data_7322 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7322 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'structure of calcium-free rat beta-parvalbumin (oncomodulin)' 'Structure analysis' . 7322 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7322 _Entry.Title ; Chemical Shift Assignments for calcium-free rat beta-parvalbumin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-10-23 _Entry.Accession_date 2006-10-23 _Entry.Last_release_date 2007-10-09 _Entry.Original_release_date 2007-10-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Michael Henzl . T. . 7322 2 John Tanner . J. . 7322 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'MU Biochemistry' . 7322 . . 'MU Chemistry' . 7322 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7322 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 445 7322 '15N chemical shifts' 118 7322 '1H chemical shifts' 724 7322 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-10-09 2006-10-23 original author . 7322 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2NLN 'BMRB Entry Tracking System' 7322 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 7322 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17766386 _Citation.Full_citation . _Citation.Title 'Solution structure of Ca2+-free rat beta-parvalbumin (oncomodulin).' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 9 _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 1914 _Citation.Page_last 1926 _Citation.Year 2007 _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 Michael Henzl . T. . 7322 1 2 John Tanner . J. . 7322 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'calcium-binding protein' 7322 1 'EF-hand protein' 7322 1 NMR 7322 1 oncomodulin 7322 1 parvalbumin 7322 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7322 _Assembly.ID 1 _Assembly.Name apo-oncomodulin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 12100 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7322 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 apo-oncomodulin 1 $rat_beta-parvalbumin . . yes native no no . . . 7322 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_rat_beta-parvalbumin _Entity.Sf_category entity _Entity.Sf_framecode rat_beta-parvalbumin _Entity.Entry_ID 7322 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name oncomodulin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SITDILSAEDIAAALQECQD PDTFEPQKFFQTSGLSKMSA SQVKDIFRFIDNDQSGYLDG DELKYFLQKFQSDARELTES ETKSLMDAADNDGDGKIGAD EFQEMVHS ; _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 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1OMD . "Structure Of Oncomodulin Refined At 1.85 Angstroms Resolution. An Example Of Extensive Molecular Aggregation Via Ca2+" . . . . . 100.00 108 100.00 100.00 3.74e-70 . . . . 7322 1 2 no PDB 1RRO . "Refinement Of Recombinant Oncomodulin At 1.30 Angstroms Resolution" . . . . . 100.00 108 100.00 100.00 3.74e-70 . . . . 7322 1 3 no PDB 2NLN . "Solution Structure Of Calcium-Free Rat Beta-Parvalbumin" . . . . . 100.00 108 100.00 100.00 3.74e-70 . . . . 7322 1 4 no EMBL CAA33840 . "oncomodulin [Rattus norvegicus]" . . . . . 100.00 109 100.00 100.00 2.81e-70 . . . . 7322 1 5 no GB AAA41756 . "oncomodulin [Rattus norvegicus]" . . . . . 100.00 109 100.00 100.00 2.81e-70 . . . . 7322 1 6 no GB EDL89641 . "oncomodulin, isoform CRA_a [Rattus norvegicus]" . . . . . 100.00 109 100.00 100.00 2.81e-70 . . . . 7322 1 7 no GB EDL89642 . "oncomodulin, isoform CRA_a [Rattus norvegicus]" . . . . . 100.00 109 100.00 100.00 2.81e-70 . . . . 7322 1 8 no REF NP_037127 . "oncomodulin [Rattus norvegicus]" . . . . . 100.00 109 100.00 100.00 2.81e-70 . . . . 7322 1 9 no REF XP_006248914 . "PREDICTED: oncomodulin isoform X1 [Rattus norvegicus]" . . . . . 100.00 129 100.00 100.00 2.21e-70 . . . . 7322 1 10 no SP P02631 . "RecName: Full=Oncomodulin; Short=OM; AltName: Full=Parvalbumin beta [Rattus norvegicus]" . . . . . 100.00 109 100.00 100.00 2.81e-70 . . . . 7322 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 . SER . 7322 1 2 . ILE . 7322 1 3 . THR . 7322 1 4 . ASP . 7322 1 5 . ILE . 7322 1 6 . LEU . 7322 1 7 . SER . 7322 1 8 . ALA . 7322 1 9 . GLU . 7322 1 10 . ASP . 7322 1 11 . ILE . 7322 1 12 . ALA . 7322 1 13 . ALA . 7322 1 14 . ALA . 7322 1 15 . LEU . 7322 1 16 . GLN . 7322 1 17 . GLU . 7322 1 18 . CYS . 7322 1 19 . GLN . 7322 1 20 . ASP . 7322 1 21 . PRO . 7322 1 22 . ASP . 7322 1 23 . THR . 7322 1 24 . PHE . 7322 1 25 . GLU . 7322 1 26 . PRO . 7322 1 27 . GLN . 7322 1 28 . LYS . 7322 1 29 . PHE . 7322 1 30 . PHE . 7322 1 31 . GLN . 7322 1 32 . THR . 7322 1 33 . SER . 7322 1 34 . GLY . 7322 1 35 . LEU . 7322 1 36 . SER . 7322 1 37 . LYS . 7322 1 38 . MET . 7322 1 39 . SER . 7322 1 40 . ALA . 7322 1 41 . SER . 7322 1 42 . GLN . 7322 1 43 . VAL . 7322 1 44 . LYS . 7322 1 45 . ASP . 7322 1 46 . ILE . 7322 1 47 . PHE . 7322 1 48 . ARG . 7322 1 49 . PHE . 7322 1 50 . ILE . 7322 1 51 . ASP . 7322 1 52 . ASN . 7322 1 53 . ASP . 7322 1 54 . GLN . 7322 1 55 . SER . 7322 1 56 . GLY . 7322 1 57 . TYR . 7322 1 58 . LEU . 7322 1 59 . ASP . 7322 1 60 . GLY . 7322 1 61 . ASP . 7322 1 62 . GLU . 7322 1 63 . LEU . 7322 1 64 . LYS . 7322 1 65 . TYR . 7322 1 66 . PHE . 7322 1 67 . LEU . 7322 1 68 . GLN . 7322 1 69 . LYS . 7322 1 70 . PHE . 7322 1 71 . GLN . 7322 1 72 . SER . 7322 1 73 . ASP . 7322 1 74 . ALA . 7322 1 75 . ARG . 7322 1 76 . GLU . 7322 1 77 . LEU . 7322 1 78 . THR . 7322 1 79 . GLU . 7322 1 80 . SER . 7322 1 81 . GLU . 7322 1 82 . THR . 7322 1 83 . LYS . 7322 1 84 . SER . 7322 1 85 . LEU . 7322 1 86 . MET . 7322 1 87 . ASP . 7322 1 88 . ALA . 7322 1 89 . ALA . 7322 1 90 . ASP . 7322 1 91 . ASN . 7322 1 92 . ASP . 7322 1 93 . GLY . 7322 1 94 . ASP . 7322 1 95 . GLY . 7322 1 96 . LYS . 7322 1 97 . ILE . 7322 1 98 . GLY . 7322 1 99 . ALA . 7322 1 100 . ASP . 7322 1 101 . GLU . 7322 1 102 . PHE . 7322 1 103 . GLN . 7322 1 104 . GLU . 7322 1 105 . MET . 7322 1 106 . VAL . 7322 1 107 . HIS . 7322 1 108 . SER . 7322 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 . SER 1 1 7322 1 . ILE 2 2 7322 1 . THR 3 3 7322 1 . ASP 4 4 7322 1 . ILE 5 5 7322 1 . LEU 6 6 7322 1 . SER 7 7 7322 1 . ALA 8 8 7322 1 . GLU 9 9 7322 1 . ASP 10 10 7322 1 . ILE 11 11 7322 1 . ALA 12 12 7322 1 . ALA 13 13 7322 1 . ALA 14 14 7322 1 . LEU 15 15 7322 1 . GLN 16 16 7322 1 . GLU 17 17 7322 1 . CYS 18 18 7322 1 . GLN 19 19 7322 1 . ASP 20 20 7322 1 . PRO 21 21 7322 1 . ASP 22 22 7322 1 . THR 23 23 7322 1 . PHE 24 24 7322 1 . GLU 25 25 7322 1 . PRO 26 26 7322 1 . GLN 27 27 7322 1 . LYS 28 28 7322 1 . PHE 29 29 7322 1 . PHE 30 30 7322 1 . GLN 31 31 7322 1 . THR 32 32 7322 1 . SER 33 33 7322 1 . GLY 34 34 7322 1 . LEU 35 35 7322 1 . SER 36 36 7322 1 . LYS 37 37 7322 1 . MET 38 38 7322 1 . SER 39 39 7322 1 . ALA 40 40 7322 1 . SER 41 41 7322 1 . GLN 42 42 7322 1 . VAL 43 43 7322 1 . LYS 44 44 7322 1 . ASP 45 45 7322 1 . ILE 46 46 7322 1 . PHE 47 47 7322 1 . ARG 48 48 7322 1 . PHE 49 49 7322 1 . ILE 50 50 7322 1 . ASP 51 51 7322 1 . ASN 52 52 7322 1 . ASP 53 53 7322 1 . GLN 54 54 7322 1 . SER 55 55 7322 1 . GLY 56 56 7322 1 . TYR 57 57 7322 1 . LEU 58 58 7322 1 . ASP 59 59 7322 1 . GLY 60 60 7322 1 . ASP 61 61 7322 1 . GLU 62 62 7322 1 . LEU 63 63 7322 1 . LYS 64 64 7322 1 . TYR 65 65 7322 1 . PHE 66 66 7322 1 . LEU 67 67 7322 1 . GLN 68 68 7322 1 . LYS 69 69 7322 1 . PHE 70 70 7322 1 . GLN 71 71 7322 1 . SER 72 72 7322 1 . ASP 73 73 7322 1 . ALA 74 74 7322 1 . ARG 75 75 7322 1 . GLU 76 76 7322 1 . LEU 77 77 7322 1 . THR 78 78 7322 1 . GLU 79 79 7322 1 . SER 80 80 7322 1 . GLU 81 81 7322 1 . THR 82 82 7322 1 . LYS 83 83 7322 1 . SER 84 84 7322 1 . LEU 85 85 7322 1 . MET 86 86 7322 1 . ASP 87 87 7322 1 . ALA 88 88 7322 1 . ALA 89 89 7322 1 . ASP 90 90 7322 1 . ASN 91 91 7322 1 . ASP 92 92 7322 1 . GLY 93 93 7322 1 . ASP 94 94 7322 1 . GLY 95 95 7322 1 . LYS 96 96 7322 1 . ILE 97 97 7322 1 . GLY 98 98 7322 1 . ALA 99 99 7322 1 . ASP 100 100 7322 1 . GLU 101 101 7322 1 . PHE 102 102 7322 1 . GLN 103 103 7322 1 . GLU 104 104 7322 1 . MET 105 105 7322 1 . VAL 106 106 7322 1 . HIS 107 107 7322 1 . SER 108 108 7322 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 7322 _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 $rat_beta-parvalbumin . 100116 . no . Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 7322 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 7322 _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 $rat_beta-parvalbumin . 'recombinant technology' . 'E. coli' . . Escherichia coli . . . . . . . . . . . . . plasmid . . pBluescript . Stratagene . . . . 7322 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7322 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 oncomodulin '[U-95% 13C; U-95% 15N]' . . 1 $rat_beta-parvalbumin . protein 4 3.8 4.2 mM 0.2 . . . 7322 1 2 'sodium chloride' . . . . . . salt 150 149 151 mM 1 . . . 7322 1 3 Mes . . . . . . buffer 10 9.9 10.1 mM 0.1 . . . 7322 1 4 EDTA . . . . . . salt 5 4.9 5.1 mM 0.1 . . . 7322 1 5 'deuterium oxide' . . . . . . solvent 10 9 11 'per cent' 1 . . . 7322 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7322 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 oncomodulin '[U-95% 15N]' . . 1 $rat_beta-parvalbumin . protein 4 3.8 4.2 mM 0.2 . . . 7322 2 2 'sodium chloride' . . . . . . salt 150 149 151 mM 1 . . . 7322 2 3 Mes . . . . . . buffer 10 9.9 10.1 mM 0.1 . . . 7322 2 4 'deuterium oxide' . . . . . . solvent 10 9 11 'per cent' 1 . . . 7322 2 5 EDTA . . . . . . salt 5 4.9 5.1 mM 0.1 . . . 7322 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7322 _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' 170 10 mM 7322 1 pH 6.0 0.05 pH 7322 1 temperature 293 0.2 K 7322 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 7322 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7322 _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 1H15N_HSQC no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7322 1 2 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7322 1 3 HN(CA)CO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7322 1 4 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7322 1 5 HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7322 1 6 CBCACONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7322 1 7 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7322 1 8 CCONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7322 1 9 HCCONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7322 1 10 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7322 1 11 HBHACONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7322 1 12 1H15N_TOCSY_HSQC no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7322 1 13 HBCBCGCDHD no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7322 1 14 HBCBCGCDCEHE no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7322 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7322 _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 0.0 . indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 7322 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . 1 $citation_1 . . 1 $citation_1 7322 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 7322 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7322 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 1H15N_HSQC 2 $sample_2 isotropic 7322 1 2 HNCO 1 $sample_1 isotropic 7322 1 3 HN(CA)CO 1 $sample_1 isotropic 7322 1 4 HNCA 1 $sample_1 isotropic 7322 1 5 HN(CO)CA 1 $sample_1 isotropic 7322 1 6 CBCACONH 1 $sample_1 isotropic 7322 1 7 HNCACB 1 $sample_1 isotropic 7322 1 8 CCONH 1 $sample_1 isotropic 7322 1 9 HCCONH 1 $sample_1 isotropic 7322 1 10 HCCH-TOCSY 1 $sample_1 isotropic 7322 1 11 HBHACONH 1 $sample_1 isotropic 7322 1 12 1H15N_TOCSY_HSQC 2 $sample_2 isotropic 7322 1 13 HBCBCGCDHD 1 $sample_1 isotropic 7322 1 14 HBCBCGCDCEHE 1 $sample_1 isotropic 7322 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 . $software_1 . . 7322 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 2.940 0.02 . 1 . . . . 1 SER HA . 7322 1 2 . 1 1 1 1 SER HB2 H 1 3.84 0.02 . 2 . . . . 1 SER HB2 . 7322 1 3 . 1 1 1 1 SER HB3 H 1 3.75 0.02 . 2 . . . . 1 SER HB3 . 7322 1 4 . 1 1 1 1 SER C C 13 172.800 0.10 . 1 . . . . 1 SER C . 7322 1 5 . 1 1 1 1 SER CA C 13 57.120 0.05 . 1 . . . . 1 SER CA . 7322 1 6 . 1 1 1 1 SER CB C 13 63.020 0.05 . 1 . . . . 1 SER CB . 7322 1 7 . 1 1 2 2 ILE H H 1 8.690 0.02 . 1 . . . . 2 ILE H . 7322 1 8 . 1 1 2 2 ILE HA H 1 3.480 0.02 . 1 . . . . 2 ILE HA . 7322 1 9 . 1 1 2 2 ILE HB H 1 1.542 0.02 . 1 . . . . 2 ILE HB . 7322 1 10 . 1 1 2 2 ILE HG12 H 1 1.496 0.02 . 2 . . . . 2 ILE HG12 . 7322 1 11 . 1 1 2 2 ILE HG13 H 1 0.967 0.02 . 2 . . . . 2 ILE HG13 . 7322 1 12 . 1 1 2 2 ILE HG21 H 1 0.882 0.02 . 1 . . . . 2 ILE HG2 . 7322 1 13 . 1 1 2 2 ILE HG22 H 1 0.882 0.02 . 1 . . . . 2 ILE HG2 . 7322 1 14 . 1 1 2 2 ILE HG23 H 1 0.882 0.02 . 1 . . . . 2 ILE HG2 . 7322 1 15 . 1 1 2 2 ILE HD11 H 1 0.336 0.02 . 