 0.15 . 1 . . . . 52 GLU CG . 15134 1 502 . 1 1 52 52 GLU N N 15 122.77 0.1 . 1 . . . . 52 GLU N . 15134 1 503 . 1 1 53 53 GLU H H 1 8.08 0.02 . 1 . . . . 53 GLU H . 15134 1 504 . 1 1 53 53 GLU HA H 1 4.33 0.02 . 1 . . . . 53 GLU HA . 15134 1 505 . 1 1 53 53 GLU HB2 H 1 1.92 0.02 . 2 . . . . 53 GLU HB2 . 15134 1 506 . 1 1 53 53 GLU HB3 H 1 1.83 0.02 . 2 . . . . 53 GLU HB3 . 15134 1 507 . 1 1 53 53 GLU HG2 H 1 2.14 0.02 . 2 . . . . 53 GLU HG2 . 15134 1 508 . 1 1 53 53 GLU HG3 H 1 2.24 0.02 . 2 . . . . 53 GLU HG3 . 15134 1 509 . 1 1 53 53 GLU C C 13 174.90 0.15 . 1 . . . . 53 GLU C . 15134 1 510 . 1 1 53 53 GLU CA C 13 55.74 0.15 . 1 . . . . 53 GLU CA . 15134 1 511 . 1 1 53 53 GLU CB C 13 31.46 0.15 . 1 . . . . 53 GLU CB . 15134 1 512 . 1 1 53 53 GLU CG C 13 36.10 0.15 . 1 . . . . 53 GLU CG . 15134 1 513 . 1 1 53 53 GLU N N 15 120.30 0.1 . 1 . . . . 53 GLU N . 15134 1 514 . 1 1 54 54 TRP H H 1 8.65 0.02 . 1 . . . . 54 TRP H . 15134 1 515 . 1 1 54 54 TRP HA H 1 4.71 0.02 . 1 . . . . 54 TRP HA . 15134 1 516 . 1 1 54 54 TRP HB2 H 1 2.88 0.02 . 1 . . . . 54 TRP HB2 . 15134 1 517 . 1 1 54 54 TRP HB3 H 1 2.88 0.02 . 1 . . . . 54 TRP HB3 . 15134 1 518 . 1 1 54 54 TRP HD1 H 1 7.21 0.02 . 1 . . . . 54 TRP HD1 . 15134 1 519 . 1 1 54 54 TRP HE1 H 1 9.95 0.02 . 1 . . . . 54 TRP HE1 . 15134 1 520 . 1 1 54 54 TRP HE3 H 1 6.99 0.02 . 1 . . . . 54 TRP HE3 . 15134 1 521 . 1 1 54 54 TRP HZ2 H 1 7.47 0.02 . 1 . . . . 54 TRP HZ2 . 15134 1 522 . 1 1 54 54 TRP HZ3 H 1 6.67 0.02 . 1 . . . . 54 TRP HZ3 . 15134 1 523 . 1 1 54 54 TRP HH2 H 1 6.88 0.02 . 1 . . . . 54 TRP HH2 . 15134 1 524 . 1 1 54 54 TRP C C 13 176.59 0.15 . 1 . . . . 54 TRP C . 15134 1 525 . 1 1 54 54 TRP CA C 13 56.30 0.15 . 1 . . . . 54 TRP CA . 15134 1 526 . 1 1 54 54 TRP CB C 13 30.28 0.15 . 1 . . . . 54 TRP CB . 15134 1 527 . 1 1 54 54 TRP N N 15 125.21 0.1 . 1 . . . . 54 TRP N . 15134 1 528 . 1 1 54 54 TRP NE1 N 15 128.78 0.1 . 1 . . . . 54 TRP NE1 . 15134 1 529 . 1 1 55 55 GLU H H 1 10.30 0.02 . 1 . . . . 55 GLU H . 15134 1 530 . 1 1 55 55 GLU HA H 1 5.01 0.02 . 1 . . . . 55 GLU HA . 15134 1 531 . 1 1 55 55 GLU HB2 H 1 2.16 0.02 . 1 . . . . 55 GLU HB2 . 15134 1 532 . 1 1 55 55 GLU HB3 H 1 2.16 0.02 . 1 . . . . 55 GLU HB3 . 15134 1 533 . 1 1 55 55 GLU HG2 H 1 2.16 0.02 . 1 . . . . 55 GLU HG2 . 15134 1 534 . 1 1 55 55 GLU HG3 H 1 2.16 0.02 . 1 . . . . 55 GLU HG3 . 15134 1 535 . 1 1 55 55 GLU CA C 13 53.31 0.15 . 1 . . . . 55 GLU CA . 15134 1 536 . 1 1 55 55 GLU CB C 13 31.08 0.15 . 1 . . . . 55 GLU CB . 15134 1 537 . 1 1 55 55 GLU CG C 13 37.00 0.15 . 1 . . . . 55 GLU CG . 15134 1 538 . 1 1 55 55 GLU N N 15 127.33 0.1 . 1 . . . . 55 GLU N . 15134 1 539 . 1 1 56 56 PRO HA H 1 4.76 0.02 . 1 . . . . 56 PRO HA . 15134 1 540 . 1 1 56 56 PRO HB2 H 1 2.06 0.02 . 2 . . . . 56 PRO HB2 . 15134 1 541 . 1 1 56 56 PRO HB3 H 1 2.55 0.02 . 2 . . . . 56 PRO HB3 . 15134 1 542 . 1 1 56 56 PRO HG2 H 1 2.29 0.02 . 2 . . . . 56 PRO HG2 . 15134 1 543 . 1 1 56 56 PRO HG3 H 1 2.22 0.02 . 2 . . . . 56 PRO HG3 . 15134 1 544 . 1 1 56 56 PRO HD2 H 1 4.13 0.02 . 2 . . . . 56 PRO HD2 . 15134 1 545 . 1 1 56 56 PRO HD3 H 1 4.03 0.02 . 2 . . . . 56 PRO HD3 . 15134 1 546 . 1 1 56 56 PRO C C 13 177.36 0.15 . 1 . . . . 56 PRO C . 15134 1 547 . 1 1 56 56 PRO CA C 13 63.87 0.15 . 1 . . . . 56 PRO CA . 15134 1 548 . 1 1 56 56 PRO CB C 13 32.54 0.15 . 1 . . . . 56 PRO CB . 15134 1 549 . 1 1 56 56 PRO CG C 13 27.60 0.15 . 1 . . . . 56 PRO CG . 15134 1 550 . 1 1 56 56 PRO CD C 13 51.10 0.15 . 1 . . . . 56 PRO CD . 15134 1 551 . 1 1 57 57 LEU H H 1 8.97 0.02 . 1 . . . . 57 LEU H . 15134 1 552 . 1 1 57 57 LEU HA H 1 4.91 0.02 . 1 . . . . 57 LEU HA . 15134 1 553 . 1 1 57 57 LEU HB2 H 1 2.02 0.02 . 2 . . . . 57 LEU HB2 . 15134 1 554 . 1 1 57 57 LEU HB3 H 1 1.76 0.02 . 2 . . . . 57 LEU HB3 . 15134 1 555 . 1 1 57 57 LEU HG H 1 1.80 0.02 . 1 . . . . 57 LEU HG . 15134 1 556 . 1 1 57 57 LEU HD11 H 1 1.00 0.02 . 2 . . . . 57 LEU HD1 . 15134 1 557 . 1 1 57 57 LEU HD12 H 1 1.00 0.02 . 2 . . . . 57 LEU HD1 . 15134 1 558 . 1 1 57 57 LEU HD13 H 1 1.00 0.02 . 2 . . . . 57 LEU HD1 . 15134 1 559 . 1 1 57 57 LEU HD21 H 1 0.86 0.02 . 2 . . . . 57 LEU HD2 . 15134 1 560 . 1 1 57 57 LEU HD22 H 1 0.86 0.02 . 2 . . . . 57 LEU HD2 . 15134 1 561 . 1 1 57 57 LEU HD23 H 1 0.86 0.02 . 2 . . . . 57 LEU HD2 . 15134 1 562 . 1 1 57 57 LEU C C 13 176.89 0.15 . 1 . . . . 57 LEU C . 15134 1 563 . 1 1 57 57 LEU CA C 13 56.05 0.15 . 1 . . . . 57 LEU CA . 15134 1 564 . 1 1 57 57 LEU CB C 13 43.29 0.15 . 1 . . . . 57 LEU CB . 15134 1 565 . 1 1 57 57 LEU CG C 13 31.30 0.15 . 1 . . . . 57 LEU CG . 15134 1 566 . 1 1 57 57 LEU CD1 C 13 26.00 0.15 . 2 . . . . 57 LEU CD1 . 15134 1 567 . 1 1 57 57 LEU CD2 C 13 27.10 0.15 . 2 . . . . 57 LEU CD2 . 15134 1 568 . 1 1 57 57 LEU N N 15 123.76 0.1 . 1 . . . . 57 LEU N . 15134 1 569 . 1 1 58 58 THR H H 1 9.35 0.02 . 1 . . . . 58 THR H . 15134 1 570 . 1 1 58 58 THR HA H 1 4.68 0.02 . 1 . . . . 58 THR HA . 15134 1 571 . 1 1 58 58 THR HB H 1 4.05 0.02 . 1 . . . . 58 THR HB . 15134 1 572 . 1 1 58 58 THR HG21 H 1 1.22 0.02 . 1 . . . . 58 THR HG2 . 15134 1 573 . 1 1 58 58 THR HG22 H 1 1.22 0.02 . 1 . . . . 58 THR HG2 . 15134 1 574 . 1 1 58 58 THR HG23 H 1 1.22 0.02 . 1 . . . . 58 THR HG2 . 15134 1 575 . 1 1 58 58 THR C C 13 173.37 0.15 . 1 . . . . 58 THR C . 15134 1 576 . 1 1 58 58 THR CA C 13 61.74 0.15 . 1 . . . . 58 THR CA . 15134 1 577 . 1 1 58 58 THR CB C 13 71.12 0.15 . 1 . . . . 58 THR CB . 15134 1 578 . 1 1 58 58 THR N N 15 117.03 0.1 . 1 . . . . 58 THR N . 15134 1 579 . 1 1 59 59 LYS H H 1 8.80 0.02 . 1 . . . . 59 LYS H . 15134 1 580 . 1 1 59 59 LYS HA H 1 3.77 0.02 . 1 . . . . 59 LYS HA . 15134 1 581 . 1 1 59 59 LYS HB2 H 1 -0.06 0.02 . 2 . . . . 59 LYS HB2 . 15134 1 582 . 1 1 59 59 LYS HB3 H 1 1.22 0.02 . 2 . . . . 59 LYS HB3 . 15134 1 583 . 1 1 59 59 LYS HG2 H 1 -0.10 0.02 . 2 . . . . 59 LYS HG2 . 15134 1 584 . 1 1 59 59 LYS HG3 H 1 0.61 0.02 . 2 . . . . 59 LYS HG3 . 15134 1 585 . 1 1 59 59 LYS HD2 H 1 1.00 0.02 . 1 . . . . 59 LYS HD2 . 15134 1 586 . 1 1 59 59 LYS HD3 H 1 1.00 0.02 . 1 . . . . 59 LYS HD3 . 15134 1 587 . 1 1 59 59 LYS HE2 H 1 2.65 0.02 . 2 . . . . 59 LYS HE2 . 15134 1 588 . 1 1 59 59 LYS HE3 H 1 2.74 0.02 . 2 . . . . 59 LYS HE3 . 15134 1 589 . 1 1 59 59 LYS C C 13 175.56 0.15 . 1 . . . . 59 LYS C . 15134 1 590 . 1 1 59 59 LYS CA C 13 56.38 0.15 . 1 . . . . 59 LYS CA . 15134 1 591 . 1 1 59 59 LYS CB C 13 31.44 0.15 . 1 . . . . 59 LYS CB . 15134 1 592 . 1 1 59 59 LYS CG C 13 24.20 0.15 . 1 . . . . 59 LYS CG . 15134 1 593 . 1 1 59 59 LYS CD C 13 28.81 0.15 . 1 . . . . 59 LYS CD . 15134 1 594 . 1 1 59 59 LYS CE C 13 42.10 0.15 . 1 . . . . 59 LYS CE . 15134 1 595 . 1 1 59 59 LYS N N 15 130.46 0.1 . 1 . . . . 59 LYS N . 15134 1 596 . 1 1 60 60 LYS H H 1 8.82 0.02 . 1 . . . . 60 LYS H . 15134 1 597 . 1 1 60 60 LYS HA H 1 4.39 0.02 . 1 . . . . 60 LYS HA . 15134 1 598 . 1 1 60 60 LYS HB2 H 1 1.59 0.02 . 2 . . . . 60 LYS HB2 . 15134 1 599 . 1 1 60 60 LYS HB3 H 1 1.42 0.02 . 2 . . . . 60 LYS HB3 . 15134 1 600 . 1 1 60 60 LYS HG2 H 1 1.17 0.02 . 2 . . . . 60 LYS HG2 . 15134 1 601 . 1 1 60 60 LYS HG3 H 1 1.27 0.02 . 2 . . . . 60 LYS HG3 . 15134 1 602 . 1 1 60 60 LYS HE2 H 1 2.87 0.02 . 1 . . . . 60 LYS HE2 . 15134 1 603 . 1 1 60 60 LYS HE3 H 1 2.87 0.02 . 1 . . . . 60 LYS HE3 . 15134 1 604 . 1 1 60 60 LYS C C 13 175.98 0.15 . 1 . . . . 60 LYS C . 15134 1 605 . 1 1 60 60 LYS CA C 13 54.40 0.15 . 1 . . . . 60 LYS CA . 15134 1 606 . 1 1 60 60 LYS CB C 13 33.13 0.15 . 1 . . . . 60 LYS CB . 15134 1 607 . 1 1 60 60 LYS CG C 13 24.20 0.15 . 1 . . . . 60 LYS CG . 15134 1 608 . 1 1 60 60 LYS N N 15 131.69 0.1 . 1 . . . . 60 LYS N . 15134 1 609 . 1 1 61 61 GLY H H 1 8.71 0.02 . 1 . . . . 61 GLY H . 15134 1 610 . 1 1 61 61 GLY HA2 H 1 3.52 0.02 . 2 . . . . 61 GLY HA2 . 15134 1 611 . 1 1 61 61 GLY HA3 H 1 3.94 0.02 . 2 . . . . 61 GLY HA3 . 15134 1 612 . 1 1 61 61 GLY CA C 13 47.07 0.15 . 1 . . . . 61 GLY CA . 15134 1 613 . 1 1 61 61 GLY N N 15 115.06 0.1 . 1 . . . . 61 GLY N . 15134 1 614 . 1 1 62 62 ASN H H 1 8.77 0.02 . 1 . . . . 62 ASN H . 15134 1 615 . 1 1 62 62 ASN HA H 1 4.73 0.02 . 1 . . . . 62 ASN HA . 15134 1 616 . 1 1 62 62 ASN HB2 H 1 2.96 0.02 . 2 . . . . 62 ASN HB2 . 15134 1 617 . 1 1 62 62 ASN HB3 H 1 2.78 0.02 . 2 . . . . 62 ASN HB3 . 15134 1 618 . 1 1 62 62 ASN C C 13 174.91 0.15 . 1 . . . . 62 ASN C . 15134 1 619 . 1 1 62 62 ASN CA C 13 53.35 0.15 . 1 . . . . 62 ASN CA . 15134 1 620 . 1 1 62 62 ASN CB C 13 39.27 0.15 . 1 . . . . 62 ASN CB . 15134 1 621 . 1 1 63 63 VAL H H 1 7.50 0.02 . 1 . . . . 63 VAL H . 15134 1 622 . 1 1 63 63 VAL HA H 1 5.01 0.02 . 1 . . . . 63 VAL HA . 15134 1 623 . 1 1 63 63 VAL HB H 1 2.12 0.02 . 1 . . . . 63 VAL HB . 15134 1 624 . 1 1 63 63 VAL HG11 H 1 0.86 0.02 . 2 . . . . 63 VAL HG1 . 15134 1 625 . 1 1 63 63 VAL HG12 H 1 0.86 0.02 . 2 . . . . 63 VAL HG1 . 15134 1 626 . 1 1 63 63 VAL HG13 H 1 0.86 0.02 . 2 . . . . 63 VAL HG1 . 15134 1 627 . 1 1 63 63 VAL HG21 H 1 0.85 0.02 . 2 . . . . 63 VAL HG2 . 15134 1 628 . 1 1 63 63 VAL HG22 H 1 0.85 0.02 . 2 . . . . 63 VAL HG2 . 15134 1 629 . 1 1 63 63 VAL HG23 H 1 0.85 0.02 . 2 . . . . 63 VAL HG2 . 15134 1 630 . 1 1 63 63 VAL C C 13 172.81 0.15 . 1 . . . . 63 VAL C . 15134 1 631 . 1 1 63 63 VAL CA C 13 59.66 0.15 . 1 . . . . 63 VAL CA . 15134 1 632 . 1 1 63 63 VAL CB C 13 35.29 0.15 . 1 . . . . 63 VAL CB . 15134 1 633 . 1 1 63 63 VAL CG1 C 13 18.09 0.15 . 2 . . . . 63 VAL CG1 . 15134 1 634 . 1 1 63 63 VAL CG2 C 13 21.90 0.15 . 2 . . . . 63 VAL CG2 . 15134 1 635 . 1 1 63 63 VAL N N 15 112.65 0.1 . 1 . . . . 63 VAL N . 15134 1 636 . 1 1 64 64 TRP H H 1 9.09 0.02 . 1 . . . . 64 TRP H . 15134 1 637 . 1 1 64 64 TRP HA H 1 5.20 0.02 . 1 . . . . 64 TRP HA . 15134 1 638 . 1 1 64 64 TRP HB2 H 1 2.79 0.02 . 2 . . . . 64 TRP HB2 . 15134 1 639 . 1 1 64 64 TRP HB3 H 1 3.12 0.02 . 2 . . . . 64 TRP HB3 . 15134 1 640 . 1 1 64 64 TRP HD1 H 1 7.31 0.02 . 1 . . . . 64 TRP HD1 . 15134 1 641 . 1 1 64 64 TRP HE1 H 1 10.33 0.02 . 1 . . . . 64 TRP HE1 . 15134 1 642 . 1 1 64 64 TRP HE3 H 1 7.11 0.02 . 1 . . . . 64 TRP HE3 . 15134 1 643 . 1 1 64 64 TRP HZ2 H 1 7.19 0.02 . 1 . . . . 64 TRP HZ2 . 15134 1 644 . 1 1 64 64 TRP HZ3 H 1 7.22 0.02 . 1 . . . . 64 TRP HZ3 . 15134 1 645 . 1 1 64 64 TRP HH2 H 1 6.99 0.02 . 1 . . . . 64 TRP HH2 . 15134 1 646 . 1 1 64 64 TRP C C 13 175.68 0.15 . 1 . . . . 64 TRP C . 15134 1 647 . 1 1 64 64 TRP CA C 13 55.72 0.15 . 1 . . . . 64 TRP CA . 15134 1 648 . 1 1 64 64 TRP CB C 13 32.76 0.15 . 1 . . . . 64 TRP CB . 15134 1 649 . 1 1 64 64 TRP N N 15 119.96 0.1 . 1 . . . . 64 TRP N . 15134 1 650 . 1 1 64 64 TRP NE1 N 15 129.43 0.1 . 1 . . . . 64 TRP NE1 . 15134 1 651 . 1 1 65 65 GLU H H 1 9.32 0.02 . 1 . . . . 65 GLU H . 15134 1 652 . 1 1 65 65 GLU HA H 1 5.97 0.02 . 1 . . . . 65 GLU HA . 15134 1 653 . 1 1 65 65 GLU HB2 H 1 1.95 0.02 . 1 . . . . 65 GLU HB2 . 15134 1 654 . 1 1 65 65 GLU HB3 H 1 1.95 0.02 . 1 . . . . 65 GLU HB3 . 15134 1 655 . 1 1 65 65 GLU HG2 H 1 2.08 0.02 . 1 . . . . 65 GLU HG2 . 15134 1 656 . 1 1 65 65 GLU HG3 H 1 2.08 0.02 . 1 . . . . 65 GLU HG3 . 15134 1 657 . 1 1 65 65 GLU C C 13 175.96 0.15 . 1 . . . . 65 GLU C . 15134 1 658 . 1 1 65 65 GLU CA C 13 54.48 0.15 . 1 . . . . 65 GLU CA . 15134 1 659 . 1 1 65 65 GLU CB C 13 35.88 0.15 . 1 . . . . 65 GLU CB . 15134 1 660 . 1 1 65 65 GLU CG C 13 37.30 0.15 . 1 . . . . 65 GLU CG . 15134 1 661 . 1 1 65 65 GLU N N 15 120.44 0.1 . 1 . . . . 65 GLU N . 15134 1 662 . 1 1 66 66 VAL H H 1 8.64 0.02 . 1 . . . . 66 VAL H . 15134 1 663 . 1 1 66 66 VAL HA H 1 4.79 0.02 . 1 . . . . 66 VAL HA . 15134 1 664 . 1 1 66 66 VAL HB H 1 2.27 0.02 . 1 . . . . 66 VAL HB . 15134 1 665 . 1 1 66 66 VAL HG11 H 1 0.90 0.02 . 2 . . . . 66 VAL HG1 . 15134 1 666 . 1 1 66 66 VAL HG12 H 1 0.90 0.02 . 2 . . . . 66 VAL HG1 . 15134 1 667 . 1 1 66 66 VAL HG13 H 1 0.90 0.02 . 2 . . . . 66 VAL HG1 . 15134 1 668 . 1 1 66 66 VAL HG21 H 1 0.99 0.02 . 2 . . . . 66 VAL HG2 . 15134 1 669 . 1 1 66 66 VAL HG22 H 1 0.99 0.02 . 2 . . . . 