1 . . . . 2 ILE HD1 . 7322 1 16 . 1 1 2 2 ILE HD12 H 1 0.336 0.02 . 1 . . . . 2 ILE HD1 . 7322 1 17 . 1 1 2 2 ILE HD13 H 1 0.336 0.02 . 1 . . . . 2 ILE HD1 . 7322 1 18 . 1 1 2 2 ILE C C 13 177.100 0.10 . 1 . . . . 2 ILE C . 7322 1 19 . 1 1 2 2 ILE CA C 13 65.931 0.05 . 1 . . . . 2 ILE CA . 7322 1 20 . 1 1 2 2 ILE CB C 13 37.813 0.05 . 1 . . . . 2 ILE CB . 7322 1 21 . 1 1 2 2 ILE CG1 C 13 30.548 0.05 . 1 . . . . 2 ILE CG1 . 7322 1 22 . 1 1 2 2 ILE CG2 C 13 17.800 0.05 . 1 . . . . 2 ILE CG2 . 7322 1 23 . 1 1 2 2 ILE CD1 C 13 13.46 0.05 . 1 . . . . 2 ILE CD1 . 7322 1 24 . 1 1 2 2 ILE N N 15 122.000 0.05 . 1 . . . . 2 ILE N . 7322 1 25 . 1 1 3 3 THR H H 1 7.478 0.02 . 1 . . . . 3 THR H . 7322 1 26 . 1 1 3 3 THR HA H 1 4.580 0.02 . 1 . . . . 3 THR HA . 7322 1 27 . 1 1 3 3 THR HB H 1 4.530 0.02 . 1 . . . . 3 THR HB . 7322 1 28 . 1 1 3 3 THR HG21 H 1 1.175 0.02 . 1 . . . . 3 THR HG2 . 7322 1 29 . 1 1 3 3 THR HG22 H 1 1.175 0.02 . 1 . . . . 3 THR HG2 . 7322 1 30 . 1 1 3 3 THR HG23 H 1 1.175 0.02 . 1 . . . . 3 THR HG2 . 7322 1 31 . 1 1 3 3 THR C C 13 174.370 0.05 . 1 . . . . 3 THR C . 7322 1 32 . 1 1 3 3 THR CA C 13 62.870 0.05 . 1 . . . . 3 THR CA . 7322 1 33 . 1 1 3 3 THR CB C 13 67.568 0.05 . 1 . . . . 3 THR CB . 7322 1 34 . 1 1 3 3 THR CG2 C 13 22.530 0.05 . 1 . . . . 3 THR CG2 . 7322 1 35 . 1 1 3 3 THR N N 15 108.800 0.05 . 1 . . . . 3 THR N . 7322 1 36 . 1 1 4 4 ASP H H 1 7.397 0.02 . 1 . . . . 4 ASP H . 7322 1 37 . 1 1 4 4 ASP HA H 1 4.748 0.02 . 1 . . . . 4 ASP HA . 7322 1 38 . 1 1 4 4 ASP HB2 H 1 2.84 0.02 . 1 . . . . 4 ASP HB2 . 7322 1 39 . 1 1 4 4 ASP HB3 H 1 2.84 0.02 . 1 . . . . 4 ASP HB3 . 7322 1 40 . 1 1 4 4 ASP C C 13 175.930 0.05 . 1 . . . . 4 ASP C . 7322 1 41 . 1 1 4 4 ASP CA C 13 55.497 0.05 . 1 . . . . 4 ASP CA . 7322 1 42 . 1 1 4 4 ASP CB C 13 41.400 0.05 . 1 . . . . 4 ASP CB . 7322 1 43 . 1 1 4 4 ASP N N 15 118.102 0.02 . 1 . . . . 4 ASP N . 7322 1 44 . 1 1 5 5 ILE H H 1 7.475 0.02 . 1 . . . . 5 ILE H . 7322 1 45 . 1 1 5 5 ILE HA H 1 4.105 0.02 . 1 . . . . 5 ILE HA . 7322 1 46 . 1 1 5 5 ILE HB H 1 1.720 0.02 . 1 . . . . 5 ILE HB . 7322 1 47 . 1 1 5 5 ILE HG12 H 1 1.636 0.02 . 2 . . . . 5 ILE HG12 . 7322 1 48 . 1 1 5 5 ILE HG13 H 1 1.080 0.02 . 2 . . . . 5 ILE HG13 . 7322 1 49 . 1 1 5 5 ILE HG21 H 1 1.062 0.02 . 1 . . . . 5 ILE HG2 . 7322 1 50 . 1 1 5 5 ILE HG22 H 1 1.062 0.02 . 1 . . . . 5 ILE HG2 . 7322 1 51 . 1 1 5 5 ILE HG23 H 1 1.062 0.02 . 1 . . . . 5 ILE HG2 . 7322 1 52 . 1 1 5 5 ILE HD11 H 1 1.007 0.02 . 1 . . . . 5 ILE HD1 . 7322 1 53 . 1 1 5 5 ILE HD12 H 1 1.007 0.02 . 1 . . . . 5 ILE HD1 . 7322 1 54 . 1 1 5 5 ILE HD13 H 1 1.007 0.02 . 1 . . . . 5 ILE HD1 . 7322 1 55 . 1 1 5 5 ILE C C 13 175.930 0.05 . 1 . . . . 5 ILE C . 7322 1 56 . 1 1 5 5 ILE CA C 13 63.305 0.05 . 1 . . . . 5 ILE CA . 7322 1 57 . 1 1 5 5 ILE CB C 13 41.004 0.05 . 1 . . . . 5 ILE CB . 7322 1 58 . 1 1 5 5 ILE CG1 C 13 27.500 0.05 . 1 . . . . 5 ILE CG1 . 7322 1 59 . 1 1 5 5 ILE CG2 C 13 18.300 0.05 . 1 . . . . 5 ILE CG2 . 7322 1 60 . 1 1 5 5 ILE CD1 C 13 14.700 0.05 . 1 . . . . 5 ILE CD1 . 7322 1 61 . 1 1 5 5 ILE N N 15 119.024 0.05 . 1 . . . . 5 ILE N . 7322 1 62 . 1 1 6 6 LEU H H 1 7.927 0.02 . 1 . . . . 6 LEU H . 7322 1 63 . 1 1 6 6 LEU HA H 1 4.473 0.02 . 1 . . . . 6 LEU HA . 7322 1 64 . 1 1 6 6 LEU HB2 H 1 1.589 0.02 . 2 . . . . 6 LEU HB2 . 7322 1 65 . 1 1 6 6 LEU HB3 H 1 1.645 0.02 . 2 . . . . 6 LEU HB3 . 7322 1 66 . 1 1 6 6 LEU HG H 1 1.744 0.02 . 1 . . . . 6 LEU HG . 7322 1 67 . 1 1 6 6 LEU HD11 H 1 0.944 0.02 . 2 . . . . 6 LEU HD1 . 7322 1 68 . 1 1 6 6 LEU HD12 H 1 0.944 0.02 . 2 . . . . 6 LEU HD1 . 7322 1 69 . 1 1 6 6 LEU HD13 H 1 0.944 0.02 . 2 . . . . 6 LEU HD1 . 7322 1 70 . 1 1 6 6 LEU HD21 H 1 1.046 0.02 . 2 . . . . 6 LEU HD2 . 7322 1 71 . 1 1 6 6 LEU HD22 H 1 1.046 0.02 . 2 . . . . 6 LEU HD2 . 7322 1 72 . 1 1 6 6 LEU HD23 H 1 1.046 0.02 . 2 . . . . 6 LEU HD2 . 7322 1 73 . 1 1 6 6 LEU C C 13 175.930 0.05 . 1 . . . . 6 LEU C . 7322 1 74 . 1 1 6 6 LEU CA C 13 53.229 0.05 . 1 . . . . 6 LEU CA . 7322 1 75 . 1 1 6 6 LEU CB C 13 43.600 0.05 . 1 . . . . 6 LEU CB . 7322 1 76 . 1 1 6 6 LEU CG C 13 27.200 0.05 . 1 . . . . 6 LEU CG . 7322 1 77 . 1 1 6 6 LEU CD1 C 13 22.400 0.05 . 1 . . . . 6 LEU CD1 . 7322 1 78 . 1 1 6 6 LEU CD2 C 13 25.700 0.05 . 1 . . . . 6 LEU CD2 . 7322 1 79 . 1 1 6 6 LEU N N 15 117.884 0.05 . 1 . . . . 6 LEU N . 7322 1 80 . 1 1 7 7 SER H H 1 8.663 0.02 . 1 . . . . 7 SER H . 7322 1 81 . 1 1 7 7 SER HA H 1 4.620 0.02 . 1 . . . . 7 SER HA . 7322 1 82 . 1 1 7 7 SER HB2 H 1 4.066 0.02 . 2 . . . . 7 SER HB2 . 7322 1 83 . 1 1 7 7 SER HB3 H 1 3.932 0.02 . 2 . . . . 7 SER HB3 . 7322 1 84 . 1 1 7 7 SER C C 13 176.710 0.05 . 1 . . . . 7 SER C . 7322 1 85 . 1 1 7 7 SER CA C 13 56.554 0.05 . 1 . . . . 7 SER CA . 7322 1 86 . 1 1 7 7 SER CB C 13 63.733 0.05 . 1 . . . . 7 SER CB . 7322 1 87 . 1 1 7 7 SER N N 15 113.900 0.05 . 1 . . . . 7 SER N . 7322 1 88 . 1 1 8 8 ALA H H 1 9.409 0.02 . 1 . . . . 8 ALA H . 7322 1 89 . 1 1 8 8 ALA HA H 1 3.968 0.02 . 1 . . . . 8 ALA HA . 7322 1 90 . 1 1 8 8 ALA HB1 H 1 1.50 0.02 . 1 . . . . 8 ALA HB . 7322 1 91 . 1 1 8 8 ALA HB2 H 1 1.50 0.02 . 1 . . . . 8 ALA HB . 7322 1 92 . 1 1 8 8 ALA HB3 H 1 1.50 0.02 . 1 . . . . 8 ALA HB . 7322 1 93 . 1 1 8 8 ALA C C 13 180.230 0.05 . 1 . . . . 8 ALA C . 7322 1 94 . 1 1 8 8 ALA CA C 13 55.460 0.05 . 1 . . . . 8 ALA CA . 7322 1 95 . 1 1 8 8 ALA CB C 13 18.309 0.05 . 1 . . . . 8 ALA CB . 7322 1 96 . 1 1 8 8 ALA N N 15 131.200 0.05 . 1 . . . . 8 ALA N . 7322 1 97 . 1 1 9 9 GLU H H 1 8.622 0.02 . 1 . . . . 9 GLU H . 7322 1 98 . 1 1 9 9 GLU HA H 1 4.067 0.02 . 1 . . . . 9 GLU HA . 7322 1 99 . 1 1 9 9 GLU HB2 H 1 1.958 0.02 . 1 . . . . 9 GLU HB2 . 7322 1 100 . 1 1 9 9 GLU HB3 H 1 1.958 0.02 . 1 . . . . 9 GLU HB3 . 7322 1 101 . 1 1 9 9 GLU HG2 H 1 2.296 0.02 . 1 . . . . 9 GLU HG2 . 7322 1 102 . 1 1 9 9 GLU HG3 H 1 2.296 0.02 . 1 . . . . 9 GLU HG3 . 7322 1 103 . 1 1 9 9 GLU C C 13 179.060 0.05 . 1 . . . . 9 GLU C . 7322 1 104 . 1 1 9 9 GLU CA C 13 59.545 0.05 . 1 . . . . 9 GLU CA . 7322 1 105 . 1 1 9 9 GLU CB C 13 29.257 0.05 . 1 . . . . 9 GLU CB . 7322 1 106 . 1 1 9 9 GLU CG C 13 36.500 0.05 . 1 . . . . 9 GLU CG . 7322 1 107 . 1 1 9 9 GLU N N 15 118.101 0.05 . 1 . . . . 9 GLU N . 7322 1 108 . 1 1 10 10 ASP H H 1 7.366 0.02 . 1 . . . . 10 ASP H . 7322 1 109 . 1 1 10 10 ASP HA H 1 4.424 0.02 . 1 . . . . 10 ASP HA . 7322 1 110 . 1 1 10 10 ASP HB2 H 1 2.780 0.02 . 1 . . . . 10 ASP HB2 . 7322 1 111 . 1 1 10 10 ASP HB3 H 1 3.080 0.02 . 1 . . . . 10 ASP HB3 . 7322 1 112 . 1 1 10 10 ASP C C 13 178.670 0.05 . 1 . . . . 10 ASP C . 7322 1 113 . 1 1 10 10 ASP CA C 13 57.021 0.05 . 1 . . . . 10 ASP CA . 7322 1 114 . 1 1 10 10 ASP CB C 13 39.407 0.05 . 1 . . . . 10 ASP CB . 7322 1 115 . 1 1 10 10 ASP N N 15 123.1 0.05 . 1 . . . . 10 ASP N . 7322 1 116 . 1 1 11 11 ILE H H 1 8.058 0.02 . 1 . . . . 11 ILE H . 7322 1 117 . 1 1 11 11 ILE HA H 1 3.193 0.02 . 1 . . . . 11 ILE HA . 7322 1 118 . 1 1 11 11 ILE HB H 1 1.878 0.02 . 1 . . . . 11 ILE HB . 7322 1 119 . 1 1 11 11 ILE HG12 H 1 1.881 0.02 . 2 . . . . 11 ILE HG12 . 7322 1 120 . 1 1 11 11 ILE HG13 H 1 0.876 0.02 . 2 . . . . 11 ILE HG13 . 7322 1 121 . 1 1 11 11 ILE HG21 H 1 0.958 0.02 . 1 . . . . 11 ILE HG2 . 7322 1 122 . 1 1 11 11 ILE HG22 H 1 0.958 0.02 . 1 . . . . 11 ILE HG2 . 7322 1 123 . 1 1 11 11 ILE HG23 H 1 0.958 0.02 . 1 . . . . 11 ILE HG2 . 7322 1 124 . 1 1 11 11 ILE HD11 H 1 0.948 0.02 . 1 . . . . 11 ILE HD1 . 7322 1 125 . 1 1 11 11 ILE HD12 H 1 0.948 0.02 . 1 . . . . 11 ILE HD1 . 7322 1 126 . 1 1 11 11 ILE HD13 H 1 0.948 0.02 . 1 . . . . 11 ILE HD1 . 7322 1 127 . 1 1 11 11 ILE C C 13 177.100 0.05 . 1 . . . . 11 ILE C . 7322 1 128 . 1 1 11 11 ILE CA C 13 66.029 0.05 . 1 . . . . 11 ILE CA . 7322 1 129 . 1 1 11 11 ILE CB C 13 38.273 0.05 . 1 . . . . 11 ILE CB . 7322 1 130 . 1 1 11 11 ILE CG1 C 13 29.86 0.05 . 1 . . . . 11 ILE CG1 . 7322 1 131 . 1 1 11 11 ILE CG2 C 13 18.600 0.05 . 1 . . . . 11 ILE CG2 . 7322 1 132 . 1 1 11 11 ILE CD1 C 13 14.500 0.05 . 1 . . . . 11 ILE CD1 . 7322 1 133 . 1 1 11 11 ILE N N 15 120.400 0.05 . 1 . . . . 11 ILE N . 7322 1 134 . 1 1 12 12 ALA H H 1 8.097 0.02 . 1 . . . . 12 ALA H . 7322 1 135 . 1 1 12 12 ALA HA H 1 4.035 0.02 . 1 . . . . 12 ALA HA . 7322 1 136 . 1 1 12 12 ALA HB1 H 1 1.470 0.02 . 1 . . . . 12 ALA HB . 7322 1 137 . 1 1 12 12 ALA HB2 H 1 1.470 0.02 . 1 . . . . 12 ALA HB . 7322 1 138 . 1 1 12 12 ALA HB3 H 1 1.470 0.02 . 1 . . . . 12 ALA HB . 7322 1 139 . 1 1 12 12 ALA C C 13 181.010 0.05 . 1 . . . . 12 ALA C . 7322 1 140 . 1 1 12 12 ALA CA C 13 55.337 0.05 . 1 . . . . 12 ALA CA . 7322 1 141 . 1 1 12 12 ALA CB C 13 17.705 0.05 . 1 . . . . 12 ALA CB . 7322 1 142 . 1 1 12 12 ALA N N 15 120.600 0.05 . 1 . . . . 12 ALA N . 7322 1 143 . 1 1 13 13 ALA H H 1 7.823 0.02 . 1 . . . . 13 ALA H . 7322 1 144 . 1 1 13 13 ALA HA H 1 4.062 0.02 . 1 . . . . 13 ALA HA . 7322 1 145 . 1 1 13 13 ALA HB1 H 1 1.414 0.02 . 1 . . . . 13 ALA HB . 7322 1 146 . 1 1 13 13 ALA HB2 H 1 1.414 0.02 . 1 . . . . 13 ALA HB . 7322 1 147 . 1 1 13 13 ALA HB3 H 1 1.414 0.02 . 1 . . . . 13 ALA HB . 7322 1 148 . 1 1 13 13 ALA C C 13 180.230 0.05 . 1 . . . . 13 ALA C . 7322 1 149 . 1 1 13 13 ALA CA C 13 54.934 0.05 . 1 . . . . 13 ALA CA . 7322 1 150 . 1 1 13 13 ALA CB C 13 17.721 0.05 . 1 . . . . 13 ALA CB . 7322 1 151 . 1 1 13 13 ALA N N 15 121.300 0.05 . 1 . . . . 13 ALA N . 7322 1 152 . 1 1 14 14 ALA H H 1 8.255 0.02 . 1 . . . . 14 ALA H . 7322 1 153 . 1 1 14 14 ALA HA H 1 3.903 0.02 . 1 . . . . 14 ALA HA . 7322 1 154 . 1 1 14 14 ALA HB1 H 1 0.992 0.02 . 1 . . . . 14 ALA HB . 7322 1 155 . 1 1 14 14 ALA HB2 H 1 0.992 0.02 . 1 . . . . 14 ALA HB . 7322 1 156 . 1 1 14 14 ALA HB3 H 1 0.992 0.02 . 1 . . . . 14 ALA HB . 7322 1 157 . 1 1 14 14 ALA C C 13 180.620 0.05 . 1 . . . . 14 ALA C . 7322 1 158 . 1 1 14 14 ALA CA C 13 54.469 0.05 . 1 . . . . 14 ALA CA . 7322 1 159 . 1 1 14 14 ALA CB C 13 18.412 0.05 . 1 . . . . 14 ALA CB . 7322 1 160 . 1 1 14 14 ALA N N 15 123.500 0.05 . 1 . . . . 14 ALA N . 7322 1 161 . 1 1 15 15 LEU H H 1 8.459 0.02 . 1 . . . . 15 LEU H . 7322 1 162 . 1 1 15 15 LEU HA H 1 4.327 0.02 . 1 . . . . 15 LEU HA . 7322 1 163 . 1 1 15 15 LEU HB2 H 1 1.509 0.02 . 2 . . . . 15 LEU HB2 . 7322 1 164 . 1 1 15 15 LEU HB3 H 1 1.916 0.02 . 2 . . . . 15 LEU HB3 . 7322 1 165 . 1 1 15 15 LEU HG H 1 1.941 0.02 . 1 . . . . 15 LEU HG . 7322 1 166 . 1 1 15 15 LEU HD11 H 1 0.982 0.02 . 2 . . . . 15 LEU HD1 . 7322 1 167 . 1 1 15 15 LEU HD12 H 1 0.982 0.02 . 2 . . . . 15 LEU HD1 . 7322 1 168 . 1 1 15 15 LEU HD13 H 1 0.982 0.02 . 2 . . . . 15 LEU HD1 . 7322 1 169 . 1 1 15 15 LEU HD21 H 1 0.905 0.02 . 2 . . . . 15 LEU HD2 . 7322 1 170 . 1 1 15 15 LEU HD22 H 1 0.905 0.02 . 2 . . . . 15 LEU HD2 . 7322 1 171 . 1 1 15 15 LEU HD23 H 1 0.905 0.02 . 2 . . . . 15 LEU HD2 . 7322 1 172 . 1 1 15 15 LEU C C 13 180.620 0.05 . 1 . . . . 15 LEU C . 7322 1 173 . 1 1 15 15 LEU CA C 13 56.807 0.05 . 1 . . . . 15 LEU CA . 7322 1 174 . 1 1 15 15 LEU CB C 13 40.966 0.05 . 1 . . . . 15 LEU CB . 7322 1 175 . 1 1 15 15 LEU CG C 13 27.3 0.05 . 1 . . . . 15 LEU CG . 7322 1 176 . 1 1 15 15 LEU CD1 C 13 25.3 0.05 . 1 . . . . 15 LEU CD1 . 7322 1 177 . 1 1 15 15 LEU CD2 C 13 27.4 0.05 . 1 . . . . 15 LEU CD2 . 7322 1 178 . 1 1 15 15 LEU N N 15 118.715 0.05 . 1 . . . . 15 LEU N . 7322 1 179 . 1 1 16 16 GLN H H 1 8.360 0.02 . 1 . . . . 16 GLN H . 7322 1 180 . 1 1 16 16 GLN HA H 1 4.055 0.02 . 1 . . . . 16 GLN HA . 7322 1 181 . 1 1 16 16 GLN HB2 H 1 2.141 0.02 . 1 . . . . 16 GLN HB2 . 7322 1 182 . 1 1 16 16 GLN HB3 H 1 2.141 0.02 . 1 . . . . 16 GLN HB3 . 7322 1 183 . 1 1 16 16 GLN HG2 H 1 2.380 0.02 . 2 . . . . 16 GLN HG2 . 7322 1 184 . 1 1 16 16 GLN HG3 H 1 2.430 0.02 . 2 . . . . 16 GLN HG3 . 7322 1 185 . 1 1 16 16 GLN HE21 H 1 7.450 0.02 . 2 . . . . 16 GLN HE21 . 7322 1 186 . 1 1 16 16 GLN HE22 H 1 6.761 0.02 . 2 . . . . 16 GLN HE22 . 7322 1 187 . 1 1 16 16 GLN C C 13 179.050 0.05 . 1 . . . . 16 GLN C . 7322 1 188 . 1 1 16 16 GLN CA C 13 58.956 0.05 . 1 . . . . 16 GLN CA . 7322 1 189 . 1 1 16 16 GLN CB C 13 28.104 0.05 . 1 . . . . 16 GLN CB . 7322 1 190 . 1 1 16 16 GLN CG C 13 33.814 0.05 . 1 . . . . 16 GLN CG . 7322 1 191 . 1 1 16 16 GLN N N 15 121.700 0.05 . 1 . . . . 16 GLN N . 7322 1 192 . 1 1 16 16 GLN NE2 N 15 111.684 0.05 . 1 . . . . 16 GLN NE2 . 7322 1 193 . 1 1 17 17 GLU H H 1 7.632 0.02 . 1 . . . . 17 GLU H . 7322 1 194 . 1 1 17 17 GLU HA H 1 4.222 0.02 . 1 . . . . 17 GLU HA . 7322 1 195 . 1 1 17 17 GLU HB2 H 1 2.103 0.02 . 2 . . . . 17 GLU HB2 . 7322 1 196 . 1 1 17 17 GLU HB3 H 1 2.223 0.02 . 2 . . . . 17 GLU HB3 . 7322 1 197 . 1 1 17 17 GLU HG2 H 1 2.351 0.02 . 1 . . . . 17 GLU HG2 . 7322 1 198 . 1 1 17 17 GLU HG3 H 1 2.351 0.02 . 1 . . . . 17 GLU HG3 . 7322 1 199 . 1 1 17 17 GLU C C 13 176.710 0.05 . 1 . . . . 17 GLU C . 7322 1 200 . 1 1 17 17 GLU CA C 13 57.743 0.05 . 1 . . . . 17 GLU CA . 7322 1 201 . 1 1 17 17 GLU CB C 13 30.200 0.05 . 1 . . . . 17 GLU CB . 7322 1 202 . 1 1 17 17 GLU CG C 13 36.35 0.05 . 1 . . . . 17 GLU CG . 