66 VAL HG2 . 15134 1 670 . 1 1 66 66 VAL HG23 H 1 0.99 0.02 . 2 . . . . 66 VAL HG2 . 15134 1 671 . 1 1 66 66 VAL C C 13 170.94 0.15 . 1 . . . . 66 VAL C . 15134 1 672 . 1 1 66 66 VAL CA C 13 60.45 0.15 . 1 . . . . 66 VAL CA . 15134 1 673 . 1 1 66 66 VAL CB C 13 34.53 0.15 . 1 . . . . 66 VAL CB . 15134 1 674 . 1 1 66 66 VAL CG1 C 13 19.20 0.15 . 2 . . . . 66 VAL CG1 . 15134 1 675 . 1 1 66 66 VAL CG2 C 13 21.40 0.15 . 2 . . . . 66 VAL CG2 . 15134 1 676 . 1 1 66 66 VAL N N 15 121.72 0.1 . 1 . . . . 66 VAL N . 15134 1 677 . 1 1 67 67 LYS H H 1 8.61 0.02 . 1 . . . . 67 LYS H . 15134 1 678 . 1 1 67 67 LYS HA H 1 5.29 0.02 . 1 . . . . 67 LYS HA . 15134 1 679 . 1 1 67 67 LYS HB2 H 1 1.80 0.02 . 1 . . . . 67 LYS HB2 . 15134 1 680 . 1 1 67 67 LYS HB3 H 1 1.80 0.02 . 1 . . . . 67 LYS HB3 . 15134 1 681 . 1 1 67 67 LYS HG2 H 1 1.39 0.02 . 1 . . . . 67 LYS HG2 . 15134 1 682 . 1 1 67 67 LYS HG3 H 1 1.39 0.02 . 1 . . . . 67 LYS HG3 . 15134 1 683 . 1 1 67 67 LYS HD2 H 1 1.66 0.02 . 1 . . . . 67 LYS HD2 . 15134 1 684 . 1 1 67 67 LYS HD3 H 1 1.66 0.02 . 1 . . . . 67 LYS HD3 . 15134 1 685 . 1 1 67 67 LYS HE2 H 1 2.97 0.02 . 1 . . . . 67 LYS HE2 . 15134 1 686 . 1 1 67 67 LYS HE3 H 1 2.97 0.02 . 1 . . . . 67 LYS HE3 . 15134 1 687 . 1 1 67 67 LYS C C 13 175.02 0.15 . 1 . . . . 67 LYS C . 15134 1 688 . 1 1 67 67 LYS CA C 13 54.55 0.15 . 1 . . . . 67 LYS CA . 15134 1 689 . 1 1 67 67 LYS CB C 13 36.00 0.15 . 1 . . . . 67 LYS CB . 15134 1 690 . 1 1 67 67 LYS CG C 13 24.50 0.15 . 1 . . . . 67 LYS CG . 15134 1 691 . 1 1 67 67 LYS CD C 13 29.70 0.15 . 1 . . . . 67 LYS CD . 15134 1 692 . 1 1 67 67 LYS CE C 13 42.20 0.15 . 1 . . . . 67 LYS CE . 15134 1 693 . 1 1 67 67 LYS N N 15 125.93 0.1 . 1 . . . . 67 LYS N . 15134 1 694 . 1 1 68 68 SER H H 1 8.88 0.02 . 1 . . . . 68 SER H . 15134 1 695 . 1 1 68 68 SER HA H 1 4.86 0.02 . 1 . . . . 68 SER HA . 15134 1 696 . 1 1 68 68 SER HB2 H 1 3.73 0.02 . 2 . . . . 68 SER HB2 . 15134 1 697 . 1 1 68 68 SER HB3 H 1 3.95 0.02 . 2 . . . . 68 SER HB3 . 15134 1 698 . 1 1 68 68 SER C C 13 174.23 0.15 . 1 . . . . 68 SER C . 15134 1 699 . 1 1 68 68 SER CA C 13 55.69 0.15 . 1 . . . . 68 SER CA . 15134 1 700 . 1 1 68 68 SER CB C 13 64.80 0.15 . 1 . . . . 68 SER CB . 15134 1 701 . 1 1 68 68 SER N N 15 116.55 0.1 . 1 . . . . 68 SER N . 15134 1 702 . 1 1 69 69 SER H H 1 8.54 0.02 . 1 . . . . 69 SER H . 15134 1 703 . 1 1 69 69 SER HA H 1 4.49 0.02 . 1 . . . . 69 SER HA . 15134 1 704 . 1 1 69 69 SER HB2 H 1 4.00 0.02 . 1 . . . . 69 SER HB2 . 15134 1 705 . 1 1 69 69 SER HB3 H 1 4.00 0.02 . 1 . . . . 69 SER HB3 . 15134 1 706 . 1 1 69 69 SER C C 13 174.14 0.15 . 1 . . . . 69 SER C . 15134 1 707 . 1 1 69 69 SER CA C 13 59.70 0.15 . 1 . . . . 69 SER CA . 15134 1 708 . 1 1 69 69 SER CB C 13 63.56 0.15 . 1 . . . . 69 SER CB . 15134 1 709 . 1 1 69 69 SER N N 15 118.77 0.1 . 1 . . . . 69 SER N . 15134 1 710 . 1 1 70 70 LYS H H 1 8.12 0.02 . 1 . . . . 70 LYS H . 15134 1 711 . 1 1 70 70 LYS HA H 1 4.84 0.02 . 1 . . . . 70 LYS HA . 15134 1 712 . 1 1 70 70 LYS HB2 H 1 1.70 0.02 . 2 . . . . 70 LYS HB2 . 15134 1 713 . 1 1 70 70 LYS HB3 H 1 1.87 0.02 . 2 . . . . 70 LYS HB3 . 15134 1 714 . 1 1 70 70 LYS HG2 H 1 1.42 0.02 . 1 . . . . 70 LYS HG2 . 15134 1 715 . 1 1 70 70 LYS HG3 H 1 1.42 0.02 . 1 . . . . 70 LYS HG3 . 15134 1 716 . 1 1 70 70 LYS HE2 H 1 2.97 0.02 . 1 . . . . 70 LYS HE2 . 15134 1 717 . 1 1 70 70 LYS HE3 H 1 2.97 0.02 . 1 . . . . 70 LYS HE3 . 15134 1 718 . 1 1 70 70 LYS CA C 13 53.42 0.15 . 1 . . . . 70 LYS CA . 15134 1 719 . 1 1 70 70 LYS CB C 13 33.35 0.15 . 1 . . . . 70 LYS CB . 15134 1 720 . 1 1 70 70 LYS CG C 13 24.30 0.15 . 1 . . . . 70 LYS CG . 15134 1 721 . 1 1 70 70 LYS N N 15 122.03 0.1 . 1 . . . . 70 LYS N . 15134 1 722 . 1 1 71 71 PRO HA H 1 4.11 0.02 . 1 . . . . 71 PRO HA . 15134 1 723 . 1 1 71 71 PRO HB2 H 1 1.82 0.02 . 2 . . . . 71 PRO HB2 . 15134 1 724 . 1 1 71 71 PRO HB3 H 1 2.25 0.02 . 2 . . . . 71 PRO HB3 . 15134 1 725 . 1 1 71 71 PRO HG2 H 1 1.88 0.02 . 2 . . . . 71 PRO HG2 . 15134 1 726 . 1 1 71 71 PRO HG3 H 1 2.20 0.02 . 2 . . . . 71 PRO HG3 . 15134 1 727 . 1 1 71 71 PRO HD2 H 1 3.62 0.02 . 2 . . . . 71 PRO HD2 . 15134 1 728 . 1 1 71 71 PRO HD3 H 1 3.81 0.02 . 2 . . . . 71 PRO HD3 . 15134 1 729 . 1 1 71 71 PRO C C 13 176.97 0.15 . 1 . . . . 71 PRO C . 15134 1 730 . 1 1 71 71 PRO CA C 13 63.97 0.15 . 1 . . . . 71 PRO CA . 15134 1 731 . 1 1 71 71 PRO CB C 13 31.28 0.15 . 1 . . . . 71 PRO CB . 15134 1 732 . 1 1 71 71 PRO CG C 13 28.10 0.15 . 1 . . . . 71 PRO CG . 15134 1 733 . 1 1 71 71 PRO CD C 13 50.00 0.15 . 1 . . . . 71 PRO CD . 15134 1 734 . 1 1 72 72 LEU H H 1 8.67 0.02 . 1 . . . . 72 LEU H . 15134 1 735 . 1 1 72 72 LEU HA H 1 4.44 0.02 . 1 . . . . 72 LEU HA . 15134 1 736 . 1 1 72 72 LEU HB2 H 1 2.00 0.02 . 2 . . . . 72 LEU HB2 . 15134 1 737 . 1 1 72 72 LEU HB3 H 1 1.53 0.02 . 2 . . . . 72 LEU HB3 . 15134 1 738 . 1 1 72 72 LEU HG H 1 1.76 0.02 . 1 . . . . 72 LEU HG . 15134 1 739 . 1 1 72 72 LEU HD11 H 1 0.72 0.02 . 2 . . . . 72 LEU HD1 . 15134 1 740 . 1 1 72 72 LEU HD12 H 1 0.72 0.02 . 2 . . . . 72 LEU HD1 . 15134 1 741 . 1 1 72 72 LEU HD13 H 1 0.72 0.02 . 2 . . . . 72 LEU HD1 . 15134 1 742 . 1 1 72 72 LEU HD21 H 1 0.60 0.02 . 2 . . . . 72 LEU HD2 . 15134 1 743 . 1 1 72 72 LEU HD22 H 1 0.60 0.02 . 2 . . . . 72 LEU HD2 . 15134 1 744 . 1 1 72 72 LEU HD23 H 1 0.60 0.02 . 2 . . . . 72 LEU HD2 . 15134 1 745 . 1 1 72 72 LEU C C 13 177.84 0.15 . 1 . . . . 72 LEU C . 15134 1 746 . 1 1 72 72 LEU CA C 13 54.87 0.15 . 1 . . . . 72 LEU CA . 15134 1 747 . 1 1 72 72 LEU CB C 13 43.70 0.15 . 1 . . . . 72 LEU CB . 15134 1 748 . 1 1 72 72 LEU CG C 13 27.40 0.15 . 1 . . . . 72 LEU CG . 15134 1 749 . 1 1 72 72 LEU CD1 C 13 23.90 0.15 . 2 . . . . 72 LEU CD1 . 15134 1 750 . 1 1 72 72 LEU CD2 C 13 26.10 0.15 . 2 . . . . 72 LEU CD2 . 15134 1 751 . 1 1 72 72 LEU N N 15 125.28 0.1 . 1 . . . . 72 LEU N . 15134 1 752 . 1 1 73 73 VAL H H 1 9.36 0.02 . 1 . . . . 73 VAL H . 15134 1 753 . 1 1 73 73 VAL HA H 1 4.07 0.02 . 1 . . . . 73 VAL HA . 15134 1 754 . 1 1 73 73 VAL HB H 1 2.22 0.02 . 1 . . . . 73 VAL HB . 15134 1 755 . 1 1 73 73 VAL HG11 H 1 1.05 0.02 . 2 . . . . 73 VAL HG1 . 15134 1 756 . 1 1 73 73 VAL HG12 H 1 1.05 0.02 . 2 . . . . 73 VAL HG1 . 15134 1 757 . 1 1 73 73 VAL HG13 H 1 1.05 0.02 . 2 . . . . 73 VAL HG1 . 15134 1 758 . 1 1 73 73 VAL HG21 H 1 1.05 0.02 . 2 . . . . 73 VAL HG2 . 15134 1 759 . 1 1 73 73 VAL HG22 H 1 1.05 0.02 . 2 . . . . 73 VAL HG2 . 15134 1 760 . 1 1 73 73 VAL HG23 H 1 1.05 0.02 . 2 . . . . 73 VAL HG2 . 15134 1 761 . 1 1 73 73 VAL C C 13 173.99 0.15 . 1 . . . . 73 VAL C . 15134 1 762 . 1 1 73 73 VAL CA C 13 63.42 0.15 . 1 . . . . 73 VAL CA . 15134 1 763 . 1 1 73 73 VAL CB C 13 33.08 0.15 . 1 . . . . 73 VAL CB . 15134 1 764 . 1 1 73 73 VAL CG1 C 13 21.20 0.15 . 1 . . . . 73 VAL CG1 . 15134 1 765 . 1 1 73 73 VAL CG2 C 13 21.20 0.15 . 1 . . . . 73 VAL CG2 . 15134 1 766 . 1 1 73 73 VAL N N 15 125.16 0.1 . 1 . . . . 73 VAL N . 15134 1 767 . 1 1 74 74 GLY H H 1 7.48 0.02 . 1 . . . . 74 GLY H . 15134 1 768 . 1 1 74 74 GLY HA2 H 1 2.00 0.02 . 2 . . . . 74 GLY HA2 . 15134 1 769 . 1 1 74 74 GLY HA3 H 1 3.28 0.02 . 2 . . . . 74 GLY HA3 . 15134 1 770 . 1 1 74 74 GLY CA C 13 42.44 0.15 . 1 . . . . 74 GLY CA . 15134 1 771 . 1 1 74 74 GLY N N 15 117.78 0.1 . 1 . . . . 74 GLY N . 15134 1 772 . 1 1 75 75 PRO HA H 1 4.08 0.02 . 1 . . . . 75 PRO HA . 15134 1 773 . 1 1 75 75 PRO HB2 H 1 1.42 0.02 . 2 . . . . 75 PRO HB2 . 15134 1 774 . 1 1 75 75 PRO HB3 H 1 2.11 0.02 . 2 . . . . 75 PRO HB3 . 15134 1 775 . 1 1 75 75 PRO HG2 H 1 1.73 0.02 . 1 . . . . 75 PRO HG2 . 15134 1 776 . 1 1 75 75 PRO HG3 H 1 1.73 0.02 . 1 . . . . 75 PRO HG3 . 15134 1 777 . 1 1 75 75 PRO HD2 H 1 2.93 0.02 . 2 . . . . 75 PRO HD2 . 15134 1 778 . 1 1 75 75 PRO HD3 H 1 3.22 0.02 . 2 . . . . 75 PRO HD3 . 15134 1 779 . 1 1 75 75 PRO C C 13 175.47 0.15 . 1 . . . . 75 PRO C . 15134 1 780 . 1 1 75 75 PRO CA C 13 61.44 0.15 . 1 . . . . 75 PRO CA . 15134 1 781 . 1 1 75 75 PRO CB C 13 35.32 0.15 . 1 . . . . 75 PRO CB . 15134 1 782 . 1 1 75 75 PRO CG C 13 25.20 0.15 . 1 . . . . 75 PRO CG . 15134 1 783 . 1 1 75 75 PRO CD C 13 50.10 0.15 . 1 . . . . 75 PRO CD . 15134 1 784 . 1 1 76 76 PHE H H 1 8.73 0.02 . 1 . . . . 76 PHE H . 15134 1 785 . 1 1 76 76 PHE HA H 1 4.46 0.02 . 1 . . . . 76 PHE HA . 15134 1 786 . 1 1 76 76 PHE HB2 H 1 2.54 0.02 . 1 . . . . 76 PHE HB2 . 15134 1 787 . 1 1 76 76 PHE HB3 H 1 2.54 0.02 . 1 . . . . 76 PHE HB3 . 15134 1 788 . 1 1 76 76 PHE HD1 H 1 6.90 0.02 . 1 . . . . 76 PHE HD1 . 15134 1 789 . 1 1 76 76 PHE HD2 H 1 6.90 0.02 . 1 . . . . 76 PHE HD2 . 15134 1 790 . 1 1 76 76 PHE HE1 H 1 7.25 0.02 . 1 . . . . 76 PHE HE1 . 15134 1 791 . 1 1 76 76 PHE HE2 H 1 7.25 0.02 . 1 . . . . 76 PHE HE2 . 15134 1 792 . 1 1 76 76 PHE HZ H 1 7.19 0.02 . 1 . . . . 76 PHE HZ . 15134 1 793 . 1 1 76 76 PHE C C 13 173.79 0.15 . 1 . . . . 76 PHE C . 15134 1 794 . 1 1 76 76 PHE CA C 13 58.37 0.15 . 1 . . . . 76 PHE CA . 15134 1 795 . 1 1 76 76 PHE CB C 13 40.72 0.15 . 1 . . . . 76 PHE CB . 15134 1 796 . 1 1 76 76 PHE N N 15 120.10 0.1 . 1 . . . . 76 PHE N . 15134 1 797 . 1 1 77 77 ASN H H 1 7.75 0.02 . 1 . . . . 77 ASN H . 15134 1 798 . 1 1 77 77 ASN HA H 1 5.49 0.02 . 1 . . . . 77 ASN HA . 15134 1 799 . 1 1 77 77 ASN HB2 H 1 2.67 0.02 . 2 . . . . 77 ASN HB2 . 15134 1 800 . 1 1 77 77 ASN HB3 H 1 3.24 0.02 . 2 . . . . 77 ASN HB3 . 15134 1 801 . 1 1 77 77 ASN HD21 H 1 7.26 0.02 . 1 . . . . 77 ASN HD21 . 15134 1 802 . 1 1 77 77 ASN HD22 H 1 6.71 0.02 . 1 . . . . 77 ASN HD22 . 15134 1 803 . 1 1 77 77 ASN C C 13 173.96 0.15 . 1 . . . . 77 ASN C . 15134 1 804 . 1 1 77 77 ASN CA C 13 51.38 0.15 . 1 . . . . 77 ASN CA . 15134 1 805 . 1 1 77 77 ASN CB C 13 41.02 0.15 . 1 . . . . 77 ASN CB . 15134 1 806 . 1 1 77 77 ASN N N 15 120.10 0.1 . 1 . . . . 77 ASN N . 15134 1 807 . 1 1 77 77 ASN ND2 N 15 116.10 0.1 . 1 . . . . 77 ASN ND2 . 15134 1 808 . 1 1 78 78 PHE H H 1 9.46 0.02 . 1 . . . . 78 PHE H . 15134 1 809 . 1 1 78 78 PHE HA H 1 6.14 0.02 . 1 . . . . 78 PHE HA . 15134 1 810 . 1 1 78 78 PHE HB2 H 1 3.09 0.02 . 2 . . . . 78 PHE HB2 . 15134 1 811 . 1 1 78 78 PHE HB3 H 1 2.83 0.02 . 2 . . . . 78 PHE HB3 . 15134 1 812 . 1 1 78 78 PHE HD1 H 1 6.90 0.02 . 1 . . . . 78 PHE HD1 . 15134 1 813 . 1 1 78 78 PHE HD2 H 1 6.90 0.02 . 1 . . . . 78 PHE HD2 . 15134 1 814 . 1 1 78 78 PHE HE1 H 1 6.65 0.02 . 1 . . . . 78 PHE HE1 . 15134 1 815 . 1 1 78 78 PHE HE2 H 1 6.65 0.02 . 1 . . . . 78 PHE HE2 . 15134 1 816 . 1 1 78 78 PHE HZ H 1 6.55 0.02 . 1 . . . . 78 PHE HZ . 15134 1 817 . 1 1 78 78 PHE C C 13 173.63 0.15 . 1 . . . . 78 PHE C . 15134 1 818 . 1 1 78 78 PHE CA C 13 57.45 0.15 . 1 . . . . 78 PHE CA . 15134 1 819 . 1 1 78 78 PHE CB C 13 46.08 0.15 . 1 . . . . 78 PHE CB . 15134 1 820 . 1 1 78 78 PHE N N 15 117.25 0.1 . 1 . . . . 78 PHE N . 15134 1 821 . 1 1 79 79 ARG H H 1 9.22 0.02 . 1 . . . . 79 ARG H . 15134 1 822 . 1 1 79 79 ARG HA H 1 5.26 0.02 . 1 . . . . 79 ARG HA . 15134 1 823 . 1 1 79 79 ARG HB2 H 1 1.12 0.02 . 2 . . . . 79 ARG HB2 . 15134 1 824 . 1 1 79 79 ARG HB3 H 1 0.66 0.02 . 2 . . . . 79 ARG HB3 . 15134 1 825 . 1 1 79 79 ARG HG2 H 1 1.01 0.02 . 1 . . . . 79 ARG HG2 . 15134 1 826 . 1 1 79 79 ARG HG3 H 1 1.01 0.02 . 1 . . . . 79 ARG HG3 . 15134 1 827 . 1 1 79 79 ARG HD2 H 1 3.03 0.02 . 1 . . . . 79 ARG HD2 . 15134 1 828 . 1 1 79 79 ARG HD3 H 1 3.03 0.02 . 1 . . . . 79 ARG HD3 . 15134 1 829 . 1 1 79 79 ARG C C 13 173.54 0.15 . 1 . . . . 79 ARG C . 15134 1 830 . 1 1 79 79 ARG CA C 13 54.52 0.15 . 1 . . . . 79 ARG CA . 15134 1 831 . 1 1 79 79 ARG CB C 13 34.02 0.15 . 1 . . . . 79 ARG CB . 15134 1 832 . 1 1 79 79 ARG CG C 13 25.40 0.15 . 1 . . . . 79 ARG CG . 15134 1 833 . 1 1 79 79 ARG CD C 13 43.50 0.15 . 1 . . . . 79 ARG CD . 15134 1 834 . 1 1 79 79 ARG N N 15 120.29 0.1 . 1 . . . . 79 ARG N . 15134 1 835 . 1 1 80 80 PHE H H 1 9.16 0.02 . 1 . . . . 80 PHE H . 15134 1 836 . 1 1 80 80 PHE HA H 1 5.32 0.02 . 1 . . . . 80 PHE HA . 15134 1 837 . 1 1 80 80 PHE HB2 H 1 3.17 0.02 . 2 . . . . 80 PHE HB2 . 15134 1 838 . 