7322 1 203 . 1 1 17 17 GLU N N 15 116.511 0.05 . 1 . . . . 17 GLU N . 7322 1 204 . 1 1 18 18 CYS H H 1 7.413 0.02 . 1 . . . . 18 CYS H . 7322 1 205 . 1 1 18 18 CYS HA H 1 5.694 0.02 . 1 . . . . 18 CYS HA . 7322 1 206 . 1 1 18 18 CYS HB2 H 1 2.844 0.02 . 2 . . . . 18 CYS HB2 . 7322 1 207 . 1 1 18 18 CYS HB3 H 1 3.186 0.02 . 2 . . . . 18 CYS HB3 . 7322 1 208 . 1 1 18 18 CYS C C 13 174.370 0.05 . 1 . . . . 18 CYS C . 7322 1 209 . 1 1 18 18 CYS CA C 13 54.67 0.05 . 1 . . . . 18 CYS CA . 7322 1 210 . 1 1 18 18 CYS CB C 13 27.799 0.05 . 1 . . . . 18 CYS CB . 7322 1 211 . 1 1 18 18 CYS N N 15 112.900 0.05 . 1 . . . . 18 CYS N . 7322 1 212 . 1 1 19 19 GLN H H 1 7.155 0.02 . 1 . . . . 19 GLN H . 7322 1 213 . 1 1 19 19 GLN HA H 1 4.153 0.02 . 1 . . . . 19 GLN HA . 7322 1 214 . 1 1 19 19 GLN HB2 H 1 2.071 0.02 . 2 . . . . 19 GLN HB2 . 7322 1 215 . 1 1 19 19 GLN HB3 H 1 2.264 0.02 . 2 . . . . 19 GLN HB3 . 7322 1 216 . 1 1 19 19 GLN HG2 H 1 2.426 0.02 . 2 . . . . 19 GLN HG2 . 7322 1 217 . 1 1 19 19 GLN HG3 H 1 2.383 0.02 . 2 . . . . 19 GLN HG3 . 7322 1 218 . 1 1 19 19 GLN HE21 H 1 7.603 0.02 . 2 . . . . 19 GLN HE21 . 7322 1 219 . 1 1 19 19 GLN HE22 H 1 6.825 0.02 . 2 . . . . 19 GLN HE22 . 7322 1 220 . 1 1 19 19 GLN C C 13 176.710 0.05 . 1 . . . . 19 GLN C . 7322 1 221 . 1 1 19 19 GLN CA C 13 59.413 0.05 . 1 . . . . 19 GLN CA . 7322 1 222 . 1 1 19 19 GLN CB C 13 29.211 0.05 . 1 . . . . 19 GLN CB . 7322 1 223 . 1 1 19 19 GLN CG C 13 33.573 0.05 . 1 . . . . 19 GLN CG . 7322 1 224 . 1 1 19 19 GLN N N 15 123.200 0.05 . 1 . . . . 19 GLN N . 7322 1 225 . 1 1 19 19 GLN NE2 N 15 111.800 0.05 . 1 . . . . 19 GLN NE2 . 7322 1 226 . 1 1 20 20 ASP H H 1 8.327 0.02 . 1 . . . . 20 ASP H . 7322 1 227 . 1 1 20 20 ASP HA H 1 4.968 0.02 . 1 . . . . 20 ASP HA . 7322 1 228 . 1 1 20 20 ASP HB2 H 1 2.567 0.02 . 1 . . . . 20 ASP HB2 . 7322 1 229 . 1 1 20 20 ASP HB3 H 1 2.567 0.02 . 1 . . . . 20 ASP HB3 . 7322 1 230 . 1 1 20 20 ASP C C 13 173.980 0.05 . 1 . . . . 20 ASP C . 7322 1 231 . 1 1 20 20 ASP CA C 13 52.87 0.05 . 1 . . . . 20 ASP CA . 7322 1 232 . 1 1 20 20 ASP CB C 13 39.7 0.05 . 1 . . . . 20 ASP CB . 7322 1 233 . 1 1 20 20 ASP N N 15 118.600 0.05 . 1 . . . . 20 ASP N . 7322 1 234 . 1 1 21 21 PRO HA H 1 3.993 0.02 . 1 . . . . 21 PRO HA . 7322 1 235 . 1 1 21 21 PRO HB2 H 1 1.872 0.02 . 2 . . . . 21 PRO HB2 . 7322 1 236 . 1 1 21 21 PRO HB3 H 1 2.175 0.02 . 2 . . . . 21 PRO HB3 . 7322 1 237 . 1 1 21 21 PRO HG2 H 1 1.997 0.02 . 1 . . . . 21 PRO HG2 . 7322 1 238 . 1 1 21 21 PRO HG3 H 1 1.997 0.02 . 1 . . . . 21 PRO HG3 . 7322 1 239 . 1 1 21 21 PRO HD2 H 1 3.650 0.02 . 2 . . . . 21 PRO HD2 . 7322 1 240 . 1 1 21 21 PRO HD3 H 1 3.980 0.02 . 2 . . . . 21 PRO HD3 . 7322 1 241 . 1 1 21 21 PRO C C 13 175.54 0.05 . 1 . . . . 21 PRO C . 7322 1 242 . 1 1 21 21 PRO CA C 13 64.510 0.05 . 1 . . . . 21 PRO CA . 7322 1 243 . 1 1 21 21 PRO CB C 13 31.800 0.05 . 1 . . . . 21 PRO CB . 7322 1 244 . 1 1 21 21 PRO CG C 13 27.910 0.05 . 1 . . . . 21 PRO CG . 7322 1 245 . 1 1 21 21 PRO CD C 13 50.400 0.05 . 1 . . . . 21 PRO CD . 7322 1 246 . 1 1 22 22 ASP H H 1 7.463 0.02 . 1 . . . . 22 ASP H . 7322 1 247 . 1 1 22 22 ASP HA H 1 4.428 0.02 . 1 . . . . 22 ASP HA . 7322 1 248 . 1 1 22 22 ASP HB2 H 1 2.950 0.02 . 1 . . . . 22 ASP HB2 . 7322 1 249 . 1 1 22 22 ASP HB3 H 1 2.950 0.02 . 1 . . . . 22 ASP HB3 . 7322 1 250 . 1 1 22 22 ASP C C 13 175.930 0.05 . 1 . . . . 22 ASP C . 7322 1 251 . 1 1 22 22 ASP CA C 13 58.600 0.05 . 1 . . . . 22 ASP CA . 7322 1 252 . 1 1 22 22 ASP CB C 13 38.273 0.05 . 1 . . . . 22 ASP CB . 7322 1 253 . 1 1 22 22 ASP N N 15 114.999 0.05 . 1 . . . . 22 ASP N . 7322 1 254 . 1 1 23 23 THR H H 1 7.315 0.02 . 1 . . . . 23 THR H . 7322 1 255 . 1 1 23 23 THR HA H 1 4.580 0.02 . 1 . . . . 23 THR HA . 7322 1 256 . 1 1 23 23 THR HB H 1 4.446 0.02 . 1 . . . . 23 THR HB . 7322 1 257 . 1 1 23 23 THR HG21 H 1 1.130 0.02 . 1 . . . . 23 THR HG2 . 7322 1 258 . 1 1 23 23 THR HG22 H 1 1.130 0.02 . 1 . . . . 23 THR HG2 . 7322 1 259 . 1 1 23 23 THR HG23 H 1 1.130 0.02 . 1 . . . . 23 THR HG2 . 7322 1 260 . 1 1 23 23 THR C C 13 176.710 0.05 . 1 . . . . 23 THR C . 7322 1 261 . 1 1 23 23 THR CA C 13 62.560 0.05 . 1 . . . . 23 THR CA . 7322 1 262 . 1 1 23 23 THR CB C 13 70.860 0.05 . 1 . . . . 23 THR CB . 7322 1 263 . 1 1 23 23 THR CG2 C 13 21.5 0.05 . 1 . . . . 23 THR CG2 . 7322 1 264 . 1 1 23 23 THR N N 15 104.300 0.05 . 1 . . . . 23 THR N . 7322 1 265 . 1 1 24 24 PHE H H 1 9.193 0.02 . 1 . . . . 24 PHE H . 7322 1 266 . 1 1 24 24 PHE HA H 1 4.458 0.02 . 1 . . . . 24 PHE HA . 7322 1 267 . 1 1 24 24 PHE HB2 H 1 2.824 0.02 . 2 . . . . 24 PHE HB2 . 7322 1 268 . 1 1 24 24 PHE HB3 H 1 2.930 0.02 . 2 . . . . 24 PHE HB3 . 7322 1 269 . 1 1 24 24 PHE HD1 H 1 7.220 0.02 . 1 . . . . 24 PHE HD1 . 7322 1 270 . 1 1 24 24 PHE HD2 H 1 7.220 0.02 . 1 . . . . 24 PHE HD2 . 7322 1 271 . 1 1 24 24 PHE HE1 H 1 6.755 0.02 . 1 . . . . 24 PHE HE1 . 7322 1 272 . 1 1 24 24 PHE HE2 H 1 6.755 0.02 . 1 . . . . 24 PHE HE2 . 7322 1 273 . 1 1 24 24 PHE C C 13 173.980 0.05 . 1 . . . . 24 PHE C . 7322 1 274 . 1 1 24 24 PHE CA C 13 59.100 0.05 . 1 . . . . 24 PHE CA . 7322 1 275 . 1 1 24 24 PHE CB C 13 39.300 0.05 . 1 . . . . 24 PHE CB . 7322 1 276 . 1 1 24 24 PHE CD1 C 13 131.7 0.05 . 1 . . . . 24 PHE CD1 . 7322 1 277 . 1 1 24 24 PHE CD2 C 13 131.7 0.05 . 1 . . . . 24 PHE CD2 . 7322 1 278 . 1 1 24 24 PHE N N 15 124.800 0.05 . 1 . . . . 24 PHE N . 7322 1 279 . 1 1 25 25 GLU H H 1 7.998 0.02 . 1 . . . . 25 GLU H . 7322 1 280 . 1 1 25 25 GLU HA H 1 4.465 0.02 . 1 . . . . 25 GLU HA . 7322 1 281 . 1 1 25 25 GLU HB2 H 1 1.908 0.02 . 2 . . . . 25 GLU HB2 . 7322 1 282 . 1 1 25 25 GLU HB3 H 1 1.62 0.02 . 2 . . . . 25 GLU HB3 . 7322 1 283 . 1 1 25 25 GLU HG2 H 1 2.087 0.02 . 1 . . . . 25 GLU HG2 . 7322 1 284 . 1 1 25 25 GLU HG3 H 1 2.087 0.02 . 1 . . . . 25 GLU HG3 . 7322 1 285 . 1 1 25 25 GLU C C 13 173.59 0.05 . 1 . . . . 25 GLU C . 7322 1 286 . 1 1 25 25 GLU CA C 13 52.426 0.05 . 1 . . . . 25 GLU CA . 7322 1 287 . 1 1 25 25 GLU CB C 13 32.288 0.05 . 1 . . . . 25 GLU CB . 7322 1 288 . 1 1 25 25 GLU CG C 13 35.900 0.05 . 1 . . . . 25 GLU CG . 7322 1 289 . 1 1 25 25 GLU N N 15 129.700 0.05 . 1 . . . . 25 GLU N . 7322 1 290 . 1 1 26 26 PRO HA H 1 2.877 0.02 . 1 . . . . 26 PRO HA . 7322 1 291 . 1 1 26 26 PRO HB2 H 1 1.755 0.02 . 1 . . . . 26 PRO HB2 . 7322 1 292 . 1 1 26 26 PRO HB3 H 1 1.755 0.02 . 1 . . . . 26 PRO HB3 . 7322 1 293 . 1 1 26 26 PRO HG2 H 1 1.602 0.02 . 2 . . . . 26 PRO HG2 . 7322 1 294 . 1 1 26 26 PRO HG3 H 1 1.932 0.02 . 2 . . . . 26 PRO HG3 . 7322 1 295 . 1 1 26 26 PRO HD2 H 1 3.732 0.02 . 2 . . . . 26 PRO HD2 . 7322 1 296 . 1 1 26 26 PRO HD3 H 1 3.304 0.02 . 2 . . . . 26 PRO HD3 . 7322 1 297 . 1 1 26 26 PRO C C 13 175.150 0.05 . 1 . . . . 26 PRO C . 7322 1 298 . 1 1 26 26 PRO CA C 13 65.960 0.05 . 1 . . . . 26 PRO CA . 7322 1 299 . 1 1 26 26 PRO CB C 13 31.687 0.05 . 1 . . . . 26 PRO CB . 7322 1 300 . 1 1 26 26 PRO CG C 13 26.987 0.05 . 1 . . . . 26 PRO CG . 7322 1 301 . 1 1 26 26 PRO CD C 13 50.358 0.05 . 1 . . . . 26 PRO CD . 7322 1 302 . 1 1 27 27 GLN H H 1 8.399 0.02 . 1 . . . . 27 GLN H . 7322 1 303 . 1 1 27 27 GLN HA H 1 3.801 0.02 . 1 . . . . 27 GLN HA . 7322 1 304 . 1 1 27 27 GLN HB2 H 1 1.993 0.02 . 1 . . . . 27 GLN HB2 . 7322 1 305 . 1 1 27 27 GLN HB3 H 1 1.993 0.02 . 1 . . . . 27 GLN HB3 . 7322 1 306 . 1 1 27 27 GLN HG2 H 1 2.367 0.02 . 2 . . . . 27 GLN HG2 . 7322 1 307 . 1 1 27 27 GLN HG3 H 1 2.436 0.02 . 2 . . . . 27 GLN HG3 . 7322 1 308 . 1 1 27 27 GLN HE21 H 1 7.800 0.02 . 2 . . . . 27 GLN HE21 . 7322 1 309 . 1 1 27 27 GLN HE22 H 1 6.927 0.02 . 2 . . . . 27 GLN HE22 . 7322 1 310 . 1 1 27 27 GLN C C 13 178.670 0.05 . 1 . . . . 27 GLN C . 7322 1 311 . 1 1 27 27 GLN CA C 13 59.735 0.05 . 1 . . . . 27 GLN CA . 7322 1 312 . 1 1 27 27 GLN CB C 13 27.720 0.05 . 1 . . . . 27 GLN CB . 7322 1 313 . 1 1 27 27 GLN CG C 13 34.215 0.05 . 1 . . . . 27 GLN CG . 7322 1 314 . 1 1 27 27 GLN N N 15 112.979 0.05 . 1 . . . . 27 GLN N . 7322 1 315 . 1 1 27 27 GLN NE2 N 15 112.800 0.05 . 1 . . . . 27 GLN NE2 . 7322 1 316 . 1 1 28 28 LYS H H 1 6.838 0.02 . 1 . . . . 28 LYS H . 7322 1 317 . 1 1 28 28 LYS HA H 1 3.951 0.02 . 1 . . . . 28 LYS HA . 7322 1 318 . 1 1 28 28 LYS HB2 H 1 1.810 0.02 . 2 . . . . 28 LYS HB2 . 7322 1 319 . 1 1 28 28 LYS HB3 H 1 1.730 0.02 . 2 . . . . 28 LYS HB3 . 7322 1 320 . 1 1 28 28 LYS HG2 H 1 1.371 0.02 . 1 . . . . 28 LYS HG2 . 7322 1 321 . 1 1 28 28 LYS HG3 H 1 1.371 0.02 . 1 . . . . 28 LYS HG3 . 7322 1 322 . 1 1 28 28 LYS HD2 H 1 1.571 0.02 . 1 . . . . 28 LYS HD2 . 7322 1 323 . 1 1 28 28 LYS HD3 H 1 1.571 0.02 . 1 . . . . 28 LYS HD3 . 7322 1 324 . 1 1 28 28 LYS HE2 H 1 2.855 0.02 . 1 . . . . 28 LYS HE2 . 7322 1 325 . 1 1 28 28 LYS HE3 H 1 2.855 0.02 . 1 . . . . 28 LYS HE3 . 7322 1 326 . 1 1 28 28 LYS C C 13 177.490 0.05 . 1 . . . . 28 LYS C . 7322 1 327 . 1 1 28 28 LYS CA C 13 59.083 0.05 . 1 . . . . 28 LYS CA . 7322 1 328 . 1 1 28 28 LYS CB C 13 32.428 0.05 . 1 . . . . 28 LYS CB . 7322 1 329 . 1 1 28 28 LYS CG C 13 24.444 0.05 . 1 . . . . 28 LYS CG . 7322 1 330 . 1 1 28 28 LYS CD C 13 29.300 0.05 . 1 . . . . 28 LYS CD . 7322 1 331 . 1 1 28 28 LYS CE C 13 42.139 0.05 . 1 . . . . 28 LYS CE . 7322 1 332 . 1 1 28 28 LYS N N 15 118.900 0.05 . 1 . . . . 28 LYS N . 7322 1 333 . 1 1 29 29 PHE H H 1 7.744 0.02 . 1 . . . . 29 PHE H . 7322 1 334 . 1 1 29 29 PHE HA H 1 4.311 0.02 . 1 . . . . 29 PHE HA . 7322 1 335 . 1 1 29 29 PHE HB2 H 1 2.460 0.02 . 2 . . . . 29 PHE HB2 . 7322 1 336 . 1 1 29 29 PHE HB3 H 1 2.740 0.02 . 2 . . . . 29 PHE HB3 . 7322 1 337 . 1 1 29 29 PHE HD1 H 1 7.156 0.02 . 1 . . . . 29 PHE HD1 . 7322 1 338 . 1 1 29 29 PHE HD2 H 1 7.156 0.02 . 1 . . . . 29 PHE HD2 . 7322 1 339 . 1 1 29 29 PHE HE1 H 1 6.605 0.02 . 1 . . . . 29 PHE HE1 . 7322 1 340 . 1 1 29 29 PHE HE2 H 1 6.605 0.02 . 1 . . . . 29 PHE HE2 . 7322 1 341 . 1 1 29 29 PHE C C 13 180.620 0.05 . 1 . . . . 29 PHE C . 7322 1 342 . 1 1 29 29 PHE CA C 13 61.716 0.05 . 1 . . . . 29 PHE CA . 7322 1 343 . 1 1 29 29 PHE CB C 13 40.047 0.05 . 1 . . . . 29 PHE CB . 7322 1 344 . 1 1 29 29 PHE CE1 C 13 131.200 0.05 . 1 . . . . 29 PHE CE1 . 7322 1 345 . 1 1 29 29 PHE CE2 C 13 131.200 0.05 . 1 . . . . 29 PHE CE2 . 7322 1 346 . 1 1 29 29 PHE N N 15 119.200 0.05 . 1 . . . . 29 PHE N . 7322 1 347 . 1 1 30 30 PHE H H 1 8.991 0.02 . 1 . . . . 30 PHE H . 7322 1 348 . 1 1 30 30 PHE HA H 1 4.370 0.02 . 1 . . . . 30 PHE HA . 7322 1 349 . 1 1 30 30 PHE HB2 H 1 3.241 0.02 . 1 . . . . 30 PHE HB2 . 7322 1 350 . 1 1 30 30 PHE HB3 H 1 3.241 0.02 . 1 . . . . 30 PHE HB3 . 7322 1 351 . 1 1 30 30 PHE HD1 H 1 7.259 0.02 . 1 . . . . 30 PHE HD1 . 7322 1 352 . 1 1 30 30 PHE HD2 H 1 7.259 0.02 . 1 . . . . 30 PHE HD2 . 7322 1 353 . 1 1 30 30 PHE HE1 H 1 7.158 0.02 . 1 . . . . 30 PHE HE1 . 7322 1 354 . 1 1 30 30 PHE HE2 H 1 7.158 0.02 . 1 . . . . 30 PHE HE2 . 7322 1 355 . 1 1 30 30 PHE C C 13 177.100 0.05 . 1 . . . . 30 PHE C . 7322 1 356 . 1 1 30 30 PHE CA C 13 58.423 0.05 . 1 . . . . 30 PHE CA . 7322 1 357 . 1 1 30 30 PHE CB C 13 36.555 0.05 . 1 . . . . 30 PHE CB . 7322 1 358 . 1 1 30 30 PHE CD1 C 13 131.600 0.05 . 1 . . . . 30 PHE CD1 . 7322 1 359 . 1 1 30 30 PHE CD2 C 13 131.600 0.05 . 1 . . . . 30 PHE CD2 . 7322 1 360 . 1 1 30 30 PHE CE1 C 13 130.600 0.05 . 1 . . . . 30 PHE CE1 . 7322 1 361 . 1 1 30 30 PHE CE2 C 13 130.600 0.05 . 1 . . . . 30 PHE CE2 . 7322 1 362 . 1 1 30 30 PHE N N 15 120.000 0.05 . 1 . . . . 30 PHE N . 7322 1 363 . 1 1 31 31 GLN H H 1 7.852 0.02 . 1 . . . . 31 GLN H . 7322 1 364 . 1 1 31 31 GLN HA H 1 4.347 0.02 . 1 . . . . 31 GLN HA . 7322 1 365 . 1 1 31 31 GLN HB2 H 1 2.167 0.02 . 2 . . . . 31 GLN HB2 . 7322 1 366 . 1 1 31 31 GLN HB3 H 1 2.229 0.02 . 2 . . . . 31 GLN HB3 . 7322 1 367 . 1 1 31 31 GLN HG2 H 1 2.384 0.02 . 2 . . . . 31 GLN HG2 . 7322 1 368 . 1 1 31 31 GLN HG3 H 1 2.450 0.02 . 2 . . . . 31 GLN HG3 . 7322 1 369 . 1 1 31 31 GLN HE21 H 1 7.567 0.02 . 2 . . . . 31 GLN HE21 . 7322 1 370 . 1 1 31 31 GLN HE22 H 1 6.802 0.02 . 2 . . . . 31 GLN HE22 . 7322 1 371 . 1 1 31 31 GLN C C 13 179.450 0.05 . 1 . . . . 31 GLN C . 7322 1 372 . 1 1 31 31 GLN CA C 13 58.265 0.05 . 1 . . . . 31 GLN CA . 7322 1 373 . 1 1 31 31 GLN CB C 13 28.480 0.05 . 1 . . . . 31 GLN CB . 7322 1 374 . 1 1 31 31 GLN CG C 13 33.340 0.05 . 1 . . . . 31 GLN CG . 7322 1 375 . 1 1 31 31 GLN N N 15 119.100 0.05 . 1 . . . . 31 GLN N . 7322 1 376 . 1 1 31 31 GLN NE2 N 15 111.958 0.05 . 1 . . . . 31 GLN NE2 . 7322 1 377 . 1 1 32 32 THR H H 1 9.341 0.02 . 1 . . . . 32 THR H . 7322 1 378 . 1 1 32 32 THR HA H 1 3.684 0.02 . 1 . . . . 32 THR HA . 7322 1 379 . 1 1 32 32 THR HB H 1 3.730 0.02 . 1 . . . . 32 THR HB . 7322 1 380 . 1 1 32 32 THR HG21 H 1 0.955 0.02 . 1 . . . . 32 THR HG2 . 7322 1 381 . 1 1 32 32 THR HG22 H 1 0.955 0.02 . 1 . . . . 32 THR HG2 . 7322 1 382 . 1 1 32 32 THR HG23 H 1 0.955 0.02 . 1 . . . . 32 THR HG2 . 7322 1 383 . 1 1 32 32 THR C C 13 175.930 0.05 . 1 . . . . 32 THR C . 7322 1 384 . 1 1 32 32 THR CA C 13 66.304 0.05 . 1 . . . . 32 THR CA . 7322 1 385 . 1 1 32 32 THR CB C 13 67.846 0.05 . 1 . . . . 32 THR CB . 7322 1 386 . 1 1 32 32 THR CG2 C 13 22.38 0.05 . 1 . . . . 32 THR CG2 . 7322 1 387 . 1 1 32 32 THR N N 15 120.300 0.05 . 1 . . . . 32 THR N . 7322 1 388 . 1 1 33 33 SER H H 1 7.949 0.02 . 1 . . . . 33 SER H . 7322 1 389 . 1 1 33 33 SER HA H 1 3.398 0.02 . 1 . . . . 33 SER HA . 7322 1 390 . 1 1 33 33 SER HB2 H 1 2.696 0.02 . 2 . . . . 33 SER HB2 . 7322 1 391 . 1 1 33 33 SER HB3 H 1 3.397 0.02 . 2 . . . . 33 SER HB3 . 7322 1 392 . 1 1 33 33 SER C C 13 173.200 0.05 . 1 . . . . 33 SER C . 7322 1 393 . 1 1 33 33 SER CA C 13 61.090 0.05 . 1 . . . . 33 SER CA . 7322 1 394 . 1 1 33 33 SER CB C 13 63.594 0.05 . 1 . . . . 33 SER CB . 7322 1 395 . 1 1 33 33 SER N N 15 110.400 0.05 . 1 . . . . 33 SER N . 7322 1 396 . 1 1 34 34 GLY H H 1 7.066 0.02 . 1 . . . . 34 GLY H . 7322 1 397 . 1 1 34 34 GLY HA2 H 1 3.840 0.02 . 2 . . . . 34 GLY HA2 . 7322 1 398 . 1 1 34 34 GLY HA3 H 1 4.408 0.02 . 2 . . . . 34 GLY HA3 . 7322 1 399 . 1 1 34 34 GLY C C 13 175.000 0.05 . 1 . . . . 34 GLY C . 7322 1 400 . 1 1 34 34 GLY CA C 13 45.132 0.05 . 1 . . . . 34 GLY CA . 7322 1 401 . 1 1 34 34 GLY N N 15 106.500 0.05 . 1 . . . . 34 GLY N . 7322 1 402 . 1 1 35 35 LEU H H 1 7.945 0.02 . 1 . . . . 35 LEU H . 7322 1 403 . 1 1 35 35 LEU HA H 1 3.908 0.02 . 1 . . . . 35 LEU HA . 7322 1 404 . 1 1 35 35 LEU HB2 H 1 1.294 0.02 . 2 . . . . 35 LEU HB2 . 7322 1 405 . 1 1 35 35 LEU HB3 H 1 2.012 0.02 . 2 . . . . 35 LEU HB3 . 7322 1 406 . 1 1 35 35 LEU HG H 1 1.858 0.02 . 1 . . . . 35 LEU HG . 7322 1 407 . 1 1 35 35 LEU HD11 H 1 1.160 0.02 . 2 . . . . 35 LEU HD1 . 7322 1 408 . 1 1 35 35 LEU HD12 H 1 1.160 0.02 . 2 . . . . 35 LEU HD1 . 7322 1 409 . 1 1 35 35 LEU HD13 H 1 1.160 0.02 . 2 . . . . 35 LEU HD1 . 7322 1 410 . 1 1 35 35 LEU HD21 H 1 1.308 0.02 . 2 . . . . 35 LEU HD2 . 7322 1 411 . 1 1 35 35 LEU HD22 H 1 1.308 0.02 . 2 . . . . 35 LEU HD2 . 7322 1 412 . 1 1 35 35 LEU HD23 H 1 1.308 0.02 . 2 . . . . 35 LEU HD2 . 7322 1 413 . 1 1 35 35 LEU C C 13 178.280 0.05 . 1 . . . . 35 LEU C . 7322 1 414 . 1 1 35 35 LEU CA C 13 58.831 0.05 . 1 . . . . 35 LEU CA . 7322 1 415 . 1 1 35 35 LEU CB C 13 42.751 0.05 . 1 . . . . 35 LEU CB . 7322 1 416 . 1 1 35 35 LEU CG C 13 28.900 0.05 . 1 . . . . 35 LEU CG . 7322 1 417 . 1 1 35 35 LEU CD1 C 13 26.300 0.05 . 1 . . . . 35 LEU CD1 . 7322 1 418 . 1 1 35 35 LEU CD2 C 13 26.300 0.05 . 1 . . . . 35 LEU CD2 . 7322 1 419 . 1 1 35 35 LEU N N 15 124.000 0.05 . 1 . . . . 35 LEU N . 7322 1 420 . 1 1 36 36 SER H H 1 8.006 0.02 . 1 . . . . 36 SER H . 7322 1 421 . 1 1 36 36 SER HA H 1 3.976 0.02 . 1 . . . . 36 SER HA . 7322 1 422 . 1 1 36 36 SER HB2 H 1 4.046 0.02 . 2 . . . . 36 SER HB2 . 7322 1 423 . 1 1 36 36 SER HB3 H 1 3.679 0.02 . 2 . . . . 36 SER HB3 . 7322 1 424 . 1 1 36 36 SER C C 13 174.760 0.05 . 1 . . . . 36 SER C . 7322 1 425 . 1 1 36 36 SER CA C 13 60.749 0.05 . 1 . . . . 36 SER CA . 7322 1 426 . 1 1 36 36 SER CB C 13 63.447 0.05 . 1 . . . . 36 SER CB . 7322 1 427 . 1 1 36 36 SER N N 15 109.500 0.05 . 1 . . . . 36 SER N . 7322 1 428 . 1 1 37 37 LYS H H 1 7.223 0.02 . 1 . . . . 37 LYS H . 7322 1 429 . 1 1 37 37 LYS HA H 1 4.50 0.02 . 1 . . . . 37 LYS HA . 7322 1 430 . 1 1 37 37 LYS HB2 H 1 1.797 0.02 . 2 . . . . 37 LYS HB2 . 7322 1 431 . 1 1 37 37 LYS HB3 H 1 1.938 0.02 . 2 . . . . 37 LYS HB3 . 7322 1 432 . 1 1 37 37 LYS HG2 H 1 1.432 0.02 . 1 . . . . 37 LYS HG2 . 7322 1 433 . 1 1 37 37 LYS HG3 H 1 1.432 0.02 . 1 . . . . 37 LYS HG3 . 7322 1 434 . 1 1 37 37 LYS HD2 H 1 1.636 0.02 . 2 . . . . 37 LYS HD2 . 7322 1 435 . 1 1 37 37 LYS HD3 H 1 1.693 0.02 . 2 . . . . 37 LYS HD3 . 7322 1 436 . 1 1 37 37 LYS HE2 H 1 2.983 0.02 . 1 . . . . 37 LYS HE2 . 7322 1 437 . 1 1 37 37 LYS HE3 H 1 2.983 0.02 . 1 . . . . 37 LYS HE3 . 7322 1 438 . 1 1 37 37 LYS C C 13 177.100 0.05 . 1 . . . . 37 LYS C . 7322 1 439 . 1 1 37 37 LYS CA C 13 55.668 0.05 . 1 . . . . 37 LYS CA . 7322 1 440 . 1 1 37 37 LYS CB C 13 33.042 0.05 . 1 . . . . 37 LYS CB . 7322 1 441 . 1 1 37 37 LYS CG C 13 24.819 0.05 . 1 . . . . 37 LYS CG . 7322 1 442 . 1 1 37 37 LYS CD C 13 29.503 0.05 . 1 . . . . 37 LYS CD . 7322 1 443 . 1 1 37 37 LYS CE C 13 42.300 0.05 . 1 . . . . 37 LYS CE . 7322 1 444 . 1 1 37 37 LYS N N 15 118.695 0.05 . 1 . . . . 37 LYS N . 7322 1 445 . 1 1 38 38 MET H H 1 7.263 0.02 . 1 . . . . 38 MET H . 7322 1 446 . 1 1 38 38 MET HA H 1 4.614 0.02 . 1 . . . . 38 MET HA . 7322 1 447 . 1 1 38 38 MET HB2 H 1 2.074 0.02 . 2 . . . . 38 MET HB2 . 7322 1 448 . 1 1 38 38 MET HB3 H 1 2.225 0.02 . 2 . . . . 38 MET HB3 . 7322 1 449 . 1 1 38 38 MET HG2 H 1 2.573 0.02 . 2 . . . . 38 MET HG2 . 7322 1 450 . 1 1 38 38 MET HG3 H 1 2.806 0.02 . 2 . . . . 38 MET HG3 . 7322 1 451 . 1 1 38 38 MET HE1 H 1 2.054 0.02 . 1 . . . . 38 MET HE . 7322 1 452 . 1 1 38 38 MET HE2 H 1 2.054 0.02 . 1 . . . . 38 MET HE . 7322 1 453 . 1 1 38 38 MET HE3 H 1 2.054 0.02 . 1 . . . . 38 MET HE . 7322 1 454 . 1 1 38 38 MET C C 13 176.710 0.05 . 1 . . . . 38 MET C . 7322 1 455 . 1 1 38 38 MET CA C 13 54.753 0.05 . 1 . . . . 38 MET CA . 7322 1 456 . 1 1 38 38 MET CB C 13 34.911 0.05 . 1 . . . . 38 MET CB . 7322 1 457 . 1 1 38 38 MET CG C 13 33.300 0.05 . 1 . . . . 38 MET CG . 7322 1 458 . 1 1 38 38 MET CE C 13 19.470 0.05 . 1 . . . . 38 MET CE . 7322 1 459 . 1 1 38 38 MET N N 15 119.397 0.05 . 1 . . . . 38 MET N . 7322 1 460 . 1 1 39 39 SER H H 1 9.311 0.02 . 1 . . . . 39 SER H . 7322 1 461 . 1 1 39 39 SER HA H 1 4.484 0.02 . 1 . . . . 39 SER HA . 7322 1 462 . 1 1 39 39 SER HB2 H 1 4.036 0.02 . 2 . . . . 39 SER HB2 . 7322 1 463 . 1 1 39 39 SER HB3 H 1 4.349 0.02 . 2 . . . . 39 SER HB3 . 7322 1 464 . 1 1 39 39 SER C C 13 174.370 0.05 . 1 . . . . 39 SER C . 7322 1 465 . 1 1 39 39 SER CA C 13 57.403 0.05 . 1 . . . . 39 SER CA . 7322 1 466 . 1 1 39 39 SER CB C 13 65.138 0.05 . 1 . . . . 39 SER CB . 7322 1 467 . 1 1 39 39 SER N N 15 119.197 0.05 . 1 . . . . 39 SER N . 7322 1 468 . 1 1 40 40 ALA H H 1 8.958 0.02 . 1 . . . . 40 ALA H . 7322 1 469 . 1 1 40 40 ALA HA H 1 4.098 0.02 . 1 . . . . 40 ALA HA . 7322 1 470 . 1 1 40 40 ALA HB1 H 1 1.397 0.02 . 1 . . . . 40 ALA HB . 7322 1 471 . 1 1 40 40 ALA HB2 H 1 1.397 0.02 . 1 . . . . 40 ALA HB . 7322 1 472 . 1 1 40 40 ALA HB3 H 1 1.397 0.02 . 1 . . . . 40 ALA HB . 7322 1 473 . 1 1 40 40 ALA C C 13 180.230 0.05 . 1 . . . . 40 ALA C . 7322 1 474 . 1 1 40 40 ALA CA C 13 55.877 0.05 . 1 . . . . 40 ALA CA . 7322 1 475 . 1 1 40 40 ALA CB C 13 17.999 0.05 . 1 . . . . 40 ALA CB . 7322 1 476 . 1 1 40 40 ALA N N 15 123.400 0.05 . 1 . . . . 40 ALA N . 7322 1 477 . 1 1 41 41 SER H H 1 8.425 0.02 . 1 . . . . 41 SER H . 7322 1 478 . 1 1 41 41 SER HA H 1 4.059 0.02 . 1 . . . . 41 SER HA . 7322 1 479 . 1 1 41 41 SER HB2 H 1 3.860 0.02 . 1 . . . . 41 SER HB2 . 7322 1 480 . 1 1 41 41 SER HB3 H 1 3.860 0.02 . 1 . . . . 41 SER HB3 . 7322 1 481 . 1 1 41 41 SER C C 13 177.100 0.05 . 1 . . . . 41 SER C . 7322 1 482 . 1 1 41 41 SER CA C 13 61.750 0.05 . 1 . . . . 41 SER CA . 7322 1 483 . 1 1 41 41 SER CB C 13 62.542 0.05 . 1 . . . . 41 SER CB . 7322 1 484 . 1 1 41 41 SER N N 15 112.200 0.05 . 1 . . . . 41 SER N . 7322 1 485 . 1 1 42 42 GLN H H 1 7.594 0.02 . 1 . . . . 42 GLN H . 7322 1 486 . 1 1 42 42 GLN HA H 1 4.286 0.02 . 1 . . . . 42 GLN HA . 7322 1 487 . 1 1 42 42 GLN HB2 H 1 2.013 0.02 . 2 . . . . 42 GLN HB2 . 7322 1 488 . 1 1 42 42 GLN HB3 H 1 2.476 0.02 . 2 . . . . 42 GLN HB3 . 7322 1 489 . 1 1 42 42 GLN HG2 H 1 2.456 0.02 . 1 . . . . 42 GLN HG2 . 7322 1 490 . 1 1 42 42 GLN HG3 H 1 2.456 0.02 . 1 . . . . 42 GLN HG3 . 7322 1 491 . 1 1 42 42 GLN HE21 H 1 7.729 0.02 . 2 . . . . 42 GLN HE21 . 7322 1 492 . 1 1 42 42 GLN HE22 H 1 6.952 0.02 . 2 . . . . 42 GLN HE22 . 7322 1 493 . 1 1 42 42 GLN C C 13 179.060 0.05 . 1 . . . . 42 GLN C . 7322 1 494 . 1 1 42 42 GLN CA C 13 59.200 0.05 . 1 . . . . 42 GLN CA . 7322 1 495 . 1 1 42 42 GLN CB C 13 30.005 0.10 . 1 . . . . 42 GLN CB . 7322 1 496 . 1 1 42 42 GLN CG C 13 35.152 0.05 . 1 . . . . 42 GLN CG . 7322 1 497 . 1 1 42 42 GLN N N 15 122.200 0.05 . 1 . . . . 42 GLN N . 7322 1 498 . 1 1 42 42 GLN NE2 N 15 113.200 0.05 . 1 . . . . 42 GLN NE2 . 7322 1 499 . 1 1 43 43 VAL H H 1 8.662 0.02 . 1 . . . . 43 VAL H . 7322 1 500 . 1 1 43 43 VAL HA H 1 3.553 0.02 . 1 . . . . 43 VAL HA . 7322 1 501 . 1 1 43 43 VAL HB H 1 2.193 0.02 . 1 . . . . 43 VAL HB . 7322 1 502 . 1 1 43 43 VAL HG11 H 1 0.923 0.02 . 2 . . . . 43 VAL HG1 . 7322 1 503 . 1 1 43 43 VAL HG12 H 1 0.923 0.02 . 2 . . . . 43 VAL HG1 . 7322 1 504 . 1 1 43 43 VAL HG13 H 1 0.923 0.02 . 2 . . . . 43 VAL HG1 . 7322 1 505 . 1 1 43 43 VAL HG21 H 1 0.947 0.02 . 2 . . . . 43 VAL HG2 . 7322 1 506 . 1 1 43 43 VAL HG22 H 1 0.947 0.02 . 2 . . . . 43 VAL HG2 . 7322 1 507 . 1 1 43 43 VAL HG23 H 1 0.947 0.02 . 2 . . . . 43 VAL HG2 . 7322 1 508 . 1 1 43 43 VAL C C 13 177.880 0.05 . 1 . . . . 43 VAL C . 7322 1 509 . 1 1 43 43 VAL CA C 13 67.601 0.05 . 1 . . . . 43 VAL CA . 7322 1 510 . 1 1 43 43 VAL CB C 13 31.137 0.05 . 1 . . . . 43 VAL CB . 7322 1 511 . 1 1 43 43 VAL CG1 C 13 23.100 0.05 . 1 . . . . 43 VAL CG1 . 7322 1 512 . 1 1 43 43 VAL CG2 C 13 24.970 0.05 . 1 . . . . 43 VAL CG2 . 7322 1 513 . 1 1 43 43 VAL N N 15 119.500 0.05 . 1 . . . . 43 VAL N . 7322 1 514 . 1 1 44 44 LYS H H 1 7.973 0.02 . 1 . . . . 44 LYS H . 7322 1 515 . 1 1 44 44 LYS HA H 1 4.016 0.02 . 1 . . . . 44 LYS HA . 7322 1 516 . 1 1 44 44 LYS HB2 H 1 1.893 0.02 . 1 . . . . 44 LYS HB2 . 7322 1 517 . 1 1 44 44 LYS HB3 H 1 1.893 0.02 . 1 . . . . 44 LYS HB3 . 7322 1 518 . 1 1 44 44 LYS HG2 H 1 1.317 0.02 . 2 . . . . 44 LYS HG2 . 7322 1 519 . 1 1 44 44 LYS HG3 H 1 1.577 0.02 . 2 . . . . 44 LYS HG3 . 7322 1 520 . 1 1 44 44 LYS HD2 H 1 1.608 0.02 . 1 . . . . 44 LYS HD2 . 7322 1 521 . 1 1 44 44 LYS HD3 H 1 1.608 0.02 . 1 . . . . 44 LYS HD3 . 7322 1 522 . 1 1 44 44 LYS HE2 H 1 2.830 0.02 . 1 . . . . 44 LYS HE2 . 7322 1 523 . 1 1 44 44 LYS HE3 H 1 2.830 0.02 . 1 . . . . 44 LYS HE3 . 7322 1 524 . 1 1 44 44 LYS C C 13 179.060 0.05 . 1 . . . . 44 LYS C . 7322 1 525 . 1 1 44 44 LYS CA C 13 60.238 0.05 . 1 . . . . 44 LYS CA . 7322 1 526 . 1 1 44 44 LYS CB C 13 32.000 0.05 . 1 . . . . 44 LYS CB . 7322 1 527 . 1 1 44 44 LYS CG C 13 25.900 0.05 . 1 . . . . 44 LYS CG . 7322 1 528 . 1 1 44 44 LYS CD C 13 29.503 0.05 . 1 . . . . 44 LYS CD . 7322 1 529 . 1 1 44 44 LYS CE C 13 42.230 0.05 . 1 . . . . 44 LYS CE . 7322 1 530 . 1 1 44 44 LYS N N 15 120.000 0.05 . 1 . . . . 44 LYS N . 7322 1 531 . 1 1 45 45 ASP H H 1 7.711 0.02 . 1 . . . . 45 ASP H . 7322 1 532 . 1 1 45 45 ASP HA H 1 4.368 0.02 . 1 . . . . 45 ASP HA . 7322 1 533 . 1 1 45 45 ASP HB2 H 1 2.519 0.02 . 2 . . . . 45 ASP HB2 . 7322 1 534 . 1 1 45 45 ASP HB3 H 1 2.951 0.02 . 2 . . . . 45 ASP HB3 . 7322 1 535 . 1 1 45 45 ASP C C 13 178.670 0.05 . 1 . . . . 45 ASP C . 7322 1 536 . 1 1 45 45 ASP CA C 13 57.380 0.05 . 1 . . . . 45 ASP CA . 7322 1 537 . 1 1 45 45 ASP CB C 13 40.550 0.05 . 1 . . . . 45 ASP CB . 7322 1 538 . 1 1 45 45 ASP N N 15 120.300 0.05 . 1 . . . . 45 ASP N . 7322 1 539 . 1 1 46 46 ILE H H 1 8.284 0.02 . 1 . . . . 46 ILE H . 7322 1 540 . 1 1 46 46 ILE HA H 1 3.774 0.02 . 1 . . . . 46 ILE HA . 7322 1 541 . 1 1 46 46 ILE HB H 1 2.347 0.02 . 1 . . . . 46 ILE HB . 7322 1 542 . 1 1 46 46 ILE HG12 H 1 2.017 0.02 . 2 . . . . 46 ILE HG12 . 7322 1 543 . 1 1 46 46 ILE HG13 H 1 1.259 0.02 . 2 . . . . 46 ILE HG13 . 7322 1 544 . 1 1 46 46 ILE HG21 H 1 1.075 0.02 . 1 . . . . 46 ILE HG2 . 7322 1 545 . 1 1 46 46 ILE HG22 H 1 1.075 0.02 . 1 . . . . 46 ILE HG2 . 7322 1 546 . 1 1 46 46 ILE HG23 H 1 1.075 0.02 . 1 . . . . 46 ILE HG2 . 7322 1 547 . 1 1 46 46 ILE HD11 H 1 0.965 0.02 . 1 . . . . 46 ILE HD1 . 7322 1 548 . 1 1 46 46 ILE HD12 H 1 0.965 0.02 . 1 . . . . 46 ILE HD1 . 7322 1 549 . 1 1 46 46 ILE HD13 H 1 0.965 0.02 . 1 . . . . 46 ILE HD1 . 7322 1 550 . 1 1 46 46 ILE C C 13 177.490 0.05 . 1 . . . . 46 ILE C . 7322 1 551 . 1 1 46 46 ILE CA C 13 64.947 0.05 . 1 . . . . 46 ILE CA . 7322 1 552 . 1 1 46 46 ILE CB C 13 37.438 0.05 . 1 . . . . 46 ILE CB . 7322 1 553 . 1 1 46 46 ILE CG1 C 13 30.300 0.05 . 1 . . . . 46 ILE CG1 . 7322 1 554 . 1 1 46 46 ILE CG2 C 13 17.050 0.05 . 1 . . . . 46 ILE CG2 . 7322 1 555 . 1 1 46 46 ILE CD1 C 13 14.000 0.05 . 1 . . . . 46 ILE CD1 . 7322 1 556 . 1 1 46 46 ILE N N 15 120.300 0.05 . 1 . . . . 46 ILE N . 7322 1 557 . 1 1 47 47 PHE H H 1 8.772 0.02 . 1 . . . . 47 PHE H . 7322 1 558 . 1 1 47 47 PHE HA H 1 3.427 0.02 . 1 . . . . 47 PHE HA . 7322 1 559 . 1 1 47 47 PHE HB2 H 1 2.972 0.02 . 2 . . . . 47 PHE HB2 . 7322 1 560 . 1 1 47 47 PHE HB3 H 1 3.205 0.02 . 2 . . . . 47 PHE HB3 . 7322 1 561 . 1 1 47 47 PHE HD1 H 1 6.538 0.02 . 1 . . . . 47 PHE HD1 . 7322 1 562 . 1 1 47 47 PHE HD2 H 1 6.538 0.02 . 1 . . . . 47 PHE HD2 . 7322 1 563 . 1 1 47 47 PHE HE1 H 1 6.786 0.02 . 1 . . . . 47 PHE HE1 . 7322 1 564 . 1 1 47 47 PHE HE2 H 1 6.786 0.02 . 1 . . . . 47 PHE HE2 . 7322 1 565 . 1 1 47 47 PHE C C 13 176.320 0.05 . 1 . . . . 47 PHE C . 7322 1 566 . 1 1 47 47 PHE CA C 13 62.159 0.05 . 1 . . . . 47 PHE CA . 7322 1 567 . 1 1 47 47 PHE CB C 13 38.480 0.05 . 