1 1 80 80 PHE HB3 H 1 2.93 0.02 . 2 . . . . 80 PHE HB3 . 15134 1 839 . 1 1 80 80 PHE HD1 H 1 7.24 0.02 . 1 . . . . 80 PHE HD1 . 15134 1 840 . 1 1 80 80 PHE HD2 H 1 7.24 0.02 . 1 . . . . 80 PHE HD2 . 15134 1 841 . 1 1 80 80 PHE HZ H 1 7.09 0.02 . 1 . . . . 80 PHE HZ . 15134 1 842 . 1 1 80 80 PHE C C 13 175.49 0.15 . 1 . . . . 80 PHE C . 15134 1 843 . 1 1 80 80 PHE CA C 13 55.26 0.15 . 1 . . . . 80 PHE CA . 15134 1 844 . 1 1 80 80 PHE CB C 13 43.92 0.15 . 1 . . . . 80 PHE CB . 15134 1 845 . 1 1 80 80 PHE N N 15 122.40 0.1 . 1 . . . . 80 PHE N . 15134 1 846 . 1 1 81 81 MET H H 1 8.62 0.02 . 1 . . . . 81 MET H . 15134 1 847 . 1 1 81 81 MET HA H 1 5.36 0.02 . 1 . . . . 81 MET HA . 15134 1 848 . 1 1 81 81 MET HB2 H 1 1.94 0.02 . 1 . . . . 81 MET HB2 . 15134 1 849 . 1 1 81 81 MET HB3 H 1 1.94 0.02 . 1 . . . . 81 MET HB3 . 15134 1 850 . 1 1 81 81 MET HG2 H 1 2.63 0.02 . 2 . . . . 81 MET HG2 . 15134 1 851 . 1 1 81 81 MET HG3 H 1 2.52 0.02 . 2 . . . . 81 MET HG3 . 15134 1 852 . 1 1 81 81 MET HE1 H 1 1.95 0.02 . 1 . . . . 81 MET HE . 15134 1 853 . 1 1 81 81 MET HE2 H 1 1.95 0.02 . 1 . . . . 81 MET HE . 15134 1 854 . 1 1 81 81 MET HE3 H 1 1.95 0.02 . 1 . . . . 81 MET HE . 15134 1 855 . 1 1 81 81 MET C C 13 175.79 0.15 . 1 . . . . 81 MET C . 15134 1 856 . 1 1 81 81 MET CA C 13 53.74 0.15 . 1 . . . . 81 MET CA . 15134 1 857 . 1 1 81 81 MET CB C 13 35.43 0.15 . 1 . . . . 81 MET CB . 15134 1 858 . 1 1 81 81 MET CG C 13 31.60 0.15 . 1 . . . . 81 MET CG . 15134 1 859 . 1 1 81 81 MET CE C 13 16.70 0.15 . 1 . . . . 81 MET CE . 15134 1 860 . 1 1 81 81 MET N N 15 120.03 0.1 . 1 . . . . 81 MET N . 15134 1 861 . 1 1 82 82 SER H H 1 9.22 0.02 . 1 . . . . 82 SER H . 15134 1 862 . 1 1 82 82 SER HA H 1 4.97 0.02 . 1 . . . . 82 SER HA . 15134 1 863 . 1 1 82 82 SER HB2 H 1 4.61 0.02 . 2 . . . . 82 SER HB2 . 15134 1 864 . 1 1 82 82 SER HB3 H 1 4.09 0.02 . 2 . . . . 82 SER HB3 . 15134 1 865 . 1 1 82 82 SER C C 13 176.36 0.15 . 1 . . . . 82 SER C . 15134 1 866 . 1 1 82 82 SER CA C 13 57.68 0.15 . 1 . . . . 82 SER CA . 15134 1 867 . 1 1 82 82 SER CB C 13 64.78 0.15 . 1 . . . . 82 SER CB . 15134 1 868 . 1 1 82 82 SER N N 15 126.36 0.1 . 1 . . . . 82 SER N . 15134 1 869 . 1 1 83 83 LYS H H 1 9.43 0.02 . 1 . . . . 83 LYS H . 15134 1 870 . 1 1 83 83 LYS HA H 1 4.00 0.02 . 1 . . . . 83 LYS HA . 15134 1 871 . 1 1 83 83 LYS HB2 H 1 1.95 0.02 . 1 . . . . 83 LYS HB2 . 15134 1 872 . 1 1 83 83 LYS HB3 H 1 1.95 0.02 . 1 . . . . 83 LYS HB3 . 15134 1 873 . 1 1 83 83 LYS HG2 H 1 1.40 0.02 . 2 . . . . 83 LYS HG2 . 15134 1 874 . 1 1 83 83 LYS HG3 H 1 1.48 0.02 . 2 . . . . 83 LYS HG3 . 15134 1 875 . 1 1 83 83 LYS HD2 H 1 1.71 0.02 . 1 . . . . 83 LYS HD2 . 15134 1 876 . 1 1 83 83 LYS HD3 H 1 1.71 0.02 . 1 . . . . 83 LYS HD3 . 15134 1 877 . 1 1 83 83 LYS HE2 H 1 3.03 0.02 . 1 . . . . 83 LYS HE2 . 15134 1 878 . 1 1 83 83 LYS HE3 H 1 3.03 0.02 . 1 . . . . 83 LYS HE3 . 15134 1 879 . 1 1 83 83 LYS C C 13 178.36 0.15 . 1 . . . . 83 LYS C . 15134 1 880 . 1 1 83 83 LYS CA C 13 59.82 0.15 . 1 . . . . 83 LYS CA . 15134 1 881 . 1 1 83 83 LYS CB C 13 32.26 0.15 . 1 . . . . 83 LYS CB . 15134 1 882 . 1 1 83 83 LYS CG C 13 25.80 0.15 . 1 . . . . 83 LYS CG . 15134 1 883 . 1 1 83 83 LYS CD C 13 29.20 0.15 . 1 . . . . 83 LYS CD . 15134 1 884 . 1 1 83 83 LYS CE C 13 42.30 0.15 . 1 . . . . 83 LYS CE . 15134 1 885 . 1 1 83 83 LYS N N 15 126.13 0.1 . 1 . . . . 83 LYS N . 15134 1 886 . 1 1 84 84 GLY H H 1 10.04 0.02 . 1 . . . . 84 GLY H . 15134 1 887 . 1 1 84 84 GLY HA2 H 1 4.16 0.02 . 2 . . . . 84 GLY HA2 . 15134 1 888 . 1 1 84 84 GLY HA3 H 1 3.73 0.02 . 2 . . . . 84 GLY HA3 . 15134 1 889 . 1 1 84 84 GLY C C 13 174.30 0.15 . 1 . . . . 84 GLY C . 15134 1 890 . 1 1 84 84 GLY CA C 13 44.71 0.15 . 1 . . . . 84 GLY CA . 15134 1 891 . 1 1 84 84 GLY N N 15 108.20 0.1 . 1 . . . . 84 GLY N . 15134 1 892 . 1 1 85 85 GLY H H 1 7.91 0.02 . 1 . . . . 85 GLY H . 15134 1 893 . 1 1 85 85 GLY HA2 H 1 4.21 0.02 . 2 . . . . 85 GLY HA2 . 15134 1 894 . 1 1 85 85 GLY HA3 H 1 3.78 0.02 . 2 . . . . 85 GLY HA3 . 15134 1 895 . 1 1 85 85 GLY C C 13 174.48 0.15 . 1 . . . . 85 GLY C . 15134 1 896 . 1 1 85 85 GLY CA C 13 45.77 0.15 . 1 . . . . 85 GLY CA . 15134 1 897 . 1 1 85 85 GLY N N 15 109.18 0.1 . 1 . . . . 85 GLY N . 15134 1 898 . 1 1 86 86 MET H H 1 8.64 0.02 . 1 . . . . 86 MET H . 15134 1 899 . 1 1 86 86 MET HA H 1 4.67 0.02 . 1 . . . . 86 MET HA . 15134 1 900 . 1 1 86 86 MET HB2 H 1 1.96 0.02 . 1 . . . . 86 MET HB2 . 15134 1 901 . 1 1 86 86 MET HB3 H 1 1.96 0.02 . 1 . . . . 86 MET HB3 . 15134 1 902 . 1 1 86 86 MET HG2 H 1 2.32 0.02 . 2 . . . . 86 MET HG2 . 15134 1 903 . 1 1 86 86 MET HG3 H 1 2.51 0.02 . 2 . . . . 86 MET HG3 . 15134 1 904 . 1 1 86 86 MET HE1 H 1 2.04 0.02 . 1 . . . . 86 MET HE . 15134 1 905 . 1 1 86 86 MET HE2 H 1 2.04 0.02 . 1 . . . . 86 MET HE . 15134 1 906 . 1 1 86 86 MET HE3 H 1 2.04 0.02 . 1 . . . . 86 MET HE . 15134 1 907 . 1 1 86 86 MET C C 13 175.93 0.15 . 1 . . . . 86 MET C . 15134 1 908 . 1 1 86 86 MET CA C 13 54.18 0.15 . 1 . . . . 86 MET CA . 15134 1 909 . 1 1 86 86 MET CB C 13 31.69 0.15 . 1 . . . . 86 MET CB . 15134 1 910 . 1 1 86 86 MET CG C 13 32.40 0.15 . 1 . . . . 86 MET CG . 15134 1 911 . 1 1 86 86 MET CE C 13 17.20 0.15 . 1 . . . . 86 MET CE . 15134 1 912 . 1 1 86 86 MET N N 15 119.55 0.1 . 1 . . . . 86 MET N . 15134 1 913 . 1 1 87 87 ARG H H 1 8.84 0.02 . 1 . . . . 87 ARG H . 15134 1 914 . 1 1 87 87 ARG HA H 1 5.50 0.02 . 1 . . . . 87 ARG HA . 15134 1 915 . 1 1 87 87 ARG HB2 H 1 1.72 0.02 . 1 . . . . 87 ARG HB2 . 15134 1 916 . 1 1 87 87 ARG HB3 H 1 1.72 0.02 . 1 . . . . 87 ARG HB3 . 15134 1 917 . 1 1 87 87 ARG HG2 H 1 1.49 0.02 . 1 . . . . 87 ARG HG2 . 15134 1 918 . 1 1 87 87 ARG HG3 H 1 1.49 0.02 . 1 . . . . 87 ARG HG3 . 15134 1 919 . 1 1 87 87 ARG HD2 H 1 3.05 0.02 . 2 . . . . 87 ARG HD2 . 15134 1 920 . 1 1 87 87 ARG HD3 H 1 2.94 0.02 . 2 . . . . 87 ARG HD3 . 15134 1 921 . 1 1 87 87 ARG C C 13 175.74 0.15 . 1 . . . . 87 ARG C . 15134 1 922 . 1 1 87 87 ARG CA C 13 54.27 0.15 . 