1 . . . . 47 PHE CB . 7322 1 568 . 1 1 47 47 PHE N N 15 120.600 0.05 . 1 . . . . 47 PHE N . 7322 1 569 . 1 1 48 48 ARG H H 1 7.536 0.02 . 1 . . . . 48 ARG H . 7322 1 570 . 1 1 48 48 ARG HA H 1 3.943 0.02 . 1 . . . . 48 ARG HA . 7322 1 571 . 1 1 48 48 ARG HB2 H 1 1.698 0.02 . 2 . . . . 48 ARG HB2 . 7322 1 572 . 1 1 48 48 ARG HB3 H 1 1.64 0.02 . 2 . . . . 48 ARG HB3 . 7322 1 573 . 1 1 48 48 ARG HG2 H 1 1.538 0.02 . 2 . . . . 48 ARG HG2 . 7322 1 574 . 1 1 48 48 ARG HG3 H 1 1.704 0.02 . 2 . . . . 48 ARG HG3 . 7322 1 575 . 1 1 48 48 ARG HD2 H 1 3.055 0.02 . 1 . . . . 48 ARG HD2 . 7322 1 576 . 1 1 48 48 ARG HD3 H 1 3.055 0.02 . 1 . . . . 48 ARG HD3 . 7322 1 577 . 1 1 48 48 ARG HE H 1 7.140 0.02 . 1 . . . . 48 ARG HE . 7322 1 578 . 1 1 48 48 ARG C C 13 178.280 0.05 . 1 . . . . 48 ARG C . 7322 1 579 . 1 1 48 48 ARG CA C 13 58.794 0.05 . 1 . . . . 48 ARG CA . 7322 1 580 . 1 1 48 48 ARG CB C 13 29.810 0.05 . 1 . . . . 48 ARG CB . 7322 1 581 . 1 1 48 48 ARG CG C 13 28.040 0.05 . 1 . . . . 48 ARG CG . 7322 1 582 . 1 1 48 48 ARG CD C 13 43.371 0.05 . 1 . . . . 48 ARG CD . 7322 1 583 . 1 1 48 48 ARG N N 15 115.800 0.05 . 1 . . . . 48 ARG N . 7322 1 584 . 1 1 48 48 ARG NE N 15 120.900 0.05 . 1 . . . . 48 ARG NE . 7322 1 585 . 1 1 49 49 PHE H H 1 7.461 0.02 . 1 . . . . 49 PHE H . 7322 1 586 . 1 1 49 49 PHE HA H 1 4.349 0.02 . 1 . . . . 49 PHE HA . 7322 1 587 . 1 1 49 49 PHE HB2 H 1 2.889 0.02 . 2 . . . . 49 PHE HB2 . 7322 1 588 . 1 1 49 49 PHE HB3 H 1 3.204 0.02 . 2 . . . . 49 PHE HB3 . 7322 1 589 . 1 1 49 49 PHE HD1 H 1 7.058 0.02 . 1 . . . . 49 PHE HD1 . 7322 1 590 . 1 1 49 49 PHE HD2 H 1 7.058 0.02 . 1 . . . . 49 PHE HD2 . 7322 1 591 . 1 1 49 49 PHE HE1 H 1 6.471 0.02 . 1 . . . . 49 PHE HE1 . 7322 1 592 . 1 1 49 49 PHE HE2 H 1 6.471 0.02 . 1 . . . . 49 PHE HE2 . 7322 1 593 . 1 1 49 49 PHE C C 13 176.710 0.05 . 1 . . . . 49 PHE C . 7322 1 594 . 1 1 49 49 PHE CA C 13 59.840 0.05 . 1 . . . . 49 PHE CA . 7322 1 595 . 1 1 49 49 PHE CB C 13 39.100 0.05 . 1 . . . . 49 PHE CB . 7322 1 596 . 1 1 49 49 PHE N N 15 115.000 0.05 . 1 . . . . 49 PHE N . 7322 1 597 . 1 1 50 50 ILE H H 1 7.384 0.02 . 1 . . . . 50 ILE H . 7322 1 598 . 1 1 50 50 ILE HA H 1 3.587 0.02 . 1 . . . . 50 ILE HA . 7322 1 599 . 1 1 50 50 ILE HB H 1 1.339 0.02 . 1 . . . . 50 ILE HB . 7322 1 600 . 1 1 50 50 ILE HG12 H 1 1.256 0.02 . 2 . . . . 50 ILE HG12 . 7322 1 601 . 1 1 50 50 ILE HG13 H 1 0.572 0.02 . 2 . . . . 50 ILE HG13 . 7322 1 602 . 1 1 50 50 ILE HG21 H 1 0.588 0.02 . 1 . . . . 50 ILE HG2 . 7322 1 603 . 1 1 50 50 ILE HG22 H 1 0.588 0.02 . 1 . . . . 50 ILE HG2 . 7322 1 604 . 1 1 50 50 ILE HG23 H 1 0.588 0.02 . 1 . . . . 50 ILE HG2 . 7322 1 605 . 1 1 50 50 ILE HD11 H 1 0.411 0.02 . 1 . . . . 50 ILE HD1 . 7322 1 606 . 1 1 50 50 ILE HD12 H 1 0.411 0.02 . 1 . . . . 50 ILE HD1 . 7322 1 607 . 1 1 50 50 ILE HD13 H 1 0.411 0.02 . 1 . . . . 50 ILE HD1 . 7322 1 608 . 1 1 50 50 ILE C C 13 175.540 0.05 . 1 . . . . 50 ILE C . 7322 1 609 . 1 1 50 50 ILE CA C 13 62.841 0.05 . 1 . . . . 50 ILE CA . 7322 1 610 . 1 1 50 50 ILE CB C 13 37.712 0.05 . 1 . . . . 50 ILE CB . 7322 1 611 . 1 1 50 50 ILE CG1 C 13 27.700 0.05 . 1 . . . . 50 ILE CG1 . 7322 1 612 . 1 1 50 50 ILE CG2 C 13 18.060 0.05 . 1 . . . . 50 ILE CG2 . 7322 1 613 . 1 1 50 50 ILE CD1 C 13 14.010 0.05 . 1 . . . . 50 ILE CD1 . 7322 1 614 . 1 1 50 50 ILE N N 15 118.700 0.05 . 1 . . . . 50 ILE N . 7322 1 615 . 1 1 51 51 ASP H H 1 7.426 0.02 . 1 . . . . 51 ASP H . 7322 1 616 . 1 1 51 51 ASP HA H 1 4.212 0.02 . 1 . . . . 51 ASP HA . 7322 1 617 . 1 1 51 51 ASP HB2 H 1 2.210 0.02 . 2 . . . . 51 ASP HB2 . 7322 1 618 . 1 1 51 51 ASP HB3 H 1 1.534 0.02 . 2 . . . . 51 ASP HB3 . 7322 1 619 . 1 1 51 51 ASP C C 13 176.710 0.05 . 1 . . . . 51 ASP C . 7322 1 620 . 1 1 51 51 ASP CA C 13 52.316 0.05 . 1 . . . . 51 ASP CA . 7322 1 621 . 1 1 51 51 ASP CB C 13 39.274 0.05 . 1 . . . . 51 ASP CB . 7322 1 622 . 1 1 51 51 ASP N N 15 119.700 0.05 . 1 . . . . 51 ASP N . 7322 1 623 . 1 1 52 52 ASN H H 1 8.061 0.02 . 1 . . . . 52 ASN H . 7322 1 624 . 1 1 52 52 ASN HA H 1 4.260 0.02 . 1 . . . . 52 ASN HA . 7322 1 625 . 1 1 52 52 ASN HB2 H 1 2.704 0.02 . 1 . . . . 52 ASN HB2 . 7322 1 626 . 1 1 52 52 ASN HB3 H 1 2.704 0.02 . 1 . . . . 52 ASN HB3 . 7322 1 627 . 1 1 52 52 ASN HD21 H 1 7.688 0.02 . 2 . . . . 52 ASN HD21 . 7322 1 628 . 1 1 52 52 ASN HD22 H 1 6.927 0.02 . 2 . . . . 52 ASN HD22 . 7322 1 629 . 1 1 52 52 ASN C C 13 176.320 0.05 . 1 . . . . 52 ASN C . 7322 1 630 . 1 1 52 52 ASN CA C 13 56.100 0.05 . 1 . . . . 52 ASN CA . 7322 1 631 . 1 1 52 52 ASN CB C 13 38.718 0.05 . 1 . . . . 52 ASN CB . 7322 1 632 . 1 1 52 52 ASN N N 15 121.300 0.05 . 1 . . . . 52 ASN N . 7322 1 633 . 1 1 52 52 ASN ND2 N 15 114.100 0.05 . 1 . . . . 52 ASN ND2 . 7322 1 634 . 1 1 53 53 ASP H H 1 8.343 0.02 . 1 . . . . 53 ASP H . 7322 1 635 . 1 1 53 53 ASP HA H 1 4.507 0.02 . 1 . . . . 53 ASP HA . 7322 1 636 . 1 1 53 53 ASP HB2 H 1 2.782 0.02 . 1 . . . . 53 ASP HB2 . 7322 1 637 . 1 1 53 53 ASP HB3 H 1 2.782 0.02 . 1 . . . . 53 ASP HB3 . 7322 1 638 . 1 1 53 53 ASP C C 13 175.930 0.05 . 1 . . . . 53 ASP C . 7322 1 639 . 1 1 53 53 ASP CA C 13 53.450 0.05 . 1 . . . . 53 ASP CA . 7322 1 640 . 1 1 53 53 ASP CB C 13 39.715 0.05 . 1 . . . . 53 ASP CB . 7322 1 641 . 1 1 53 53 ASP N N 15 117.200 0.05 . 1 . . . . 53 ASP N . 7322 1 642 . 1 1 54 54 GLN H H 1 7.861 0.02 . 1 . . . . 54 GLN H . 7322 1 643 . 1 1 54 54 GLN HA H 1 3.840 0.02 . 1 . . . . 54 GLN HA . 7322 1 644 . 1 1 54 54 GLN HB2 H 1 2.140 0.02 . 1 . . . . 54 GLN HB2 . 7322 1 645 . 1 1 54 54 GLN HB3 H 1 2.140 0.02 . 1 . . . . 54 GLN HB3 . 7322 1 646 . 1 1 54 54 GLN HG2 H 1 2.227 0.02 . 1 . . . . 54 GLN HG2 . 7322 1 647 . 1 1 54 54 GLN HG3 H 1 2.227 0.02 . 1 . . . . 54 GLN HG3 . 7322 1 648 . 1 1 54 54 GLN HE21 H 1 7.488 0.02 . 2 . . . . 54 GLN HE21 . 7322 1 649 . 1 1 54 54 GLN HE22 H 1 6.801 0.02 . 2 . . . . 54 GLN HE22 . 7322 1 650 . 1 1 54 54 GLN C C 13 176.320 0.05 . 1 . . . . 54 GLN C . 7322 1 651 . 1 1 54 54 GLN CA C 13 56.846 0.05 . 1 . . . . 54 GLN CA . 7322 1 652 . 1 1 54 54 GLN CB C 13 26.350 0.05 . 1 . . . . 54 GLN CB . 7322 1 653 . 1 1 54 54 GLN CG C 13 34.500 0.05 . 1 . . . . 54 GLN CG . 7322 1 654 . 1 1 54 54 GLN N N 15 115.600 0.05 . 1 . . . . 54 GLN N . 7322 1 655 . 1 1 54 54 GLN NE2 N 15 114.300 0.05 . 1 . . . . 54 GLN NE2 . 7322 1 656 . 1 1 55 55 SER H H 1 8.948 0.02 . 1 . . . . 55 SER H . 7322 1 657 . 1 1 55 55 SER HA H 1 4.282 0.02 . 1 . . . . 55 SER HA . 7322 1 658 . 1 1 55 55 SER HB2 H 1 3.714 0.02 . 2 . . . . 55 SER HB2 . 7322 1 659 . 1 1 55 55 SER HB3 H 1 3.880 0.02 . 2 . . . . 55 SER HB3 . 7322 1 660 . 1 1 55 55 SER C C 13 176.100 0.10 . 1 . . . . 55 SER C . 7322 1 661 . 1 1 55 55 SER CA C 13 59.632 0.05 . 1 . . . . 55 SER CA . 7322 1 662 . 1 1 55 55 SER CB C 13 64.346 0.05 . 1 . . . . 55 SER CB . 7322 1 663 . 1 1 55 55 SER N N 15 117.400 0.05 . 1 . . . . 55 SER N . 7322 1 664 . 1 1 56 56 GLY H H 1 10.560 0.02 . 1 . . . . 56 GLY H . 7322 1 665 . 1 1 56 56 GLY HA2 H 1 3.473 0.02 . 2 . . . . 56 GLY HA2 . 7322 1 666 . 1 1 56 56 GLY HA3 H 1 4.224 0.02 . 2 . . . . 56 GLY HA3 . 7322 1 667 . 1 1 56 56 GLY C C 13 172.810 0.05 . 1 . . . . 56 GLY C . 7322 1 668 . 1 1 56 56 GLY CA C 13 45.018 0.05 . 1 . . . . 56 GLY CA . 7322 1 669 . 1 1 56 56 GLY N N 15 114.800 0.05 . 1 . . . . 56 GLY N . 7322 1 670 . 1 1 57 57 TYR H H 1 7.730 0.02 . 1 . . . . 57 TYR H . 7322 1 671 . 1 1 57 57 TYR HA H 1 5.353 0.02 . 1 . . . . 57 TYR HA . 7322 1 672 . 1 1 57 57 TYR HB2 H 1 2.564 0.02 . 2 . . . . 57 TYR HB2 . 7322 1 673 . 1 1 57 57 TYR HB3 H 1 2.850 0.02 . 2 . . . . 57 TYR HB3 . 7322 1 674 . 1 1 57 57 TYR HD1 H 1 6.775 0.02 . 1 . . . . 57 TYR HD1 . 7322 1 675 . 1 1 57 57 TYR HD2 H 1 6.775 0.02 . 1 . . . . 57 TYR HD2 . 7322 1 676 . 1 1 57 57 TYR HE1 H 1 6.823 0.02 . 1 . . . . 57 TYR HE1 . 7322 1 677 . 1 1 57 57 TYR HE2 H 1 6.823 0.02 . 1 . . . . 57 TYR HE2 . 7322 1 678 . 1 1 57 57 TYR C C 13 173.590 0.05 . 1 . . . . 57 TYR C . 7322 1 679 . 1 1 57 57 TYR CA C 13 56.363 0.05 . 1 . . . . 57 TYR CA . 7322 1 680 . 1 1 57 57 TYR CB C 13 41.902 0.05 . 1 . . . . 57 TYR CB . 7322 1 681 . 1 1 57 57 TYR CD1 C 13 133.9 0.05 . 1 . . . . 57 TYR CD1 . 7322 1 682 . 1 1 57 57 TYR CD2 C 13 133.9 0.05 . 1 . . . . 57 TYR CD2 . 7322 1 683 . 1 1 57 57 TYR CE1 C 13 118.000 0.05 . 1 . . . . 57 TYR CE1 . 7322 1 684 . 1 1 57 57 TYR CE2 C 13 118.000 0.05 . 1 . . . . 57 TYR CE2 . 7322 1 685 . 1 1 57 57 TYR N N 15 115.797 0.05 . 1 . . . . 57 TYR N . 7322 1 686 . 1 1 58 58 LEU H H 1 9.124 0.02 . 1 . . . . 58 LEU H . 7322 1 687 . 1 1 58 58 LEU HA H 1 4.718 0.02 . 1 . . . . 58 LEU HA . 7322 1 688 . 1 1 58 58 LEU HB2 H 1 1.429 0.02 . 2 . . . . 58 LEU HB2 . 7322 1 689 . 1 1 58 58 LEU HB3 H 1 1.744 0.02 . 2 . . . . 58 LEU HB3 . 7322 1 690 . 1 1 58 58 LEU HG H 1 1.739 0.02 . 1 . . . . 58 LEU HG . 7322 1 691 . 1 1 58 58 LEU HD11 H 1 0.734 0.02 . 2 . . . . 58 LEU HD1 . 7322 1 692 . 1 1 58 58 LEU HD12 H 1 0.734 0.02 . 2 . . . . 58 LEU HD1 . 7322 1 693 . 1 1 58 58 LEU HD13 H 1 0.734 0.02 . 2 . . . . 58 LEU HD1 . 7322 1 694 . 1 1 58 58 LEU HD21 H 1 0.489 0.02 . 2 . . . . 58 LEU HD2 . 7322 1 695 . 1 1 58 58 LEU HD22 H 1 0.489 0.02 . 2 . . . . 58 LEU HD2 . 7322 1 696 . 1 1 58 58 LEU HD23 H 1 0.489 0.02 . 2 . . . . 58 LEU HD2 . 7322 1 697 . 1 1 58 58 LEU C C 13 175.930 0.05 . 1 . . . . 58 LEU C . 7322 1 698 . 1 1 58 58 LEU CA C 13 53.271 0.05 . 1 . . . . 58 LEU CA . 7322 1 699 . 1 1 58 58 LEU CB C 13 42.960 0.05 . 1 . . . . 58 LEU CB . 7322 1 700 . 1 1 58 58 LEU CG C 13 26.700 0.05 . 1 . . . . 58 LEU CG . 7322 1 701 . 1 1 58 58 LEU CD1 C 13 25.100 0.05 . 1 . . . . 58 LEU CD1 . 7322 1 702 . 1 1 58 58 LEU CD2 C 13 23.000 0.05 . 1 . . . . 58 LEU CD2 . 7322 1 703 . 1 1 58 58 LEU N N 15 119.500 0.05 . 1 . . . . 58 LEU N . 7322 1 704 . 1 1 59 59 ASP H H 1 8.569 0.02 . 1 . . . . 59 ASP H . 7322 1 705 . 1 1 59 59 ASP HA H 1 4.878 0.02 . 1 . . . . 59 ASP HA . 7322 1 706 . 1 1 59 59 ASP HB2 H 1 2.709 0.02 . 2 . . . . 59 ASP HB2 . 7322 1 707 . 1 1 59 59 ASP HB3 H 1 2.925 0.02 . 2 . . . . 59 ASP HB3 . 7322 1 708 . 1 1 59 59 ASP C C 13 177.100 0.05 . 1 . . . . 59 ASP C . 7322 1 709 . 1 1 59 59 ASP CA C 13 52.909 0.05 . 1 . . . . 59 ASP CA . 7322 1 710 . 1 1 59 59 ASP CB C 13 42.794 0.05 . 1 . . . . 59 ASP CB . 7322 1 711 . 1 1 59 59 ASP N N 15 123.700 0.05 . 1 . . . . 59 ASP N . 7322 1 712 . 1 1 60 60 GLY H H 1 8.708 0.02 . 1 . . . . 60 GLY H . 7322 1 713 . 1 1 60 60 GLY HA2 H 1 3.620 0.02 . 2 . . . . 60 GLY HA2 . 7322 1 714 . 1 1 60 60 GLY HA3 H 1 3.953 0.02 . 2 . . . . 60 GLY HA3 . 7322 1 715 . 1 1 60 60 GLY C C 13 176.710 0.05 . 1 . . . . 60 GLY C . 7322 1 716 . 1 1 60 60 GLY CA C 13 47.817 0.05 . 1 . . . . 60 GLY CA . 7322 1 717 . 1 1 60 60 GLY N N 15 108.300 0.05 . 1 . . . . 60 GLY N . 7322 1 718 . 1 1 61 61 ASP H H 1 8.448 0.02 . 1 . . . . 61 ASP H . 7322 1 719 . 1 1 61 61 ASP HA H 1 4.475 0.02 . 1 . . . . 61 ASP HA . 7322 1 720 . 1 1 61 61 ASP HB2 H 1 2.736 0.02 . 1 . . . . 61 ASP HB2 . 7322 1 721 . 1 1 61 61 ASP HB3 H 1 2.736 0.02 . 1 . . . . 61 ASP HB3 . 7322 1 722 . 1 1 61 61 ASP C C 13 177.490 0.05 . 1 . . . . 61 ASP C . 7322 1 723 . 1 1 61 61 ASP CA C 13 56.560 0.05 . 1 . . . . 61 ASP CA . 7322 1 724 . 1 1 61 61 ASP CB C 13 40.457 0.05 . 1 . . . . 61 ASP CB . 7322 1 725 . 1 1 61 61 ASP N N 15 120.700 0.05 . 1 . . . . 61 ASP N . 7322 1 726 . 1 1 62 62 GLU H H 1 7.994 0.02 . 1 . . . . 62 GLU H . 7322 1 727 . 1 1 62 62 GLU HA H 1 4.451 0.02 . 1 . . . . 62 GLU HA . 7322 1 728 . 1 1 62 62 GLU HB2 H 1 2.227 0.02 . 1 . . . . 62 GLU HB2 . 7322 1 729 . 1 1 62 62 GLU HB3 H 1 2.227 0.02 . 1 . . . . 62 GLU HB3 . 7322 1 730 . 1 1 62 62 GLU HG2 H 1 2.478 0.02 . 1 . . . . 62 GLU HG2 . 7322 1 731 . 1 1 62 62 GLU HG3 H 1 2.478 0.02 . 1 . . . . 62 GLU HG3 . 7322 1 732 . 1 1 62 62 GLU C C 13 179.450 0.05 . 1 . . . . 62 GLU C . 7322 1 733 . 1 1 62 62 GLU CA C 13 57.070 0.05 . 1 . . . . 62 GLU CA . 7322 1 734 . 1 1 62 62 GLU CB C 13 30.406 0.05 . 1 . . . . 62 GLU CB . 7322 1 735 . 1 1 62 62 GLU CG C 13 36.40 0.05 . 1 . . . . 62 GLU CG . 7322 1 736 . 1 1 62 62 GLU N N 15 117.400 0.05 . 1 . . . . 62 GLU N . 7322 1 737 . 1 1 63 63 LEU H H 1 7.808 0.02 . 1 . . . . 63 LEU H . 7322 1 738 . 1 1 63 63 LEU HA H 1 3.997 0.02 . 1 . . . . 63 LEU HA . 7322 1 739 . 1 1 63 63 LEU HB2 H 1 1.254 0.02 . 2 . . . . 63 LEU HB2 . 7322 1 740 . 1 1 63 63 LEU HB3 H 1 1.837 0.02 . 2 . . . . 63 LEU HB3 . 7322 1 741 . 1 1 63 63 LEU HG H 1 1.895 0.02 . 1 . . . . 63 LEU HG . 7322 1 742 . 1 1 63 63 LEU HD11 H 1 0.836 0.02 . 2 . . . . 63 LEU HD1 . 7322 1 743 . 1 1 63 63 LEU HD12 H 1 0.836 0.02 . 2 . . . . 63 LEU HD1 . 7322 1 744 . 1 1 63 63 LEU HD13 H 1 0.836 0.02 . 2 . . . . 63 LEU HD1 . 7322 1 745 . 1 1 63 63 LEU HD21 H 1 0.738 0.02 . 2 . . . . 63 LEU HD2 . 7322 1 746 . 1 1 63 63 LEU HD22 H 1 0.738 0.02 . 2 . . . . 63 LEU HD2 . 7322 1 747 . 1 1 63 63 LEU HD23 H 1 0.738 0.02 . 2 . . . . 63 LEU HD2 . 7322 1 748 . 1 1 63 63 LEU C C 13 177.880 0.05 . 1 . . . . 63 LEU C . 7322 1 749 . 1 1 63 63 LEU CA C 13 57.680 0.05 . 