1 . . . . 87 ARG CA . 15134 1 923 . 1 1 87 87 ARG CB C 13 32.69 0.15 . 1 . . . . 87 ARG CB . 15134 1 924 . 1 1 87 87 ARG CG C 13 27.00 0.15 . 1 . . . . 87 ARG CG . 15134 1 925 . 1 1 87 87 ARG CD C 13 43.00 0.15 . 1 . . . . 87 ARG CD . 15134 1 926 . 1 1 87 87 ARG N N 15 128.65 0.1 . 1 . . . . 87 ARG N . 15134 1 927 . 1 1 88 88 ASN H H 1 8.16 0.02 . 1 . . . . 88 ASN H . 15134 1 928 . 1 1 88 88 ASN HA H 1 4.93 0.02 . 1 . . . . 88 ASN HA . 15134 1 929 . 1 1 88 88 ASN HB2 H 1 2.09 0.02 . 2 . . . . 88 ASN HB2 . 15134 1 930 . 1 1 88 88 ASN HB3 H 1 2.28 0.02 . 2 . . . . 88 ASN HB3 . 15134 1 931 . 1 1 88 88 ASN HD21 H 1 7.74 0.02 . 1 . . . . 88 ASN HD21 . 15134 1 932 . 1 1 88 88 ASN HD22 H 1 6.88 0.02 . 1 . . . . 88 ASN HD22 . 15134 1 933 . 1 1 88 88 ASN C C 13 172.47 0.15 . 1 . . . . 88 ASN C . 15134 1 934 . 1 1 88 88 ASN CA C 13 53.88 0.15 . 1 . . . . 88 ASN CA . 15134 1 935 . 1 1 88 88 ASN CB C 13 44.49 0.15 . 1 . . . . 88 ASN CB . 15134 1 936 . 1 1 88 88 ASN N N 15 120.16 0.1 . 1 . . . . 88 ASN N . 15134 1 937 . 1 1 88 88 ASN ND2 N 15 111.30 0.1 . 1 . . . . 88 ASN ND2 . 15134 1 938 . 1 1 89 89 VAL H H 1 8.36 0.02 . 1 . . . . 89 VAL H . 15134 1 939 . 1 1 89 89 VAL HA H 1 4.66 0.02 . 1 . . . . 89 VAL HA . 15134 1 940 . 1 1 89 89 VAL HB H 1 1.80 0.02 . 1 . . . . 89 VAL HB . 15134 1 941 . 1 1 89 89 VAL HG11 H 1 1.00 0.02 . 2 . . . . 89 VAL HG1 . 15134 1 942 . 1 1 89 89 VAL HG12 H 1 1.00 0.02 . 2 . . . . 89 VAL HG1 . 15134 1 943 . 1 1 89 89 VAL HG13 H 1 1.00 0.02 . 2 . . . . 89 VAL HG1 . 15134 1 944 . 1 1 89 89 VAL HG21 H 1 0.74 0.02 . 2 . . . . 89 VAL HG2 . 15134 1 945 . 1 1 89 89 VAL HG22 H 1 0.74 0.02 . 2 . . . . 89 VAL HG2 . 15134 1 946 . 1 1 89 89 VAL HG23 H 1 0.74 0.02 . 2 . . . . 89 VAL HG2 . 15134 1 947 . 1 1 89 89 VAL C C 13 174.31 0.15 . 1 . . . . 89 VAL C . 15134 1 948 . 1 1 89 89 VAL CA C 13 61.52 0.15 . 1 . . . . 89 VAL CA . 15134 1 949 . 1 1 89 89 VAL CB C 13 34.39 0.15 . 1 . . . . 89 VAL CB . 15134 1 950 . 1 1 89 89 VAL CG1 C 13 21.50 0.15 . 2 . . . . 89 VAL CG1 . 15134 1 951 . 1 1 89 89 VAL CG2 C 13 21.30 0.15 . 2 . . . . 89 VAL CG2 . 15134 1 952 . 1 1 89 89 VAL N N 15 121.98 0.1 . 1 . . . . 89 VAL N . 15134 1 953 . 1 1 90 90 PHE H H 1 9.55 0.02 . 1 . . . . 90 PHE H . 15134 1 954 . 1 1 90 90 PHE HA H 1 5.05 0.02 . 1 . . . . 90 PHE HA . 15134 1 955 . 1 1 90 90 PHE HB2 H 1 2.86 0.02 . 2 . . . . 90 PHE HB2 . 15134 1 956 . 1 1 90 90 PHE HB3 H 1 3.18 0.02 . 2 . . . . 90 PHE HB3 . 15134 1 957 . 1 1 90 90 PHE HD1 H 1 7.25 0.02 . 1 . . . . 90 PHE HD1 . 15134 1 958 . 1 1 90 90 PHE HD2 H 1 7.25 0.02 . 1 . . . . 90 PHE HD2 . 15134 1 959 . 1 1 90 90 PHE HE1 H 1 6.99 0.02 . 1 . . . . 90 PHE HE1 . 15134 1 960 . 1 1 90 90 PHE HE2 H 1 6.99 0.02 . 1 . . . . 90 PHE HE2 . 15134 1 961 . 1 1 90 90 PHE HZ H 1 6.98 0.02 . 1 . . . . 90 PHE HZ . 15134 1 962 . 1 1 90 90 PHE C C 13 174.21 0.15 . 1 . . . . 90 PHE C . 15134 1 963 . 1 1 90 90 PHE CA C 13 56.60 0.15 . 1 . . . . 90 PHE CA . 15134 1 964 . 1 1 90 90 PHE CB C 13 42.58 0.15 . 1 . . . . 90 PHE CB . 15134 1 965 . 1 1 90 90 PHE N N 15 125.11 0.1 . 1 . . . . 90 PHE N . 15134 1 966 . 1 1 91 91 ASP H H 1 9.03 0.02 . 1 . . . . 91 ASP H . 15134 1 967 . 1 1 91 91 ASP HA H 1 5.30 0.02 . 1 . . . . 91 ASP HA . 15134 1 968 . 1 1 91 91 ASP HB2 H 1 2.61 0.02 . 1 . . . . 91 ASP HB2 . 15134 1 969 . 1 1 91 91 ASP HB3 H 1 2.61 0.02 . 1 . . . . 91 ASP HB3 . 15134 1 970 . 1 1 91 91 ASP C C 13 176.62 0.15 . 1 . . . . 91 ASP C . 15134 1 971 . 1 1 91 91 ASP CA C 13 54.22 0.15 . 1 . . . . 91 ASP CA . 15134 1 972 . 1 1 91 91 ASP CB C 13 42.44 0.15 . 1 . . . . 91 ASP CB . 15134 1 973 . 1 1 91 91 ASP N N 15 124.66 0.1 . 1 . . . . 91 ASP N . 15134 1 974 . 1 1 92 92 GLU H H 1 9.29 0.02 . 1 . . . . 92 GLU H . 15134 1 975 . 1 1 92 92 GLU HA H 1 3.13 0.02 . 1 . . . . 92 GLU HA . 15134 1 976 . 1 1 92 92 GLU HB2 H 1 1.87 0.02 . 2 . . . . 92 GLU HB2 . 15134 1 977 . 1 1 92 92 GLU HB3 H 1 2.06 0.02 . 2 . . . . 92 GLU HB3 . 15134 1 978 . 1 1 92 92 GLU HG2 H 1 2.36 0.02 . 2 . . . . 92 GLU HG2 . 15134 1 979 . 1 1 92 92 GLU HG3 H 1 2.04 0.02 . 2 . . . . 92 GLU HG3 . 15134 1 980 . 1 1 92 92 GLU C C 13 175.29 0.15 . 1 . . . . 92 GLU C . 15134 1 981 . 1 1 92 92 GLU CA C 13 57.35 0.15 . 1 . . . . 92 GLU CA . 15134 1 982 . 1 1 92 92 GLU CB C 13 27.13 0.15 . 1 . . . . 92 GLU CB . 15134 1 983 . 1 1 92 92 GLU CG C 13 37.20 0.15 . 1 . . . . 92 GLU CG . 15134 1 984 . 1 1 92 92 GLU N N 15 118.59 0.1 . 1 . . . . 92 GLU N . 15134 1 985 . 1 1 93 93 VAL H H 1 8.04 0.02 . 1 . . . . 93 VAL H . 15134 1 986 . 1 1 93 93 VAL HA H 1 3.91 0.02 . 1 . . . . 93 VAL HA . 15134 1 987 . 1 1 93 93 VAL HB H 1 1.70 0.02 . 1 . . . . 93 VAL HB . 15134 1 988 . 1 1 93 93 VAL HG11 H 1 0.58 0.02 . 2 . . . . 93 VAL HG1 . 15134 1 989 . 1 1 93 93 VAL HG12 H 1 0.58 0.02 . 2 . . . . 93 VAL HG1 . 15134 1 990 . 1 1 93 93 VAL HG13 H 1 0.58 0.02 . 2 . . . . 93 VAL HG1 . 15134 1 991 . 1 1 93 93 VAL HG21 H 1 0.98 0.02 . 2 . . . . 93 VAL HG2 . 15134 1 992 . 1 1 93 93 VAL HG22 H 1 0.98 0.02 . 2 . . . . 93 VAL HG2 . 15134 1 993 . 1 1 93 93 VAL HG23 H 1 0.98 0.02 . 2 . . . . 93 VAL HG2 . 15134 1 994 . 1 1 93 93 VAL C C 13 175.25 0.15 . 1 . . . . 93 VAL C . 15134 1 995 . 1 1 93 93 VAL CA C 13 64.21 0.15 . 1 . . . . 93 VAL CA . 15134 1 996 . 1 1 93 93 VAL CB C 13 33.54 0.15 . 1 . . . . 93 VAL CB . 15134 1 997 . 1 1 93 93 VAL CG1 C 13 21.80 0.15 . 2 . . . . 93 VAL CG1 . 15134 1 998 . 1 1 93 93 VAL CG2 C 13 23.20 0.15 . 2 . . . . 93 VAL CG2 . 15134 1 999 . 1 1 93 93 VAL N N 15 116.54 0.1 . 1 . . . . 93 VAL N . 15134 1 1000 . 1 1 94 94 ILE H H 1 6.57 0.02 . 1 . . . . 94 ILE H . 15134 1 1001 . 1 1 94 94 ILE HA H 1 4.23 0.02 . 1 . . . . 94 ILE HA . 15134 1 1002 . 1 1 94 94 ILE HB H 1 1.57 0.02 . 1 . . . . 94 ILE HB . 15134 1 1003 . 1 1 94 94 ILE HG12 H 1 1.08 0.02 . 2 . . . . 94 ILE HG12 . 15134 1 1004 . 1 1 94 94 ILE HG13 H 1 0.36 0.02 . 2 . . . . 94 ILE HG13 . 15134 1 1005 . 1 1 94 94 ILE HG21 H 1 0.75 0.02 . 1 . . . . 94 ILE HG2 . 15134 1 1006 . 1 1 94 94 ILE HG22 H 1 0.75 0.02 . 