1 . . . . 63 LEU CA . 7322 1 750 . 1 1 63 63 LEU CB C 13 41.667 0.05 . 1 . . . . 63 LEU CB . 7322 1 751 . 1 1 63 63 LEU CG C 13 26.300 0.05 . 1 . . . . 63 LEU CG . 7322 1 752 . 1 1 63 63 LEU CD1 C 13 26.000 0.05 . 1 . . . . 63 LEU CD1 . 7322 1 753 . 1 1 63 63 LEU CD2 C 13 22.800 0.05 . 1 . . . . 63 LEU CD2 . 7322 1 754 . 1 1 63 63 LEU N N 15 119.900 0.05 . 1 . . . . 63 LEU N . 7322 1 755 . 1 1 64 64 LYS H H 1 7.767 0.02 . 1 . . . . 64 LYS H . 7322 1 756 . 1 1 64 64 LYS HA H 1 3.845 0.02 . 1 . . . . 64 LYS HA . 7322 1 757 . 1 1 64 64 LYS HB2 H 1 1.330 0.02 . 2 . . . . 64 LYS HB2 . 7322 1 758 . 1 1 64 64 LYS HB3 H 1 1.556 0.02 . 2 . . . . 64 LYS HB3 . 7322 1 759 . 1 1 64 64 LYS HG2 H 1 0.490 0.02 . 2 . . . . 64 LYS HG2 . 7322 1 760 . 1 1 64 64 LYS HG3 H 1 0.770 0.02 . 2 . . . . 64 LYS HG3 . 7322 1 761 . 1 1 64 64 LYS HD2 H 1 1.432 0.02 . 1 . . . . 64 LYS HD2 . 7322 1 762 . 1 1 64 64 LYS HD3 H 1 1.432 0.02 . 1 . . . . 64 LYS HD3 . 7322 1 763 . 1 1 64 64 LYS HE2 H 1 2.769 0.02 . 1 . . . . 64 LYS HE2 . 7322 1 764 . 1 1 64 64 LYS HE3 H 1 2.769 0.02 . 1 . . . . 64 LYS HE3 . 7322 1 765 . 1 1 64 64 LYS C C 13 177.880 0.05 . 1 . . . . 64 LYS C . 7322 1 766 . 1 1 64 64 LYS CA C 13 58.712 0.05 . 1 . . . . 64 LYS CA . 7322 1 767 . 1 1 64 64 LYS CB C 13 31.207 0.05 . 1 . . . . 64 LYS CB . 7322 1 768 . 1 1 64 64 LYS CG C 13 22.880 0.05 . 1 . . . . 64 LYS CG . 7322 1 769 . 1 1 64 64 LYS CD C 13 29.300 0.05 . 1 . . . . 64 LYS CD . 7322 1 770 . 1 1 64 64 LYS CE C 13 41.698 0.05 . 1 . . . . 64 LYS CE . 7322 1 771 . 1 1 64 64 LYS N N 15 116.900 0.05 . 1 . . . . 64 LYS N . 7322 1 772 . 1 1 65 65 TYR H H 1 7.470 0.02 . 1 . . . . 65 TYR H . 7322 1 773 . 1 1 65 65 TYR HA H 1 4.615 0.02 . 1 . . . . 65 TYR HA . 7322 1 774 . 1 1 65 65 TYR HB2 H 1 2.746 0.02 . 2 . . . . 65 TYR HB2 . 7322 1 775 . 1 1 65 65 TYR HB3 H 1 3.535 0.02 . 2 . . . . 65 TYR HB3 . 7322 1 776 . 1 1 65 65 TYR HD1 H 1 7.146 0.02 . 1 . . . . 65 TYR HD1 . 7322 1 777 . 1 1 65 65 TYR HD2 H 1 7.146 0.02 . 1 . . . . 65 TYR HD2 . 7322 1 778 . 1 1 65 65 TYR HE1 H 1 6.850 0.02 . 1 . . . . 65 TYR HE1 . 7322 1 779 . 1 1 65 65 TYR HE2 H 1 6.850 0.02 . 1 . . . . 65 TYR HE2 . 7322 1 780 . 1 1 65 65 TYR C C 13 175.930 0.05 . 1 . . . . 65 TYR C . 7322 1 781 . 1 1 65 65 TYR CA C 13 56.926 0.05 . 1 . . . . 65 TYR CA . 7322 1 782 . 1 1 65 65 TYR CB C 13 37.276 0.05 . 1 . . . . 65 TYR CB . 7322 1 783 . 1 1 65 65 TYR CD1 C 13 132.300 0.05 . 1 . . . . 65 TYR CD1 . 7322 1 784 . 1 1 65 65 TYR CD2 C 13 132.300 0.05 . 1 . . . . 65 TYR CD2 . 7322 1 785 . 1 1 65 65 TYR CE1 C 13 118.000 0.05 . 1 . . . . 65 TYR CE1 . 7322 1 786 . 1 1 65 65 TYR CE2 C 13 118.000 0.05 . 1 . . . . 65 TYR CE2 . 7322 1 787 . 1 1 65 65 TYR N N 15 119.200 0.05 . 1 . . . . 65 TYR N . 7322 1 788 . 1 1 66 66 PHE H H 1 7.719 0.02 . 1 . . . . 66 PHE H . 7322 1 789 . 1 1 66 66 PHE HA H 1 4.095 0.02 . 1 . . . . 66 PHE HA . 7322 1 790 . 1 1 66 66 PHE HB2 H 1 2.447 0.02 . 2 . . . . 66 PHE HB2 . 7322 1 791 . 1 1 66 66 PHE HB3 H 1 3.510 0.02 . 2 . . . . 66 PHE HB3 . 7322 1 792 . 1 1 66 66 PHE HD1 H 1 6.810 0.02 . 1 . . . . 66 PHE HD1 . 7322 1 793 . 1 1 66 66 PHE HD2 H 1 6.810 0.02 . 1 . . . . 66 PHE HD2 . 7322 1 794 . 1 1 66 66 PHE HE1 H 1 7.076 0.02 . 1 . . . . 66 PHE HE1 . 7322 1 795 . 1 1 66 66 PHE HE2 H 1 7.076 0.02 . 1 . . . . 66 PHE HE2 . 7322 1 796 . 1 1 66 66 PHE C C 13 177.100 0.05 . 1 . . . . 66 PHE C . 7322 1 797 . 1 1 66 66 PHE CA C 13 62.625 0.05 . 1 . . . . 66 PHE CA . 7322 1 798 . 1 1 66 66 PHE CB C 13 41.747 0.05 . 1 . . . . 66 PHE CB . 7322 1 799 . 1 1 66 66 PHE CD1 C 13 131.8 0.05 . 1 . . . . 66 PHE CD1 . 7322 1 800 . 1 1 66 66 PHE CD2 C 13 131.8 0.05 . 1 . . . . 66 PHE CD2 . 7322 1 801 . 1 1 66 66 PHE CE1 C 13 130.6 0.05 . 1 . . . . 66 PHE CE1 . 7322 1 802 . 1 1 66 66 PHE CE2 C 13 130.6 0.05 . 1 . . . . 66 PHE CE2 . 7322 1 803 . 1 1 66 66 PHE N N 15 120.300 0.05 . 1 . . . . 66 PHE N . 7322 1 804 . 1 1 67 67 LEU H H 1 8.580 0.02 . 1 . . . . 67 LEU H . 7322 1 805 . 1 1 67 67 LEU HA H 1 3.829 0.02 . 1 . . . . 67 LEU HA . 7322 1 806 . 1 1 67 67 LEU HB2 H 1 1.227 0.02 . 2 . . . . 67 LEU HB2 . 7322 1 807 . 1 1 67 67 LEU HB3 H 1 1.915 0.02 . 2 . . . . 67 LEU HB3 . 7322 1 808 . 1 1 67 67 LEU HG H 1 1.334 0.02 . 1 . . . . 67 LEU HG . 7322 1 809 . 1 1 67 67 LEU HD11 H 1 0.690 0.02 . 2 . . . . 67 LEU HD1 . 7322 1 810 . 1 1 67 67 LEU HD12 H 1 0.690 0.02 . 2 . . . . 67 LEU HD1 . 7322 1 811 . 1 1 67 67 LEU HD13 H 1 0.690 0.02 . 2 . . . . 67 LEU HD1 . 7322 1 812 . 1 1 67 67 LEU HD21 H 1 0.243 0.02 . 2 . . . . 67 LEU HD2 . 7322 1 813 . 1 1 67 67 LEU HD22 H 1 0.243 0.02 . 2 . . . . 67 LEU HD2 . 7322 1 814 . 1 1 67 67 LEU HD23 H 1 0.243 0.02 . 2 . . . . 67 LEU HD2 . 7322 1 815 . 1 1 67 67 LEU C C 13 180.620 0.05 . 1 . . . . 67 LEU C . 7322 1 816 . 1 1 67 67 LEU CA C 13 57.611 0.05 . 1 . . . . 67 LEU CA . 7322 1 817 . 1 1 67 67 LEU CB C 13 40.897 0.05 . 1 . . . . 67 LEU CB . 7322 1 818 . 1 1 67 67 LEU CG C 13 26.300 0.05 . 1 . . . . 67 LEU CG . 7322 1 819 . 1 1 67 67 LEU CD1 C 13 25.100 0.05 . 1 . . . . 67 LEU CD1 . 7322 1 820 . 1 1 67 67 LEU CD2 C 13 21.700 0.05 . 1 . . . . 67 LEU CD2 . 7322 1 821 . 1 1 67 67 LEU N N 15 111.900 0.05 . 1 . . . . 67 LEU N . 7322 1 822 . 1 1 68 68 GLN H H 1 7.260 0.02 . 1 . . . . 68 GLN H . 7322 1 823 . 1 1 68 68 GLN HA H 1 4.658 0.02 . 1 . . . . 68 GLN HA . 7322 1 824 . 1 1 68 68 GLN HB2 H 1 2.047 0.02 . 2 . . . . 68 GLN HB2 . 7322 1 825 . 1 1 68 68 GLN HB3 H 1 2.236 0.02 . 2 . . . . 68 GLN HB3 . 7322 1 826 . 1 1 68 68 GLN HG2 H 1 2.310 0.02 . 2 . . . . 68 GLN HG2 . 7322 1 827 . 1 1 68 68 GLN HG3 H 1 2.510 0.02 . 2 . . . . 68 GLN HG3 . 7322 1 828 . 1 1 68 68 GLN HE21 H 1 7.620 0.02 . 2 . . . . 68 GLN HE21 . 7322 1 829 . 1 1 68 68 GLN HE22 H 1 6.898 0.02 . 2 . . . . 68 GLN HE22 . 7322 1 830 . 1 1 68 68 GLN C C 13 177.880 0.05 . 1 . . . . 68 GLN C . 7322 1 831 . 1 1 68 68 GLN CA C 13 55.949 0.05 . 1 . . . . 68 GLN CA . 7322 1 832 . 1 1 68 68 GLN CB C 13 26.799 0.05 . 1 . . . . 68 GLN CB . 7322 1 833 . 1 1 68 68 GLN CG C 13 34.175 0.05 . 1 . . . . 68 GLN CG . 7322 1 834 . 1 1 68 68 GLN N N 15 115.800 0.05 . 1 . . . . 68 GLN N . 7322 1 835 . 1 1 68 68 GLN NE2 N 15 113.100 0.05 . 1 . . . . 68 GLN NE2 . 7322 1 836 . 1 1 69 69 LYS H H 1 7.340 0.02 . 1 . . . . 69 LYS H . 7322 1 837 . 1 1 69 69 LYS HA H 1 3.927 0.02 . 1 . . . . 69 LYS HA . 7322 1 838 . 1 1 69 69 LYS HB2 H 1 1.272 0.02 . 2 . . . . 69 LYS HB2 . 7322 1 839 . 1 1 69 69 LYS HB3 H 1 1.573 0.02 . 2 . . . . 69 LYS HB3 . 7322 1 840 . 1 1 69 69 LYS HG2 H 1 1.336 0.02 . 2 . . . . 69 LYS HG2 . 7322 1 841 . 1 1 69 69 LYS HG3 H 1 1.662 0.02 . 2 . . . . 69 LYS HG3 . 7322 1 842 . 1 1 69 69 LYS HD2 H 1 1.511 0.02 . 1 . . . . 69 LYS HD2 . 7322 1 843 . 1 1 69 69 LYS HD3 H 1 1.511 0.02 . 1 . . . . 69 LYS HD3 . 7322 1 844 . 1 1 69 69 LYS HE2 H 1 2.870 0.02 . 1 . . . . 69 LYS HE2 . 7322 1 845 . 1 1 69 69 LYS HE3 H 1 2.870 0.02 . 1 . . . . 69 LYS HE3 . 7322 1 846 . 1 1 69 69 LYS C C 13 176.320 0.05 . 1 . . . . 69 LYS C . 7322 1 847 . 1 1 69 69 LYS CA C 13 55.329 0.05 . 1 . . . . 69 LYS CA . 7322 1 848 . 1 1 69 69 LYS CB C 13 30.430 0.05 . 1 . . . . 69 LYS CB . 7322 1 849 . 1 1 69 69 LYS CG C 13 23.650 0.05 . 1 . . . . 69 LYS CG . 7322 1 850 . 1 1 69 69 LYS CD C 13 27.100 0.05 . 1 . . . . 69 LYS CD . 7322 1 851 . 1 1 69 69 LYS CE C 13 42.662 0.05 . 1 . . . . 69 LYS CE . 7322 1 852 . 1 1 69 69 LYS N N 15 115.500 0.05 . 1 . . . . 69 LYS N . 7322 1 853 . 1 1 70 70 PHE H H 1 7.600 0.02 . 1 . . . . 70 PHE H . 7322 1 854 . 1 1 70 70 PHE HA H 1 4.088 0.02 . 1 . . . . 70 PHE HA . 7322 1 855 . 1 1 70 70 PHE HB2 H 1 2.989 0.02 . 2 . . . . 70 PHE HB2 . 7322 1 856 . 1 1 70 70 PHE HB3 H 1 3.220 0.02 . 2 . . . . 70 PHE HB3 . 7322 1 857 . 1 1 70 70 PHE HD1 H 1 7.134 0.02 . 1 . . . . 70 PHE HD1 . 7322 1 858 . 1 1 70 70 PHE HD2 H 1 7.134 0.02 . 1 . . . . 70 PHE HD2 . 7322 1 859 . 1 1 70 70 PHE HE1 H 1 6.478 0.02 . 1 . . . . 70 PHE HE1 . 7322 1 860 . 1 1 70 70 PHE HE2 H 1 6.478 0.02 . 1 . . . . 70 PHE HE2 . 7322 1 861 . 1 1 70 70 PHE C C 13 175.540 0.05 . 1 . . . . 70 PHE C . 7322 1 862 . 1 1 70 70 PHE CA C 13 59.872 0.05 . 1 . . . . 70 PHE CA . 7322 1 863 . 1 1 70 70 PHE CB C 13 38.907 0.05 . 1 . . . . 70 PHE CB . 7322 1 864 . 1 1 70 70 PHE N N 15 115.800 0.05 . 1 . . . . 70 PHE N . 7322 1 865 . 1 1 71 71 GLN H H 1 7.597 0.02 . 1 . . . . 71 GLN H . 7322 1 866 . 1 1 71 71 GLN HA H 1 4.313 0.02 . 1 . . . . 71 GLN HA . 7322 1 867 . 1 1 71 71 GLN HB2 H 1 1.825 0.02 . 2 . . . . 71 GLN HB2 . 7322 1 868 . 1 1 71 71 GLN HB3 H 1 1.915 0.02 . 2 . . . . 71 GLN HB3 . 7322 1 869 . 1 1 71 71 GLN HG2 H 1 2.380 0.02 . 2 . . . . 71 GLN HG2 . 7322 1 870 . 1 1 71 71 GLN HG3 H 1 2.430 0.02 . 2 . . . . 71 GLN HG3 . 7322 1 871 . 1 1 71 71 GLN HE21 H 1 8.060 0.02 . 2 . . . . 71 GLN HE21 . 7322 1 872 . 1 1 71 71 GLN HE22 H 1 6.737 0.02 . 2 . . . . 71 GLN HE22 . 7322 1 873 . 1 1 71 71 GLN C C 13 176.320 0.05 . 1 . . . . 71 GLN C . 7322 1 874 . 1 1 71 71 GLN CA C 13 56.908 0.05 . 1 . . . . 71 GLN CA . 7322 1 875 . 1 1 71 71 GLN CB C 13 32.600 0.05 . 1 . . . . 71 GLN CB . 7322 1 876 . 1 1 71 71 GLN CG C 13 33.600 0.05 . 1 . . . . 71 GLN CG . 7322 1 877 . 1 1 71 71 GLN N N 15 119.400 0.05 . 1 . . . . 71 GLN N . 7322 1 878 . 1 1 71 71 GLN NE2 N 15 112.800 0.05 . 1 . . . . 71 GLN NE2 . 7322 1 879 . 1 1 72 72 SER H H 1 8.820 0.02 . 1 . . . . 72 SER H . 7322 1 880 . 1 1 72 72 SER HA H 1 4.342 0.02 . 1 . . . . 72 SER HA . 7322 1 881 . 1 1 72 72 SER HB2 H 1 3.883 0.02 . 1 . . . . 72 SER HB2 . 7322 1 882 . 1 1 72 72 SER HB3 H 1 3.883 0.02 . 1 . . . . 72 SER HB3 . 7322 1 883 . 1 1 72 72 SER C C 13 173.980 0.05 . 1 . . . . 72 SER C . 7322 1 884 . 1 1 72 72 SER CA C 13 62.095 0.05 . 1 . . . . 72 SER CA . 7322 1 885 . 1 1 72 72 SER CB C 13 63.196 0.05 . 1 . . . . 72 SER CB . 7322 1 886 . 1 1 72 72 SER N N 15 121.700 0.05 . 1 . . . . 72 SER N . 7322 1 887 . 1 1 73 73 ASP H H 1 8.114 0.02 . 1 . . . . 73 ASP H . 7322 1 888 . 1 1 73 73 ASP HA H 1 4.656 0.02 . 1 . . . . 73 ASP HA . 7322 1 889 . 1 1 73 73 ASP HB2 H 1 2.605 0.02 . 2 . . . . 73 ASP HB2 . 7322 1 890 . 1 1 73 73 ASP HB3 H 1 2.875 0.02 . 2 . . . . 73 ASP HB3 . 7322 1 891 . 1 1 73 73 ASP C C 13 175.930 0.05 . 1 . . . . 73 ASP C . 7322 1 892 . 1 1 73 73 ASP CA C 13 53.600 0.05 . 1 . . . . 73 ASP CA . 7322 1 893 . 1 1 73 73 ASP CB C 13 39.792 0.05 . 1 . . . . 73 ASP CB . 7322 1 894 . 1 1 73 73 ASP N N 15 117.900 0.05 . 1 . . . . 73 ASP N . 7322 1 895 . 1 1 74 74 ALA H H 1 7.690 0.02 . 1 . . . . 74 ALA H . 7322 1 896 . 1 1 74 74 ALA HA H 1 4.241 0.02 . 1 . . . . 74 ALA HA . 7322 1 897 . 1 1 74 74 ALA HB1 H 1 1.378 0.02 . 1 . . . . 74 ALA HB . 7322 1 898 . 1 1 74 74 ALA HB2 H 1 1.378 0.02 . 1 . . . . 74 ALA HB . 7322 1 899 . 1 1 74 74 ALA HB3 H 1 1.378 0.02 . 1 . . . . 74 ALA HB . 7322 1 900 . 1 1 74 74 ALA C C 13 176.320 0.05 . 1 . . . . 74 ALA C . 7322 1 901 . 1 1 74 74 ALA CA C 13 52.008 0.05 . 1 . . . . 74 ALA CA . 7322 1 902 . 1 1 74 74 ALA CB C 13 21.400 0.05 . 1 . . . . 74 ALA CB . 7322 1 903 . 1 1 74 74 ALA N N 15 121.800 0.05 . 1 . . . . 74 ALA N . 7322 1 904 . 1 1 75 75 ARG H H 1 8.355 0.02 . 1 . . . . 75 ARG H . 7322 1 905 . 1 1 75 75 ARG HA H 1 4.439 0.02 . 1 . . . . 75 ARG HA . 7322 1 906 . 1 1 75 75 ARG HB2 H 1 1.849 0.02 . 2 . . . . 75 ARG HB2 . 7322 1 907 . 1 1 75 75 ARG HB3 H 1 1.950 0.02 . 2 . . . . 75 ARG HB3 . 7322 1 908 . 1 1 75 75 ARG HG2 H 1 1.236 0.02 . 2 . . . . 75 ARG HG2 . 7322 1 909 . 1 1 75 75 ARG HG3 H 1 1.448 0.02 . 2 . . . . 75 ARG HG3 . 7322 1 910 . 1 1 75 75 ARG HD2 H 1 3.003 0.02 . 2 . . . . 75 ARG HD2 . 7322 1 911 . 1 1 75 75 ARG HD3 H 1 3.263 0.02 . 2 . . . . 75 ARG HD3 . 7322 1 912 . 1 1 75 75 ARG HE H 1 6.560 0.02 . 1 . . . . 75 ARG HE . 7322 1 913 . 1 1 75 75 ARG C C 13 175.930 0.05 . 1 . . . . 75 ARG C . 7322 1 914 . 1 1 75 75 ARG CA C 13 54.935 0.05 . 1 . . . . 75 ARG CA . 7322 1 915 . 1 1 75 75 ARG CB C 13 30.200 0.05 . 1 . . . . 75 ARG CB . 7322 1 916 . 1 1 75 75 ARG CG C 13 27.000 0.05 . 1 . . . . 75 ARG CG . 7322 1 917 . 1 1 75 75 ARG CD C 13 43.010 0.05 . 1 . . . . 75 ARG CD . 7322 1 918 . 1 1 75 75 ARG N N 15 117.200 0.05 . 1 . . . . 75 ARG N . 7322 1 919 . 1 1 75 75 ARG NE N 15 120.1 0.05 . 1 . . . . 75 ARG NE . 7322 1 920 . 1 1 76 76 GLU H H 1 8.298 0.02 . 1 . . . . 76 GLU H . 7322 1 921 . 1 1 76 76 GLU HA H 1 4.137 0.02 . 1 . . . . 76 GLU HA . 7322 1 922 . 1 1 76 76 GLU HB2 H 1 1.733 0.02 . 2 . . . . 76 GLU HB2 . 7322 1 923 . 1 1 76 76 GLU HB3 H 1 1.845 0.02 . 2 . . . . 76 GLU HB3 . 7322 1 924 . 1 1 76 76 GLU HG2 H 1 2.096 0.02 . 2 . . . . 76 GLU HG2 . 7322 1 925 . 1 1 76 76 GLU HG3 H 1 2.352 0.02 . 2 . . . . 76 GLU HG3 . 7322 1 926 . 1 1 76 76 GLU C C 13 178.280 0.05 . 1 . . . . 76 GLU C . 7322 1 927 . 1 1 76 76 GLU CA C 13 56.192 0.05 . 1 . . . . 76 GLU CA . 7322 1 928 . 1 1 76 76 GLU CB C 13 31.080 0.05 . 1 . . . . 76 GLU CB . 7322 1 929 . 1 1 76 76 GLU CG C 13 36.825 0.05 . 1 . . . . 76 GLU CG . 7322 1 930 . 1 1 76 76 GLU N N 15 116.600 0.05 . 1 . . . . 76 GLU N . 7322 1 931 . 1 1 77 77 LEU H H 1 8.510 0.02 . 