1 . . . . 94 ILE HG2 . 15134 1 1007 . 1 1 94 94 ILE HG23 H 1 0.75 0.02 . 1 . . . . 94 ILE HG2 . 15134 1 1008 . 1 1 94 94 ILE HD11 H 1 0.36 0.02 . 1 . . . . 94 ILE HD1 . 15134 1 1009 . 1 1 94 94 ILE HD12 H 1 0.36 0.02 . 1 . . . . 94 ILE HD1 . 15134 1 1010 . 1 1 94 94 ILE HD13 H 1 0.36 0.02 . 1 . . . . 94 ILE HD1 . 15134 1 1011 . 1 1 94 94 ILE CA C 13 56.95 0.15 . 1 . . . . 94 ILE CA . 15134 1 1012 . 1 1 94 94 ILE CB C 13 43.10 0.15 . 1 . . . . 94 ILE CB . 15134 1 1013 . 1 1 94 94 ILE CG1 C 13 26.80 0.15 . 1 . . . . 94 ILE CG1 . 15134 1 1014 . 1 1 94 94 ILE CG2 C 13 15.33 0.15 . 1 . . . . 94 ILE CG2 . 15134 1 1015 . 1 1 94 94 ILE CD1 C 13 13.60 0.15 . 1 . . . . 94 ILE CD1 . 15134 1 1016 . 1 1 94 94 ILE N N 15 114.76 0.1 . 1 . . . . 94 ILE N . 15134 1 1017 . 1 1 95 95 PRO HA H 1 4.22 0.02 . 1 . . . . 95 PRO HA . 15134 1 1018 . 1 1 95 95 PRO HB2 H 1 1.94 0.02 . 2 . . . . 95 PRO HB2 . 15134 1 1019 . 1 1 95 95 PRO HB3 H 1 2.16 0.02 . 2 . . . . 95 PRO HB3 . 15134 1 1020 . 1 1 95 95 PRO HG2 H 1 1.69 0.02 . 2 . . . . 95 PRO HG2 . 15134 1 1021 . 1 1 95 95 PRO HG3 H 1 2.13 0.02 . 2 . . . . 95 PRO HG3 . 15134 1 1022 . 1 1 95 95 PRO HD2 H 1 3.16 0.02 . 2 . . . . 95 PRO HD2 . 15134 1 1023 . 1 1 95 95 PRO HD3 H 1 3.56 0.02 . 2 . . . . 95 PRO HD3 . 15134 1 1024 . 1 1 95 95 PRO C C 13 173.65 0.15 . 1 . . . . 95 PRO C . 15134 1 1025 . 1 1 95 95 PRO CA C 13 62.18 0.15 . 1 . . . . 95 PRO CA . 15134 1 1026 . 1 1 95 95 PRO CB C 13 32.25 0.15 . 1 . . . . 95 PRO CB . 15134 1 1027 . 1 1 95 95 PRO CG C 13 26.00 0.15 . 1 . . . . 95 PRO CG . 15134 1 1028 . 1 1 95 95 PRO CD C 13 51.30 0.15 . 1 . . . . 95 PRO CD . 15134 1 1029 . 1 1 96 96 THR H H 1 7.91 0.02 . 1 . . . . 96 THR H . 15134 1 1030 . 1 1 96 96 THR HA H 1 3.67 0.02 . 1 . . . . 96 THR HA . 15134 1 1031 . 1 1 96 96 THR HB H 1 3.80 0.02 . 1 . . . . 96 THR HB . 15134 1 1032 . 1 1 96 96 THR HG21 H 1 1.23 0.02 . 1 . . . . 96 THR HG2 . 15134 1 1033 . 1 1 96 96 THR HG22 H 1 1.23 0.02 . 1 . . . . 96 THR HG2 . 15134 1 1034 . 1 1 96 96 THR HG23 H 1 1.23 0.02 . 1 . . . . 96 THR HG2 . 15134 1 1035 . 1 1 96 96 THR C C 13 175.57 0.15 . 1 . . . . 96 THR C . 15134 1 1036 . 1 1 96 96 THR CA C 13 66.53 0.15 . 1 . . . . 96 THR CA . 15134 1 1037 . 1 1 96 96 THR CB C 13 68.37 0.15 . 1 . . . . 96 THR CB . 15134 1 1038 . 1 1 96 96 THR N N 15 112.34 0.1 . 1 . . . . 96 THR N . 15134 1 1039 . 1 1 97 97 ALA H H 1 8.13 0.02 . 1 . . . . 97 ALA H . 15134 1 1040 . 1 1 97 97 ALA HA H 1 4.45 0.02 . 1 . . . . 97 ALA HA . 15134 1 1041 . 1 1 97 97 ALA HB1 H 1 1.19 0.02 . 1 . . . . 97 ALA HB . 15134 1 1042 . 1 1 97 97 ALA HB2 H 1 1.19 0.02 . 1 . . . . 97 ALA HB . 15134 1 1043 . 1 1 97 97 ALA HB3 H 1 1.19 0.02 . 1 . . . . 97 ALA HB . 15134 1 1044 . 1 1 97 97 ALA C C 13 176.70 0.15 . 1 . . . . 97 ALA C . 15134 1 1045 . 1 1 97 97 ALA CA C 13 49.87 0.15 . 1 . . . . 97 ALA CA . 15134 1 1046 . 1 1 97 97 ALA CB C 13 15.78 0.15 . 1 . . . . 97 ALA CB . 15134 1 1047 . 1 1 97 97 ALA N N 15 122.20 0.1 . 1 . . . . 97 ALA N . 15134 1 1048 . 1 1 98 98 PHE H H 1 7.10 0.02 . 1 . . . . 98 PHE H . 15134 1 1049 . 1 1 98 98 PHE HA H 1 4.61 0.02 . 1 . . . . 98 PHE HA . 15134 1 1050 . 1 1 98 98 PHE HB2 H 1 3.19 0.02 . 2 . . . . 98 PHE HB2 . 15134 1 1051 . 1 1 98 98 PHE HB3 H 1 3.10 0.02 . 2 . . . . 98 PHE HB3 . 15134 1 1052 . 1 1 98 98 PHE HD1 H 1 7.30 0.02 . 1 . . . . 98 PHE HD1 . 15134 1 1053 . 1 1 98 98 PHE HD2 H 1 7.30 0.02 . 1 . . . . 98 PHE HD2 . 15134 1 1054 . 1 1 98 98 PHE C C 13 175.02 0.15 . 1 . . . . 98 PHE C . 15134 1 1055 . 1 1 98 98 PHE CA C 13 56.03 0.15 . 1 . . . . 98 PHE CA . 15134 1 1056 . 1 1 98 98 PHE CB C 13 38.95 0.15 . 1 . . . . 98 PHE CB . 15134 1 1057 . 1 1 98 98 PHE N N 15 118.89 0.1 . 1 . . . . 98 PHE N . 15134 1 1058 . 1 1 99 99 SER H H 1 8.09 0.02 . 1 . . . . 99 SER H . 15134 1 1059 . 1 1 99 99 SER HA H 1 5.01 0.02 . 1 . . . . 99 SER HA . 15134 1 1060 . 1 1 99 99 SER HB2 H 1 3.72 0.02 . 2 . . . . 99 SER HB2 . 15134 1 1061 . 1 1 99 99 SER HB3 H 1 3.92 0.02 . 2 . . . . 99 SER HB3 . 15134 1 1062 . 1 1 99 99 SER C C 13 174.13 0.15 . 1 . . . . 99 SER C . 15134 1 1063 . 1 1 99 99 SER CA C 13 56.87 0.15 . 1 . . . . 99 SER CA . 15134 1 1064 . 1 1 99 99 SER CB C 13 64.99 0.15 . 1 . . . . 99 SER CB . 15134 1 1065 . 1 1 99 99 SER N N 15 114.54 0.1 . 1 . . . . 99 SER N . 15134 1 1066 . 1 1 100 100 ILE H H 1 8.93 0.02 . 1 . . . . 100 ILE H . 15134 1 1067 . 1 1 100 100 ILE HA H 1 3.64 0.02 . 1 . . . . 100 ILE HA . 15134 1 1068 . 1 1 100 100 ILE HB H 1 1.94 0.02 . 1 . . . . 100 ILE HB . 15134 1 1069 . 1 1 100 100 ILE HG12 H 1 1.45 0.02 . 2 . . . . 100 ILE HG12 . 15134 1 1070 . 1 1 100 100 ILE HG13 H 1 1.85 0.02 . 2 . . . . 100 ILE HG13 . 15134 1 1071 . 1 1 100 100 ILE HG21 H 1 0.95 0.02 . 1 . . . . 100 ILE HG2 . 15134 1 1072 . 1 1 100 100 ILE HG22 H 1 0.95 0.02 . 1 . . . . 100 ILE HG2 . 15134 1 1073 . 1 1 100 100 ILE HG23 H 1 0.95 0.02 . 1 . . . . 100 ILE HG2 . 15134 1 1074 . 1 1 100 100 ILE HD11 H 1 1.14 0.02 . 1 . . . . 100 ILE HD1 . 15134 1 1075 . 1 1 100 100 ILE HD12 H 1 1.14 0.02 . 1 . . . . 100 ILE HD1 . 15134 1 1076 . 1 1 100 100 ILE HD13 H 1 1.14 0.02 . 1 . . . . 100 ILE HD1 . 15134 1 1077 . 1 1 100 100 ILE C C 13 177.48 0.15 . 1 . . . . 100 ILE C . 15134 1 1078 . 1 1 100 100 ILE CA C 13 63.50 0.15 . 1 . . . . 100 ILE CA . 15134 1 1079 . 1 1 100 100 ILE CB C 13 36.88 0.15 . 1 . . . . 100 ILE CB . 15134 1 1080 . 1 1 100 100 ILE CG1 C 13 29.00 0.15 . 1 . . . . 100 ILE CG1 . 15134 1 1081 . 1 1 100 100 ILE CG2 C 13 17.55 0.15 . 1 . . . . 100 ILE CG2 . 15134 1 1082 . 1 1 100 100 ILE CD1 C 13 12.98 0.15 . 1 . . . . 100 ILE CD1 . 15134 1 1083 . 1 1 100 100 ILE N N 15 126.36 0.1 . 1 . . . . 100 ILE N . 15134 1 1084 . 1 1 101 101 GLY H H 1 9.03 0.02 . 1 . . . . 101 GLY H . 15134 1 1085 . 1 1 101 101 GLY HA2 H 1 3.76 0.02 . 2 . . . . 101 GLY HA2 . 15134 1 1086 . 1 1 101 101 GLY HA3 H 1 4.40 0.02 . 2 . . . . 101 GLY HA3 . 15134 1 1087 . 1 1 101 101 GLY C C 13 173.43 0.15 . 1 . . . . 101 GLY C . 15134 1 1088 . 1 1 101 101 GLY CA C 13 44.92 0.15 . 