1 . . . . 77 LEU H . 7322 1 932 . 1 1 77 77 LEU HA H 1 4.520 0.02 . 1 . . . . 77 LEU HA . 7322 1 933 . 1 1 77 77 LEU HB2 H 1 1.401 0.02 . 2 . . . . 77 LEU HB2 . 7322 1 934 . 1 1 77 77 LEU HB3 H 1 1.640 0.02 . 2 . . . . 77 LEU HB3 . 7322 1 935 . 1 1 77 77 LEU HG H 1 1.540 0.02 . 1 . . . . 77 LEU HG . 7322 1 936 . 1 1 77 77 LEU HD11 H 1 0.264 0.02 . 2 . . . . 77 LEU HD1 . 7322 1 937 . 1 1 77 77 LEU HD12 H 1 0.264 0.02 . 2 . . . . 77 LEU HD1 . 7322 1 938 . 1 1 77 77 LEU HD13 H 1 0.264 0.02 . 2 . . . . 77 LEU HD1 . 7322 1 939 . 1 1 77 77 LEU HD21 H 1 0.131 0.02 . 2 . . . . 77 LEU HD2 . 7322 1 940 . 1 1 77 77 LEU HD22 H 1 0.131 0.02 . 2 . . . . 77 LEU HD2 . 7322 1 941 . 1 1 77 77 LEU HD23 H 1 0.131 0.02 . 2 . . . . 77 LEU HD2 . 7322 1 942 . 1 1 77 77 LEU C C 13 178.280 0.05 . 1 . . . . 77 LEU C . 7322 1 943 . 1 1 77 77 LEU CA C 13 54.158 0.05 . 1 . . . . 77 LEU CA . 7322 1 944 . 1 1 77 77 LEU CB C 13 42.933 0.05 . 1 . . . . 77 LEU CB . 7322 1 945 . 1 1 77 77 LEU CG C 13 27.000 0.05 . 1 . . . . 77 LEU CG . 7322 1 946 . 1 1 77 77 LEU CD1 C 13 26.100 0.05 . 1 . . . . 77 LEU CD1 . 7322 1 947 . 1 1 77 77 LEU CD2 C 13 22.400 0.05 . 1 . . . . 77 LEU CD2 . 7322 1 948 . 1 1 77 77 LEU N N 15 121.900 0.05 . 1 . . . . 77 LEU N . 7322 1 949 . 1 1 78 78 THR H H 1 9.840 0.02 . 1 . . . . 78 THR H . 7322 1 950 . 1 1 78 78 THR HA H 1 4.340 0.02 . 1 . . . . 78 THR HA . 7322 1 951 . 1 1 78 78 THR HB H 1 4.824 0.02 . 1 . . . . 78 THR HB . 7322 1 952 . 1 1 78 78 THR HG21 H 1 1.310 0.02 . 1 . . . . 78 THR HG2 . 7322 1 953 . 1 1 78 78 THR HG22 H 1 1.310 0.02 . 1 . . . . 78 THR HG2 . 7322 1 954 . 1 1 78 78 THR HG23 H 1 1.310 0.02 . 1 . . . . 78 THR HG2 . 7322 1 955 . 1 1 78 78 THR C C 13 175.930 0.05 . 1 . . . . 78 THR C . 7322 1 956 . 1 1 78 78 THR CA C 13 60.476 0.05 . 1 . . . . 78 THR CA . 7322 1 957 . 1 1 78 78 THR CB C 13 70.963 0.05 . 1 . . . . 78 THR CB . 7322 1 958 . 1 1 78 78 THR CG2 C 13 21.800 0.05 . 1 . . . . 78 THR CG2 . 7322 1 959 . 1 1 78 78 THR N N 15 113.900 0.05 . 1 . . . . 78 THR N . 7322 1 960 . 1 1 79 79 GLU H H 1 9.073 0.02 . 1 . . . . 79 GLU H . 7322 1 961 . 1 1 79 79 GLU HA H 1 4.094 0.02 . 1 . . . . 79 GLU HA . 7322 1 962 . 1 1 79 79 GLU HB2 H 1 2.048 0.02 . 1 . . . . 79 GLU HB2 . 7322 1 963 . 1 1 79 79 GLU HB3 H 1 2.048 0.02 . 1 . . . . 79 GLU HB3 . 7322 1 964 . 1 1 79 79 GLU HG2 H 1 2.260 0.02 . 2 . . . . 79 GLU HG2 . 7322 1 965 . 1 1 79 79 GLU HG3 H 1 2.350 0.02 . 2 . . . . 79 GLU HG3 . 7322 1 966 . 1 1 79 79 GLU C C 13 179.450 0.05 . 1 . . . . 79 GLU C . 7322 1 967 . 1 1 79 79 GLU CA C 13 59.893 0.05 . 1 . . . . 79 GLU CA . 7322 1 968 . 1 1 79 79 GLU CB C 13 29.188 0.05 . 1 . . . . 79 GLU CB . 7322 1 969 . 1 1 79 79 GLU CG C 13 36.584 0.05 . 1 . . . . 79 GLU CG . 7322 1 970 . 1 1 79 79 GLU N N 15 121.400 0.05 . 1 . . . . 79 GLU N . 7322 1 971 . 1 1 80 80 SER H H 1 8.596 0.02 . 1 . . . . 80 SER H . 7322 1 972 . 1 1 80 80 SER HA H 1 4.204 0.02 . 1 . . . . 80 SER HA . 7322 1 973 . 1 1 80 80 SER HB2 H 1 3.896 0.02 . 1 . . . . 80 SER HB2 . 7322 1 974 . 1 1 80 80 SER HB3 H 1 3.896 0.02 . 1 . . . . 80 SER HB3 . 7322 1 975 . 1 1 80 80 SER C C 13 177.490 0.05 . 1 . . . . 80 SER C . 7322 1 976 . 1 1 80 80 SER CA C 13 61.800 0.05 . 1 . . . . 80 SER CA . 7322 1 977 . 1 1 80 80 SER CB C 13 62.544 0.05 . 1 . . . . 80 SER CB . 7322 1 978 . 1 1 80 80 SER N N 15 115.200 0.05 . 1 . . . . 80 SER N . 7322 1 979 . 1 1 81 81 GLU H H 1 7.754 0.02 . 1 . . . . 81 GLU H . 7322 1 980 . 1 1 81 81 GLU HA H 1 4.200 0.02 . 1 . . . . 81 GLU HA . 7322 1 981 . 1 1 81 81 GLU HB2 H 1 1.854 0.02 . 2 . . . . 81 GLU HB2 . 7322 1 982 . 1 1 81 81 GLU HB3 H 1 2.556 0.02 . 2 . . . . 81 GLU HB3 . 7322 1 983 . 1 1 81 81 GLU HG2 H 1 2.831 0.02 . 2 . . . . 81 GLU HG2 . 7322 1 984 . 1 1 81 81 GLU HG3 H 1 2.551 0.02 . 2 . . . . 81 GLU HG3 . 7322 1 985 . 1 1 81 81 GLU C C 13 179.840 0.05 . 1 . . . . 81 GLU C . 7322 1 986 . 1 1 81 81 GLU CA C 13 58.739 0.05 . 1 . . . . 81 GLU CA . 7322 1 987 . 1 1 81 81 GLU CB C 13 31.280 0.05 . 1 . . . . 81 GLU CB . 7322 1 988 . 1 1 81 81 GLU CG C 13 38.485 0.05 . 1 . . . . 81 GLU CG . 7322 1 989 . 1 1 81 81 GLU N N 15 123.500 0.05 . 1 . . . . 81 GLU N . 7322 1 990 . 1 1 82 82 THR H H 1 8.878 0.02 . 1 . . . . 82 THR H . 7322 1 991 . 1 1 82 82 THR HA H 1 3.633 0.02 . 1 . . . . 82 THR HA . 7322 1 992 . 1 1 82 82 THR HB H 1 4.114 0.02 . 1 . . . . 82 THR HB . 7322 1 993 . 1 1 82 82 THR HG21 H 1 1.001 0.02 . 1 . . . . 82 THR HG2 . 7322 1 994 . 1 1 82 82 THR HG22 H 1 1.001 0.02 . 1 . . . . 82 THR HG2 . 7322 1 995 . 1 1 82 82 THR HG23 H 1 1.001 0.02 . 1 . . . . 82 THR HG2 . 7322 1 996 . 1 1 82 82 THR C C 13 177.100 0.05 . 1 . . . . 82 THR C . 7322 1 997 . 1 1 82 82 THR CA C 13 67.300 0.05 . 1 . . . . 82 THR CA . 7322 1 998 . 1 1 82 82 THR CB C 13 67.900 0.05 . 1 . . . . 82 THR CB . 7322 1 999 . 1 1 82 82 THR CG2 C 13 22.500 0.05 . 1 . . . . 82 THR CG2 . 7322 1 1000 . 1 1 82 82 THR N N 15 114.500 0.05 . 1 . . . . 82 THR N . 7322 1 1001 . 1 1 83 83 LYS H H 1 7.840 0.02 . 1 . . . . 83 LYS H . 7322 1 1002 . 1 1 83 83 LYS HA H 1 4.007 0.02 . 1 . . . . 83 LYS HA . 7322 1 1003 . 1 1 83 83 LYS HB2 H 1 1.955 0.02 . 1 . . . . 83 LYS HB2 . 7322 1 1004 . 1 1 83 83 LYS HB3 H 1 1.955 0.02 . 1 . . . . 83 LYS HB3 . 7322 1 1005 . 1 1 83 83 LYS HG2 H 1 1.418 0.02 . 2 . . . . 83 LYS HG2 . 7322 1 1006 . 1 1 83 83 LYS HG3 H 1 1.474 0.02 . 2 . . . . 83 LYS HG3 . 7322 1 1007 . 1 1 83 83 LYS HD2 H 1 1.708 0.02 . 1 . . . . 83 LYS HD2 . 7322 1 1008 . 1 1 83 83 LYS HD3 H 1 1.708 0.02 . 1 . . . . 83 LYS HD3 . 7322 1 1009 . 1 1 83 83 LYS HE2 H 1 2.996 0.02 . 1 . . . . 83 LYS HE2 . 7322 1 1010 . 1 1 83 83 LYS HE3 H 1 2.996 0.02 . 1 . . . . 83 LYS HE3 . 7322 1 1011 . 1 1 83 83 LYS C C 13 178.280 0.05 . 1 . . . . 83 LYS C . 7322 1 1012 . 1 1 83 83 LYS CA C 13 59.417 0.05 . 1 . . . . 83 LYS CA . 7322 1 1013 . 1 1 83 83 LYS CB C 13 31.775 0.05 . 1 . . . . 83 LYS CB . 7322 1 1014 . 1 1 83 83 LYS CG C 13 24.939 0.05 . 1 . . . . 83 LYS CG . 7322 1 1015 . 1 1 83 83 LYS CD C 13 28.900 0.05 . 1 . . . . 83 LYS CD . 7322 1 1016 . 1 1 83 83 LYS CE C 13 42.394 0.05 . 1 . . . . 83 LYS CE . 7322 1 1017 . 1 1 83 83 LYS N N 15 123.200 0.05 . 1 . . . . 83 LYS N . 7322 1 1018 . 1 1 84 84 SER H H 1 7.806 0.02 . 1 . . . . 84 SER H . 7322 1 1019 . 1 1 84 84 SER HA H 1 4.289 0.02 . 1 . . . . 84 SER HA . 7322 1 1020 . 1 1 84 84 SER HB2 H 1 3.961 0.02 . 2 . . . . 84 SER HB2 . 7322 1 1021 . 1 1 84 84 SER HB3 H 1 4.008 0.02 . 2 . . . . 84 SER HB3 . 7322 1 1022 . 1 1 84 84 SER C C 13 177.100 0.05 . 1 . . . . 84 SER C . 7322 1 1023 . 1 1 84 84 SER CA C 13 61.648 0.05 . 1 . . . . 84 SER CA . 7322 1 1024 . 1 1 84 84 SER CB C 13 62.716 0.05 . 1 . . . . 84 SER CB . 7322 1 1025 . 1 1 84 84 SER N N 15 114.800 0.05 . 1 . . . . 84 SER N . 7322 1 1026 . 1 1 85 85 LEU H H 1 7.548 0.02 . 1 . . . . 85 LEU H . 7322 1 1027 . 1 1 85 85 LEU HA H 1 4.035 0.02 . 1 . . . . 85 LEU HA . 7322 1 1028 . 1 1 85 85 LEU HB2 H 1 1.588 0.02 . 2 . . . . 85 LEU HB2 . 7322 1 1029 . 1 1 85 85 LEU HB3 H 1 1.691 0.02 . 2 . . . . 85 LEU HB3 . 7322 1 1030 . 1 1 85 85 LEU HG H 1 1.451 0.02 . 1 . . . . 85 LEU HG . 7322 1 1031 . 1 1 85 85 LEU HD11 H 1 0.486 0.02 . 2 . . . . 85 LEU HD1 . 7322 1 1032 . 1 1 85 85 LEU HD12 H 1 0.486 0.02 . 2 . . . . 85 LEU HD1 . 7322 1 1033 . 1 1 85 85 LEU HD13 H 1 0.486 0.02 . 2 . . . . 85 LEU HD1 . 7322 1 1034 . 1 1 85 85 LEU HD21 H 1 0.400 0.02 . 2 . . . . 85 LEU HD2 . 7322 1 1035 . 1 1 85 85 LEU HD22 H 1 0.400 0.02 . 2 . . . . 85 LEU HD2 . 7322 1 1036 . 1 1 85 85 LEU HD23 H 1 0.400 0.02 . 2 . . . . 85 LEU HD2 . 7322 1 1037 . 1 1 85 85 LEU C C 13 176.710 0.05 . 1 . . . . 85 LEU C . 7322 1 1038 . 1 1 85 85 LEU CA C 13 58.300 0.05 . 1 . . . . 85 LEU CA . 7322 1 1039 . 1 1 85 85 LEU CB C 13 42.569 0.05 . 1 . . . . 85 LEU CB . 7322 1 1040 . 1 1 85 85 LEU CG C 13 27.450 0.05 . 1 . . . . 85 LEU CG . 7322 1 1041 . 1 1 85 85 LEU CD1 C 13 24.500 0.05 . 1 . . . . 85 LEU CD1 . 7322 1 1042 . 1 1 85 85 LEU CD2 C 13 24.820 0.05 . 1 . . . . 85 LEU CD2 . 7322 1 1043 . 1 1 85 85 LEU N N 15 123.600 0.05 . 1 . . . . 85 LEU N . 7322 1 1044 . 1 1 86 86 MET H H 1 7.847 0.02 . 1 . . . . 86 MET H . 7322 1 1045 . 1 1 86 86 MET HA H 1 4.057 0.02 . 1 . . . . 86 MET HA . 7322 1 1046 . 1 1 86 86 MET HB2 H 1 2.101 0.02 . 2 . . . . 86 MET HB2 . 7322 1 1047 . 1 1 86 86 MET HB3 H 1 2.160 0.02 . 2 . . . . 86 MET HB3 . 7322 1 1048 . 1 1 86 86 MET HG2 H 1 2.459 0.02 . 2 . . . . 86 MET HG2 . 7322 1 1049 . 1 1 86 86 MET HG3 H 1 2.600 0.02 . 2 . . . . 86 MET HG3 . 7322 1 1050 . 1 1 86 86 MET HE1 H 1 1.934 0.02 . 1 . . . . 86 MET HE . 7322 1 1051 . 1 1 86 86 MET HE2 H 1 1.934 0.02 . 1 . . . . 86 MET HE . 7322 1 1052 . 1 1 86 86 MET HE3 H 1 1.934 0.02 . 1 . . . . 86 MET HE . 7322 1 1053 . 1 1 86 86 MET C C 13 179.060 0.05 . 1 . . . . 86 MET C . 7322 1 1054 . 1 1 86 86 MET CA C 13 58.292 0.05 . 1 . . . . 86 MET CA . 7322 1 1055 . 1 1 86 86 MET CB C 13 32.300 0.05 . 1 . . . . 86 MET CB . 7322 1 1056 . 1 1 86 86 MET CG C 13 32.600 0.05 . 1 . . . . 86 MET CG . 7322 1 1057 . 1 1 86 86 MET CE C 13 17.070 0.05 . 1 . . . . 86 MET CE . 7322 1 1058 . 1 1 86 86 MET N N 15 117.200 0.05 . 1 . . . . 86 MET N . 7322 1 1059 . 1 1 87 87 ASP H H 1 8.837 0.02 . 1 . . . . 87 ASP H . 7322 1 1060 . 1 1 87 87 ASP HA H 1 4.411 0.02 . 1 . . . . 87 ASP HA . 7322 1 1061 . 1 1 87 87 ASP HB2 H 1 2.671 0.02 . 1 . . . . 87 ASP HB2 . 7322 1 1062 . 1 1 87 87 ASP HB3 H 1 2.671 0.02 . 1 . . . . 87 ASP HB3 . 7322 1 1063 . 1 1 87 87 ASP C C 13 178.280 0.05 . 1 . . . . 87 ASP C . 7322 1 1064 . 1 1 87 87 ASP CA C 13 56.362 0.05 . 1 . . . . 87 ASP CA . 7322 1 1065 . 1 1 87 87 ASP CB C 13 40.500 0.05 . 1 . . . . 87 ASP CB . 7322 1 1066 . 1 1 87 87 ASP N N 15 118.800 0.05 . 1 . . . . 87 ASP N . 7322 1 1067 . 1 1 88 88 ALA H H 1 7.537 0.02 . 1 . . . . 88 ALA H . 7322 1 1068 . 1 1 88 88 ALA HA H 1 4.227 0.02 . 1 . . . . 88 ALA HA . 7322 1 1069 . 1 1 88 88 ALA HB1 H 1 1.582 0.02 . 1 . . . . 88 ALA HB . 7322 1 1070 . 1 1 88 88 ALA HB2 H 1 1.582 0.02 . 1 . . . . 88 ALA HB . 7322 1 1071 . 1 1 88 88 ALA HB3 H 1 1.582 0.02 . 1 . . . . 88 ALA HB . 7322 1 1072 . 1 1 88 88 ALA C C 13 177.880 0.05 . 1 . . . . 88 ALA C . 7322 1 1073 . 1 1 88 88 ALA CA C 13 53.508 0.05 . 1 . . . . 88 ALA CA . 7322 1 1074 . 1 1 88 88 ALA CB C 13 18.117 0.05 . 1 . . . . 88 ALA CB . 7322 1 1075 . 1 1 88 88 ALA N N 15 121.300 0.05 . 1 . . . . 88 ALA N . 7322 1 1076 . 1 1 89 89 ALA H H 1 7.549 0.02 . 1 . . . . 89 ALA H . 7322 1 1077 . 1 1 89 89 ALA HA H 1 4.330 0.02 . 1 . . . . 89 ALA HA . 7322 1 1078 . 1 1 89 89 ALA HB1 H 1 1.460 0.02 . 1 . . . . 89 ALA HB . 7322 1 1079 . 1 1 89 89 ALA HB2 H 1 1.460 0.02 . 1 . . . . 89 ALA HB . 7322 1 1080 . 1 1 89 89 ALA HB3 H 1 1.460 0.02 . 1 . . . . 89 ALA HB . 7322 1 1081 . 1 1 89 89 ALA C C 13 177.100 0.05 . 1 . . . . 89 ALA C . 7322 1 1082 . 1 1 89 89 ALA CA C 13 52.262 0.05 . 1 . . . . 89 ALA CA . 7322 1 1083 . 1 1 89 89 ALA CB C 13 20.406 0.05 . 1 . . . . 89 ALA CB . 7322 1 1084 . 1 1 89 89 ALA N N 15 119.800 0.05 . 1 . . . . 89 ALA N . 7322 1 1085 . 1 1 90 90 ASP H H 1 8.248 0.02 . 1 . . . . 90 ASP H . 7322 1 1086 . 1 1 90 90 ASP HA H 1 4.580 0.02 . 1 . . . . 90 ASP HA . 7322 1 1087 . 1 1 90 90 ASP HB2 H 1 2.536 0.02 . 2 . . . . 90 ASP HB2 . 7322 1 1088 . 1 1 90 90 ASP HB3 H 1 2.904 0.02 . 2 . . . . 90 ASP HB3 . 7322 1 1089 . 1 1 90 90 ASP C C 13 175.540 0.05 . 1 . . . . 90 ASP C . 7322 1 1090 . 1 1 90 90 ASP CA C 13 54.000 0.05 . 1 . . . . 90 ASP CA . 7322 1 1091 . 1 1 90 90 ASP CB C 13 39.902 0.05 . 1 . . . . 90 ASP CB . 7322 1 1092 . 1 1 90 90 ASP N N 15 118.600 0.05 . 1 . . . . 90 ASP N . 7322 1 1093 . 1 1 91 91 ASN H H 1 8.384 0.02 . 1 . . . . 91 ASN H . 7322 1 1094 . 1 1 91 91 ASN HA H 1 4.718 0.02 . 1 . . . . 91 ASN HA . 7322 1 1095 . 1 1 91 91 ASN HB2 H 1 2.656 0.02 . 2 . . . . 91 ASN HB2 . 7322 1 1096 . 1 1 91 91 ASN HB3 H 1 2.990 0.02 . 2 . . . . 91 ASN HB3 . 7322 1 1097 . 1 1 91 91 ASN HD21 H 1 7.703 0.02 . 2 . . . . 91 ASN HD21 . 7322 1 1098 . 1 1 91 91 ASN HD22 H 1 6.878 0.02 . 2 . . . . 91 ASN HD22 . 7322 1 1099 . 1 1 91 91 ASN C C 13 175.930 0.05 . 1 . . . . 91 ASN C . 7322 1 1100 . 1 1 91 91 ASN CA C 13 53.600 0.05 . 1 . . . . 91 ASN CA . 7322 1 1101 . 1 1 91 91 ASN CB C 13 39.682 0.05 . 1 . . . . 91 ASN CB . 7322 1 1102 . 1 1 91 91 ASN N N 15 120.000 0.05 . 1 . . . . 91 ASN N . 7322 1 1103 . 1 1 91 91 ASN ND2 N 15 113.100 0.05 . 1 . . . . 91 ASN ND2 . 7322 1 1104 . 1 1 92 92 ASP H H 1 8.695 0.02 . 1 . . . . 92 ASP H . 7322 1 1105 . 1 1 92 92 ASP HA H 1 4.544 0.02 . 1 . . . . 92 ASP HA . 7322 1 1106 . 1 1 92 92 ASP HB2 H 1 2.670 0.02 . 2 . . . . 92 ASP HB2 . 7322 1 1107 . 1 1 92 92 ASP HB3 H 1 2.770 0.02 . 2 . . . . 92 ASP HB3 . 7322 1 1108 . 1 1 92 92 ASP C C 13 176.710 0.05 . 1 . . . . 92 ASP C . 7322 1 1109 . 1 1 92 92 ASP CA C 13 54.800 0.05 . 1 . . . . 92 ASP CA . 7322 1 1110 . 1 1 92 92 ASP CB C 13 40.499 0.05 . 1 . . . . 92 ASP CB . 7322 1 1111 . 1 1 92 92 ASP N N 15 119.700 0.05 . 1 . . . . 92 ASP N . 7322 1 1112 . 1 1 93 93 GLY H H 1 8.231 0.02 . 1 . . . . 93 GLY H . 7322 1 1113 . 1 1 93 93 GLY HA2 H 1 3.890 0.02 . 2 . . . . 93 GLY HA2 . 7322 1 1114 . 1 1 93 93 GLY HA3 H 1 4.002 0.02 . 2 . . . . 93 GLY HA3 . 7322 1 1115 . 1 1 93 93 GLY C C 13 174.760 0.05 . 1 . . . . 93 GLY C . 7322 1 1116 . 1 1 93 93 GLY CA C 13 46.105 0.05 . 1 . . . . 93 GLY CA . 7322 1 1117 . 1 1 93 93 GLY N N 15 108.100 0.05 . 1 . . . . 93 GLY N . 7322 1 1118 . 1 1 94 94 ASP H H 1 8.185 0.02 . 1 . . . . 94 ASP H . 7322 1 1119 . 1 1 94 94 ASP HA H 1 4.511 0.02 . 1 . . . . 94 ASP HA . 7322 1 1120 . 1 1 94 94 ASP HB2 H 1 2.605 0.02 . 2 . . . . 94 ASP HB2 . 7322 1 1121 . 1 1 94 94 ASP HB3 H 1 2.772 0.02 . 2 . . . . 94 ASP HB3 . 7322 1 1122 . 1 1 94 94 ASP C C 13 177.100 0.05 . 1 . . . . 94 ASP C . 7322 1 1123 . 1 1 94 94 ASP CA C 13 54.019 0.05 . 1 . . . . 94 ASP CA . 7322 1 1124 . 1 1 94 94 ASP CB C 13 40.71 0.05 . 1 . . . . 94 ASP CB . 7322 1 1125 . 1 1 94 94 ASP N N 15 120.200 0.05 . 1 . . . . 94 ASP N . 7322 1 1126 . 1 1 95 95 GLY H H 1 8.752 0.02 . 1 . . . . 95 GLY H . 7322 1 1127 . 1 1 95 95 GLY HA2 H 1 3.765 0.02 . 2 . . . . 95 GLY HA2 . 7322 1 1128 . 1 1 95 95 GLY HA3 H 1 3.932 0.02 . 2 . . . . 95 GLY HA3 . 7322 1 1129 . 1 1 95 95 GLY C C 13 173.200 0.05 . 1 . . . . 95 GLY C . 7322 1 1130 . 1 1 95 95 GLY CA C 13 46.120 0.05 . 1 . . . . 95 GLY CA . 7322 1 1131 . 1 1 95 95 GLY N N 15 109.200 0.05 . 1 . . . . 95 GLY N . 7322 1 1132 . 1 1 96 96 LYS H H 1 7.701 0.02 . 1 . . . . 96 LYS H . 7322 1 1133 . 1 1 96 96 LYS HA H 1 4.818 0.02 . 1 . . . . 96 LYS HA . 7322 1 1134 . 1 1 96 96 LYS HB2 H 1 1.468 0.02 . 2 . . . . 96 LYS HB2 . 7322 1 1135 . 1 1 96 96 LYS HB3 H 1 1.508 0.02 . 2 . . . . 96 LYS HB3 . 7322 1 1136 . 1 1 96 96 LYS HG2 H 1 0.982 0.02 . 2 . . . . 96 LYS HG2 . 7322 1 1137 . 1 1 96 96 LYS HG3 H 1 1.049 0.02 . 2 . . . . 96 LYS HG3 . 7322 1 1138 . 1 1 96 96 LYS HD2 H 1 2.426 0.02 . 1 . . . . 96 LYS HD2 . 7322 1 1139 . 1 1 96 96 LYS HD3 H 1 2.426 0.02 . 1 . . . . 96 LYS HD3 . 7322 1 1140 . 1 1 96 96 LYS HE2 H 1 3.510 0.02 . 1 . . . . 96 LYS HE2 . 7322 1 1141 . 1 1 96 96 LYS HE3 H 1 3.510 0.02 . 1 . . . . 96 LYS HE3 . 7322 1 1142 . 1 1 96 96 LYS C C 13 175.540 0.05 . 1 . . . . 96 LYS C . 7322 1 1143 . 1 1 96 96 LYS CA C 13 54.870 0.05 . 1 . . . . 96 LYS CA . 7322 1 1144 . 1 1 96 96 LYS CB C 13 35.169 0.05 . 1 . . . . 96 LYS CB . 7322 1 1145 . 1 1 96 96 LYS CG C 13 24.216 0.05 . 1 . . . . 96 LYS CG . 7322 1 1146 . 1 1 96 96 LYS CD C 13 29.169 0.05 . 1 . . . . 96 LYS CD . 7322 1 1147 . 1 1 96 96 LYS CE C 13 41.912 0.05 . 1 . . . . 96 LYS CE . 7322 1 1148 . 1 1 96 96 LYS N N 15 117.300 0.05 . 1 . . . . 96 LYS N . 7322 1 1149 . 1 1 97 97 ILE H H 1 8.861 0.02 . 1 . . . . 97 ILE H . 7322 1 1150 . 1 1 97 97 ILE HA H 1 4.369 0.02 . 1 . . . . 97 ILE HA . 7322 1 1151 . 1 1 97 97 ILE HB H 1 1.967 0.02 . 1 . . . . 97 ILE HB . 7322 1 1152 . 1 1 97 97 ILE HG12 H 1 1.656 0.02 . 2 . . . . 97 ILE HG12 . 7322 1 1153 . 1 1 97 97 ILE HG13 H 1 0.950 0.02 . 2 . . . . 97 ILE HG13 . 7322 1 1154 . 1 1 97 97 ILE HG21 H 1 1.107 0.02 . 1 . . . . 97 ILE HG2 . 7322 1 1155 . 1 1 97 97 ILE HG22 H 1 1.107 0.02 . 1 . . . . 97 ILE HG2 . 7322 1 1156 . 1 1 97 97 ILE HG23 H 1 1.107 0.02 . 1 . . . . 97 ILE HG2 . 7322 1 1157 . 1 1 97 97 ILE HD11 H 1 0.823 0.02 . 1 . . . . 97 ILE HD1 . 7322 1 1158 . 1 1 97 97 ILE HD12 H 1 0.823 0.02 . 1 . . . . 97 ILE HD1 . 7322 1 1159 . 1 1 97 97 ILE HD13 H 1 0.823 0.02 . 1 . . . . 97 ILE HD1 . 7322 1 1160 . 1 1 97 97 ILE C C 13 175.540 0.05 . 1 . . . . 97 ILE C . 7322 1 1161 . 1 1 97 97 ILE CA C 13 61.41 0.05 . 1 . . . . 97 ILE CA . 7322 1 1162 . 1 1 97 97 ILE CB C 13 40.272 0.05 . 1 . . . . 97 ILE CB . 7322 1 1163 . 1 1 97 97 ILE CG1 C 13 26.800 0.05 . 1 . . . . 97 ILE CG1 . 7322 1 1164 . 1 1 97 97 ILE CG2 C 13 17.820 0.05 . 1 . . . . 97 ILE CG2 . 7322 1 1165 . 1 1 97 97 ILE CD1 C 13 14.200 0.05 . 1 . . . . 97 ILE CD1 . 7322 1 1166 . 1 1 97 97 ILE N N 15 121.000 0.05 . 1 . . . . 97 ILE N . 7322 1 1167 . 1 1 98 98 GLY H H 1 8.700 0.02 . 1 . . . . 98 GLY H . 7322 1 1168 . 1 1 98 98 GLY HA2 H 1 3.771 0.02 . 2 . . . . 98 GLY HA2 . 7322 1 1169 . 1 1 98 98 GLY HA3 H 1 4.790 0.02 . 2 . . . . 98 GLY HA3 . 7322 1 1170 . 1 1 98 98 GLY C C 13 175.540 0.05 . 1 . . . . 98 GLY C . 7322 1 1171 . 1 1 98 98 GLY CA C 13 44.227 0.05 . 1 . . . . 98 GLY CA . 7322 1 1172 . 1 1 98 98 GLY N N 15 115.900 0.05 . 1 . . . . 98 GLY N . 7322 1 1173 . 1 1 99 99 ALA H H 1 7.984 0.02 . 1 . . . . 99 ALA H . 7322 1 1174 . 1 1 99 99 ALA HA H 1 2.513 0.02 . 1 . . . . 99 ALA HA . 7322 1 1175 . 1 1 99 99 ALA HB1 H 1 0.948 0.02 . 1 . . . . 99 ALA HB . 7322 1 1176 . 1 1 99 99 ALA HB2 H 1 0.948 0.02 . 1 . . . . 99 ALA HB . 7322 1 1177 . 1 1 99 99 ALA HB3 H 1 0.948 0.02 . 1 . . . . 99 ALA HB . 7322 1 1178 . 1 1 99 99 ALA C C 13 180.230 0.05 . 1 . . . . 99 ALA C . 7322 1 1179 . 1 1 99 99 ALA CA C 13 55.489 0.05 . 1 . . . . 99 ALA CA . 7322 1 1180 . 1 1 99 99 ALA CB C 13 18.513 0.05 . 1 . . . . 99 ALA CB . 7322 1 1181 . 1 1 99 99 ALA N N 15 122.600 0.05 . 1 . . . . 99 ALA N . 7322 1 1182 . 1 1 100 100 ASP H H 1 8.480 0.02 . 1 . . . . 100 ASP H . 7322 1 1183 . 1 1 100 100 ASP HA H 1 4.285 0.02 . 1 . . . . 100 ASP HA . 7322 1 1184 . 1 1 100 100 ASP HB2 H 1 2.607 0.02 . 2 . . . . 100 ASP HB2 . 7322 1 1185 . 1 1 100 100 ASP HB3 H 1 2.513 0.02 . 2 . . . . 100 ASP HB3 . 7322 1 1186 . 1 1 100 100 ASP C C 13 179.060 0.05 . 1 . . . . 100 ASP C . 7322 1 1187 . 1 1 100 100 ASP CA C 13 57.305 0.05 . 1 . . . . 100 ASP CA . 7322 1 1188 . 1 1 100 100 ASP CB C 13 39.627 0.05 . 1 . . . . 100 ASP CB . 7322 1 1189 . 1 1 100 100 ASP N N 15 116.800 0.05 . 1 . . . . 100 ASP N . 7322 1 1190 . 1 1 101 101 GLU H H 1 7.945 0.02 . 1 . . . . 101 GLU H . 7322 1 1191 . 1 1 101 101 GLU HA H 1 4.085 0.02 . 1 . . . . 101 GLU HA . 7322 1 1192 . 1 1 101 101 GLU HB2 H 1 2.033 0.02 . 2 . . . . 101 GLU HB2 . 7322 1 1193 . 1 1 101 101 GLU HB3 H 1 2.424 0.02 . 2 . . . . 101 GLU HB3 . 7322 1 1194 . 1 1 101 101 GLU HG2 H 1 2.346 0.02 . 2 . . . . 101 GLU HG2 . 7322 1 1195 . 1 1 101 101 GLU HG3 H 1 2.667 0.02 . 2 . . . . 101 GLU HG3 . 7322 1 1196 . 1 1 101 101 GLU C C 13 179.450 0.05 . 1 . . . . 101 GLU C . 7322 1 1197 . 1 1 101 101 GLU CA C 13 59.892 0.05 . 1 . . . . 101 GLU CA . 7322 1 1198 . 1 1 101 101 GLU CB C 13 29.154 0.05 . 1 . . . . 101 GLU CB . 7322 1 1199 . 1 1 101 101 GLU CG C 13 37.67 0.05 . 1 . . . . 101 GLU CG . 7322 1 1200 . 1 1 101 101 GLU N N 15 120.900 0.05 . 1 . . . . 101 GLU N . 7322 1 1201 . 1 1 102 102 PHE H H 1 8.736 0.02 . 1 . . . . 102 PHE H . 7322 1 1202 . 1 1 102 102 PHE HA H 1 4.149 0.02 . 1 . . . . 102 PHE HA . 7322 1 1203 . 1 1 102 102 PHE HB2 H 1 2.960 0.02 . 1 . . . . 102 PHE HB2 . 7322 1 1204 . 1 1 102 102 PHE HB3 H 1 2.960 0.02 . 1 . . . . 102 PHE HB3 . 7322 1 1205 . 1 1 102 102 PHE HD1 H 1 7.182 0.02 . 1 . . . . 102 PHE HD1 . 7322 1 1206 . 1 1 102 102 PHE HD2 H 1 7.182 0.02 . 1 . . . . 102 PHE HD2 . 7322 1 1207 . 1 1 102 102 PHE HE1 H 1 7.298 0.02 . 1 . . . . 102 PHE HE1 . 7322 1 1208 . 1 1 102 102 PHE HE2 H 1 7.298 0.02 . 1 . . . . 102 PHE HE2 . 7322 1 1209 . 1 1 102 102 PHE C C 13 175.930 0.05 . 1 . . . . 102 PHE C . 7322 1 1210 . 1 1 102 102 PHE CA C 13 61.396 0.05 . 1 . . . . 102 PHE CA . 7322 1 1211 . 1 1 102 102 PHE CB C 13 40.056 0.05 . 1 . . . . 102 PHE CB . 7322 1 1212 . 1 1 102 102 PHE CE1 C 13 130.7 0.05 . 1 . . . . 102 PHE CE1 . 7322 1 1213 . 1 1 102 102 PHE CE2 C 13 130.7 0.05 . 1 . . . . 102 PHE CE2 . 7322 1 1214 . 1 1 102 102 PHE N N 15 121.800 0.05 . 1 . . . . 102 PHE N . 7322 1 1215 . 1 1 103 103 GLN H H 1 7.936 0.02 . 1 . . . . 103 GLN H . 7322 1 1216 . 1 1 103 103 GLN HA H 1 3.706 0.02 . 1 . . . . 103 GLN HA . 7322 1 1217 . 1 1 103 103 GLN HB2 H 1 2.124 0.02 . 2 . . . . 103 GLN HB2 . 7322 1 1218 . 1 1 103 103 GLN HB3 H 1 2.246 0.02 . 2 . . . . 103 GLN HB3 . 7322 1 1219 . 1 1 103 103 GLN HG2 H 1 2.302 0.02 . 2 . . . . 103 GLN HG2 . 7322 1 1220 . 1 1 103 103 GLN HG3 H 1 2.420 0.02 . 2 . . . . 103 GLN HG3 . 7322 1 1221 . 1 1 103 103 GLN HE21 H 1 7.522 0.02 . 2 . . . . 103 GLN HE21 . 7322 1 1222 . 1 1 103 103 GLN HE22 H 1 6.866 0.02 . 2 . . . . 103 GLN HE22 . 7322 1 1223 . 1 1 103 103 GLN C C 13 177.490 0.05 . 1 . . . . 103 GLN C . 7322 1 1224 . 1 1 103 103 GLN CA C 13 59.256 0.05 . 1 . . . . 103 GLN CA . 7322 1 1225 . 1 1 103 103 GLN CB C 13 27.740 0.05 . 1 . . . . 103 GLN CB . 7322 1 1226 . 1 1 103 103 GLN CG C 13 33.787 0.05 . 1 . . . . 103 GLN CG . 7322 1 1227 . 1 1 103 103 GLN N N 15 116.700 0.05 . 1 . . . . 103 GLN N . 7322 1 1228 . 1 1 103 103 GLN NE2 N 15 110.300 0.05 . 1 . . . . 103 GLN NE2 . 7322 1 1229 . 1 1 104 104 GLU H H 1 7.529 0.02 . 1 . . . . 104 GLU H . 7322 1 1230 . 1 1 104 104 GLU HA H 1 3.996 0.02 . 1 . . . . 104 GLU HA . 7322 1 1231 . 1 1 104 104 GLU HB2 H 1 2.048 0.02 . 1 . . . . 104 GLU HB2 . 7322 1 1232 . 1 1 104 104 GLU HB3 H 1 2.048 0.02 . 1 . . . . 104 GLU HB3 . 7322 1 1233 . 1 1 104 104 GLU HG2 H 1 2.370 0.02 . 2 . . . . 104 GLU HG2 . 7322 1 1234 . 1 1 104 104 GLU HG3 H 1 2.316 0.02 . 2 . . . . 104 GLU HG3 . 7322 1 1235 . 1 1 104 104 GLU C C 13 179.060 0.05 . 1 . . . . 104 GLU C . 7322 1 1236 . 1 1 104 104 GLU CA C 13 58.505 0.05 . 1 . . . . 104 GLU CA . 7322 1 1237 . 1 1 104 104 GLU CB C 13 29.192 0.05 . 1 . . . . 104 GLU CB . 7322 1 1238 . 1 1 104 104 GLU CG C 13 35.460 0.05 . 1 . . . . 104 GLU CG . 7322 1 1239 . 1 1 104 104 GLU N N 15 116.900 0.05 . 1 . . . . 104 GLU N . 7322 1 1240 . 1 1 105 105 MET H H 1 8.040 0.02 . 1 . . . . 105 MET H . 7322 1 1241 . 1 1 105 105 MET HA H 1 4.089 0.02 . 1 . . . . 105 MET HA . 7322 1 1242 . 1 1 105 105 MET HB2 H 1 2.038 0.02 . 1 . . . . 105 MET HB2 . 7322 1 1243 . 1 1 105 105 MET HB3 H 1 2.038 0.02 . 1 . . . . 105 MET HB3 . 7322 1 1244 . 1 1 105 105 MET HG2 H 1 2.228 0.02 . 2 . . . . 105 MET HG2 . 7322 1 1245 . 1 1 105 105 MET HG3 H 1 2.515 0.02 . 2 . . . . 105 MET HG3 . 7322 1 1246 . 1 1 105 105 MET HE1 H 1 1.975 0.02 . 1 . . . . 105 MET HE . 7322 1 1247 . 1 1 105 105 MET HE2 H 1 1.975 0.02 . 1 . . . . 105 MET HE . 7322 1 1248 . 1 1 105 105 MET HE3 H 1 1.975 0.02 . 1 . . . . 105 MET HE . 7322 1 1249 . 1 1 105 105 MET C C 13 177.880 0.05 . 1 . . . . 105 MET C . 7322 1 1250 . 1 1 105 105 MET CA C 13 58.523 0.05 . 1 . . . . 105 MET CA . 7322 1 1251 . 1 1 105 105 MET CB C 13 32.939 0.05 . 1 . . . . 105 MET CB . 7322 1 1252 . 1 1 105 105 MET CG C 13 30.614 0.05 . 1 . . . . 105 MET CG . 7322 1 1253 . 1 1 105 105 MET CE C 13 16.750 0.05 . 1 . . . . 105 MET CE . 7322 1 1254 . 1 1 105 105 MET N N 15 118.600 0.05 . 1 . . . . 105 MET N . 7322 1 1255 . 1 1 106 106 VAL H H 1 7.167 0.02 . 1 . . . . 106 VAL H . 7322 1 1256 . 1 1 106 106 VAL HA H 1 3.099 0.02 . 1 . . . . 106 VAL HA . 7322 1 1257 . 1 1 106 106 VAL HB H 1 1.323 0.02 . 1 . . . . 106 VAL HB . 7322 1 1258 . 1 1 106 106 VAL HG11 H 1 -0.110 0.02 . 2 . . . . 106 VAL HG1 . 7322 1 1259 . 1 1 106 106 VAL HG12 H 1 -0.110 0.02 . 2 . . . . 106 VAL HG1 . 7322 1 1260 . 1 1 106 106 VAL HG13 H 1 -0.110 0.02 . 2 . . . . 106 VAL HG1 . 7322 1 1261 . 1 1 106 106 VAL HG21 H 1 -0.320 0.02 . 2 . . . . 106 VAL HG2 . 7322 1 1262 . 1 1 106 106 VAL HG22 H 1 -0.320 0.02 . 2 . . . . 106 VAL HG2 . 7322 1 1263 . 1 1 106 106 VAL HG23 H 1 -0.320 0.02 . 2 . . . . 106 VAL HG2 . 7322 1 1264 . 1 1 106 106 VAL C C 13 175.930 0.05 . 1 . . . . 106 VAL C . 7322 1 1265 . 1 1 106 106 VAL CA C 13 63.297 0.05 . 1 . . . . 106 VAL CA . 7322 1 1266 . 1 1 106 106 VAL CB C 13 30.885 0.05 . 1 . . . . 106 VAL CB . 7322 1 1267 . 1 1 106 106 VAL CG1 C 13 19.51 0.05 . 1 . . . . 106 VAL CG1 . 7322 1 1268 . 1 1 106 106 VAL CG2 C 13 21.09 0.05 . 1 . . . . 106 VAL CG2 . 7322 1 1269 . 1 1 106 106 VAL N N 15 113.000 0.05 . 1 . . . . 106 VAL N . 7322 1 1270 . 1 1 107 107 HIS H H 1 7.065 0.02 . 1 . . . . 107 HIS H . 7322 1 1271 . 1 1 107 107 HIS HA H 1 4.814 0.02 . 1 . . . . 107 HIS HA . 7322 1 1272 . 1 1 107 107 HIS HB2 H 1 3.065 0.02 . 2 . . . . 107 HIS HB2 . 7322 1 1273 . 1 1 107 107 HIS HB3 H 1 3.424 0.02 . 2 . . . . 107 HIS HB3 . 7322 1 1274 . 1 1 107 107 HIS HD2 H 1 7.427 0.02 . 1 . . . . 107 HIS HD2 . 7322 1 1275 . 1 1 107 107 HIS C C 13 173.590 0.05 . 1 . . . . 107 HIS C . 7322 1 1276 . 1 1 107 107 HIS CA C 13 55.177 0.05 . 1 . . . . 107 HIS CA . 7322 1 1277 . 1 1 107 107 HIS CB C 13 29.285 0.05 . 1 . . . . 107 HIS CB . 7322 1 1278 . 1 1 107 107 HIS CD2 C 13 120.000 0.05 . 1 . . . . 107 HIS CD2 . 7322 1 1279 . 1 1 107 107 HIS N N 15 116.600 0.05 . 1 . . . . 107 HIS N . 7322 1 1280 . 1 1 108 108 SER H H 1 7.596 0.02 . 1 . . . . 108 SER H . 7322 1 1281 . 1 1 108 108 SER HA H 1 4.25 0.02 . 1 . . . . 108 SER HA . 7322 1 1282 . 1 1 108 108 SER HB2 H 1 3.938 0.02 . 1 . . . . 108 SER HB2 . 7322 1 1283 . 1 1 108 108 SER HB3 H 1 3.938 0.02 . 1 . . . . 108 SER HB3 . 7322 1 1284 . 1 1 108 108 SER C C 13 179.060 0.05 . 1 . . . . 108 SER C . 7322 1 1285 . 1 1 108 108 SER CA C 13 60.78 0.05 . 1 . . . . 108 SER CA . 7322 1 1286 . 1 1 108 108 SER CB C 13 64.87 0.05 . 1 . . . . 108 SER CB . 7322 1 1287 . 1 1 108 108 SER N N 15 122.200 0.05 . 1 . . . . 108 SER N . 7322 1 stop_ save_