1 . . . . 101 GLY CA . 15134 1 1089 . 1 1 101 101 GLY N N 15 116.81 0.1 . 1 . . . . 101 GLY N . 15134 1 1090 . 1 1 102 102 LYS H H 1 7.71 0.02 . 1 . . . . 102 LYS H . 15134 1 1091 . 1 1 102 102 LYS HA H 1 4.39 0.02 . 1 . . . . 102 LYS HA . 15134 1 1092 . 1 1 102 102 LYS HB2 H 1 1.90 0.02 . 2 . . . . 102 LYS HB2 . 15134 1 1093 . 1 1 102 102 LYS HB3 H 1 1.72 0.02 . 2 . . . . 102 LYS HB3 . 15134 1 1094 . 1 1 102 102 LYS HG2 H 1 1.25 0.02 . 2 . . . . 102 LYS HG2 . 15134 1 1095 . 1 1 102 102 LYS HG3 H 1 0.79 0.02 . 2 . . . . 102 LYS HG3 . 15134 1 1096 . 1 1 102 102 LYS HD2 H 1 1.65 0.02 . 1 . . . . 102 LYS HD2 . 15134 1 1097 . 1 1 102 102 LYS HD3 H 1 1.65 0.02 . 1 . . . . 102 LYS HD3 . 15134 1 1098 . 1 1 102 102 LYS HE2 H 1 2.85 0.02 . 2 . . . . 102 LYS HE2 . 15134 1 1099 . 1 1 102 102 LYS HE3 H 1 2.93 0.02 . 2 . . . . 102 LYS HE3 . 15134 1 1100 . 1 1 102 102 LYS C C 13 174.82 0.15 . 1 . . . . 102 LYS C . 15134 1 1101 . 1 1 102 102 LYS CA C 13 55.87 0.15 . 1 . . . . 102 LYS CA . 15134 1 1102 . 1 1 102 102 LYS CB C 13 33.96 0.15 . 1 . . . . 102 LYS CB . 15134 1 1103 . 1 1 102 102 LYS CG C 13 25.50 0.15 . 1 . . . . 102 LYS CG . 15134 1 1104 . 1 1 102 102 LYS CD C 13 29.00 0.15 . 1 . . . . 102 LYS CD . 15134 1 1105 . 1 1 102 102 LYS CE C 13 42.50 0.15 . 1 . . . . 102 LYS CE . 15134 1 1106 . 1 1 102 102 LYS N N 15 122.16 0.1 . 1 . . . . 102 LYS N . 15134 1 1107 . 1 1 103 103 THR H H 1 8.29 0.02 . 1 . . . . 103 THR H . 15134 1 1108 . 1 1 103 103 THR HA H 1 5.17 0.02 . 1 . . . . 103 THR HA . 15134 1 1109 . 1 1 103 103 THR HB H 1 3.87 0.02 . 1 . . . . 103 THR HB . 15134 1 1110 . 1 1 103 103 THR HG21 H 1 1.16 0.02 . 1 . . . . 103 THR HG2 . 15134 1 1111 . 1 1 103 103 THR HG22 H 1 1.16 0.02 . 1 . . . . 103 THR HG2 . 15134 1 1112 . 1 1 103 103 THR HG23 H 1 1.16 0.02 . 1 . . . . 103 THR HG2 . 15134 1 1113 . 1 1 103 103 THR C C 13 173.59 0.15 . 1 . . . . 103 THR C . 15134 1 1114 . 1 1 103 103 THR CA C 13 62.01 0.15 . 1 . . . . 103 THR CA . 15134 1 1115 . 1 1 103 103 THR CB C 13 69.88 0.15 . 1 . . . . 103 THR CB . 15134 1 1116 . 1 1 103 103 THR N N 15 120.32 0.1 . 1 . . . . 103 THR N . 15134 1 1117 . 1 1 104 104 TYR H H 1 9.80 0.02 . 1 . . . . 104 TYR H . 15134 1 1118 . 1 1 104 104 TYR HA H 1 4.83 0.02 . 1 . . . . 104 TYR HA . 15134 1 1119 . 1 1 104 104 TYR HB2 H 1 3.22 0.02 . 2 . . . . 104 TYR HB2 . 15134 1 1120 . 1 1 104 104 TYR HB3 H 1 2.62 0.02 . 2 . . . . 104 TYR HB3 . 15134 1 1121 . 1 1 104 104 TYR HD1 H 1 7.30 0.02 . 1 . . . . 104 TYR HD1 . 15134 1 1122 . 1 1 104 104 TYR HD2 H 1 7.30 0.02 . 1 . . . . 104 TYR HD2 . 15134 1 1123 . 1 1 104 104 TYR HE1 H 1 7.00 0.02 . 1 . . . . 104 TYR HE1 . 15134 1 1124 . 1 1 104 104 TYR HE2 H 1 7.00 0.02 . 1 . . . . 104 TYR HE2 . 15134 1 1125 . 1 1 104 104 TYR C C 13 174.50 0.15 . 1 . . . . 104 TYR C . 15134 1 1126 . 1 1 104 104 TYR CA C 13 57.51 0.15 . 1 . . . . 104 TYR CA . 15134 1 1127 . 1 1 104 104 TYR CB C 13 41.48 0.15 . 1 . . . . 104 TYR CB . 15134 1 1128 . 1 1 104 104 TYR N N 15 127.52 0.1 . 1 . . . . 104 TYR N . 15134 1 1129 . 1 1 105 105 LYS H H 1 8.98 0.02 . 1 . . . . 105 LYS H . 15134 1 1130 . 1 1 105 105 LYS HA H 1 5.15 0.02 . 1 . . . . 105 LYS HA . 15134 1 1131 . 1 1 105 105 LYS HB2 H 1 1.84 0.02 . 2 . . . . 105 LYS HB2 . 15134 1 1132 . 1 1 105 105 LYS HB3 H 1 1.94 0.02 . 2 . . . . 105 LYS HB3 . 15134 1 1133 . 1 1 105 105 LYS HG2 H 1 1.47 0.02 . 1 . . . . 105 LYS HG2 . 15134 1 1134 . 1 1 105 105 LYS HG3 H 1 1.47 0.02 . 1 . . . . 105 LYS HG3 . 15134 1 1135 . 1 1 105 105 LYS HD2 H 1 1.68 0.02 . 1 . . . . 105 LYS HD2 . 15134 1 1136 . 1 1 105 105 LYS HD3 H 1 1.68 0.02 . 1 . . . . 105 LYS HD3 . 15134 1 1137 . 1 1 105 105 LYS HE2 H 1 2.96 0.02 . 1 . . . . 105 LYS HE2 . 15134 1 1138 . 1 1 105 105 LYS HE3 H 1 2.96 0.02 . 1 . . . . 105 LYS HE3 . 15134 1 1139 . 1 1 105 105 LYS CA C 13 53.35 0.15 . 1 . . . . 105 LYS CA . 15134 1 1140 . 1 1 105 105 LYS CB C 13 34.64 0.15 . 1 . . . . 105 LYS CB . 15134 1 1141 . 1 1 105 105 LYS CG C 13 24.20 0.15 . 1 . . . . 105 LYS CG . 15134 1 1142 . 1 1 105 105 LYS CD C 13 29.40 0.15 . 1 . . . . 105 LYS CD . 15134 1 1143 . 1 1 105 105 LYS N N 15 121.75 0.1 . 1 . . . . 105 LYS N . 15134 1 1144 . 1 1 106 106 PRO HA H 1 4.63 0.02 . 1 . . . . 106 PRO HA . 15134 1 1145 . 1 1 106 106 PRO HB2 H 1 2.06 0.02 . 2 . . . . 106 PRO HB2 . 15134 1 1146 . 1 1 106 106 PRO HB3 H 1 2.40 0.02 . 2 . . . . 106 PRO HB3 . 15134 1 1147 . 1 1 106 106 PRO HG2 H 1 1.35 0.02 . 2 . . . . 106 PRO HG2 . 15134 1 1148 . 1 1 106 106 PRO HG3 H 1 1.66 0.02 . 2 . . . . 106 PRO HG3 . 15134 1 1149 . 1 1 106 106 PRO HD2 H 1 3.87 0.02 . 2 . . . . 106 PRO HD2 . 15134 1 1150 . 1 1 106 106 PRO HD3 H 1 3.53 0.02 . 2 . . . . 106 PRO HD3 . 15134 1 1151 . 1 1 106 106 PRO C C 13 176.27 0.15 . 1 . . . . 106 PRO C . 15134 1 1152 . 1 1 106 106 PRO CA C 13 62.87 0.15 . 1 . . . . 106 PRO CA . 15134 1 1153 . 1 1 106 106 PRO CB C 13 32.55 0.15 . 1 . . . . 106 PRO CB . 15134 1 1154 . 1 1 106 106 PRO CG C 13 27.60 0.15 . 1 . . . . 106 PRO CG . 15134 1 1155 . 1 1 106 106 PRO CD C 13 51.20 0.15 . 1 . . . . 106 PRO CD . 15134 1 1156 . 1 1 107 107 GLU H H 1 8.84 0.02 . 1 . . . . 107 GLU H . 15134 1 1157 . 1 1 107 107 GLU HA H 1 4.41 0.02 . 1 . . . . 107 GLU HA . 15134 1 1158 . 1 1 107 107 GLU HB2 H 1 2.08 0.02 . 2 . . . . 107 GLU HB2 . 15134 1 1159 . 1 1 107 107 GLU HB3 H 1 2.19 0.02 . 2 . . . . 107 GLU HB3 . 15134 1 1160 . 1 1 107 107 GLU C C 13 175.74 0.15 . 1 . . . . 107 GLU C . 15134 1 1161 . 1 1 107 107 GLU CA C 13 56.68 0.15 . 1 . . . . 107 GLU CA . 15134 1 1162 . 1 1 107 107 GLU CB C 13 30.61 0.15 . 1 . . . . 107 GLU CB . 15134 1 1163 . 1 1 107 107 GLU N N 15 122.65 0.1 . 1 . . . . 107 GLU N . 15134 1 1164 . 1 1 108 108 GLU H H 1 8.21 0.02 . 1 . . . . 108 GLU H . 15134 1 1165 . 1 1 108 108 GLU CA C 13 58.21 0.15 . 1 . . . . 108 GLU CA . 15134 1 1166 . 1 1 108 108 GLU CB C 13 31.35 0.15 . 1 . . . . 108 GLU CB . 15134 1 1167 . 1 1 108 108 GLU N N 15 127.41 0.1 . 1 . . . . 108 GLU N . 15134 1 stop_ save_