data_16398 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16398 _Entry.Title ; 1H, 13C and 15N Chemical Shift Assignment for the Psb27 Protein of Synechocystis PCC 6803 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-07-08 _Entry.Accession_date 2009-07-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kai Cormann . . . 16398 2 Marc Nowaczyk . . . 16398 3 Masahiko Ikeuchi . . . 16398 4 Matthias Roegner . . . 16398 5 Raphael Stoll . . . 16398 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16398 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 379 16398 '15N chemical shifts' 121 16398 '1H chemical shifts' 614 16398 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-11-25 2009-07-08 update BMRB 'complete entry citation' 16398 1 . . 2009-11-16 2009-07-08 original author 'original release' 16398 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16398 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19789994 _Citation.Full_citation . _Citation.Title 'Sequence-specific (1)H, (13)C, and (15)N backbone assignment of Psb27 from Synechocystis PCC 6803.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol NMR Assign' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 3 _Citation.Journal_issue 2 _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 247 _Citation.Page_last 249 _Citation.Year 2009 _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 Kai Cormann . U. . 16398 1 2 Masahiko Ikeuchi . . . 16398 1 3 Matthias Rogner . . . 16398 1 4 Marc Nowaczyk . M. . 16398 1 5 Raphael Stoll . . . 16398 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR resonance assignment' 16398 1 'Photosystem II' 16398 1 Psb27 16398 1 'Synechocystis PCC 6803' 16398 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16398 _Assembly.ID 1 _Assembly.Name Psb27 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Psb27 1 $Psb27 A . yes native no no . . . 16398 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Psb27 _Entity.Sf_category entity _Entity.Sf_framecode Psb27 _Entity.Entry_ID 16398 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Psb27 _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 ; CDSGTGLTGNYSQDTLTVIA TLREAIDLPQDAPNRQEVQD TARGQINDYISRYRRKGDAG GLKSFTTMQTALNSLAGYYT SYGARPIPEKLKKRLQLEFT QAERSIERGV ; _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KMF . "Solution Structure Of Psb27 From Cyanobacterial Photosystem Ii" . . . . . 100.00 115 100.00 100.00 1.15e-72 . . . . 16398 1 2 no PDB 2KND . "Psb27 Structure From Synechocystis" . . . . . 100.00 110 100.00 100.00 7.39e-73 . . . . 16398 1 3 no DBJ BAA11640 . "11 kDa protein of photosystem II [Synechocystis sp. PCC 6803]" . . . . . 100.00 134 100.00 100.00 2.25e-73 . . . . 16398 1 4 no DBJ BAA18462 . "photosystem II 11 kD protein [Synechocystis sp. PCC 6803]" . . . . . 100.00 135 100.00 100.00 1.99e-73 . . . . 16398 1 5 no DBJ BAK50636 . "photosystem II 11 kD protein [Synechocystis sp. PCC 6803]" . . . . . 100.00 135 100.00 100.00 1.99e-73 . . . . 16398 1 6 no DBJ BAL29634 . "photosystem II 11 kD protein [Synechocystis sp. PCC 6803 substr. GT-I]" . . . . . 100.00 135 100.00 100.00 1.99e-73 . . . . 16398 1 7 no DBJ BAL32803 . "photosystem II 11 kD protein [Synechocystis sp. PCC 6803 substr. PCC-N]" . . . . . 100.00 135 100.00 100.00 1.99e-73 . . . . 16398 1 8 no GB AGF52149 . "photosystem II 11 kD protein [Synechocystis sp. PCC 6803]" . . . . . 100.00 135 100.00 100.00 1.99e-73 . . . . 16398 1 9 no GB ALJ68102 . "Photosystem II protein [Synechocystis sp. PCC 6803]" . . . . . 100.00 134 100.00 100.00 2.25e-73 . . . . 16398 1 10 no REF WP_041425825 . "photosystem II lipoprotein Psb27 [Synechocystis sp. PCC 6803]" . . . . . 100.00 134 100.00 100.00 2.25e-73 . . . . 16398 1 11 no SP P74367 . "RecName: Full=Photosystem II lipoprotein Psb27; AltName: Full=Photosystem II 11 kDa protein; Flags: Precursor" . . . . . 100.00 134 100.00 100.00 2.25e-73 . . . . 16398 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 . CYS . 16398 1 2 . ASP . 16398 1 3 . SER . 16398 1 4 . GLY . 16398 1 5 . THR . 16398 1 6 . GLY . 16398 1 7 . LEU . 16398 1 8 . THR . 16398 1 9 . GLY . 16398 1 10 . ASN . 16398 1 11 . TYR . 16398 1 12 . SER . 16398 1 13 . GLN . 16398 1 14 . ASP . 16398 1 15 . THR . 16398 1 16 . LEU . 16398 1 17 . THR . 16398 1 18 . VAL . 16398 1 19 . ILE . 16398 1 20 . ALA . 16398 1 21 . THR . 16398 1 22 . LEU . 16398 1 23 . ARG . 16398 1 24 . GLU . 16398 1 25 . ALA . 16398 1 26 . ILE . 16398 1 27 . ASP . 16398 1 28 . LEU . 16398 1 29 . PRO . 16398 1 30 . GLN . 16398 1 31 . ASP . 16398 1 32 . ALA . 16398 1 33 . PRO . 16398 1 34 . ASN . 16398 1 35 . ARG . 16398 1 36 . GLN . 16398 1 37 . GLU . 16398 1 38 . VAL . 16398 1 39 . GLN . 16398 1 40 . ASP . 16398 1 41 . THR . 16398 1 42 . ALA . 16398 1 43 . ARG . 16398 1 44 . GLY . 16398 1 45 . GLN . 16398 1 46 . ILE . 16398 1 47 . ASN . 16398 1 48 . ASP . 16398 1 49 . TYR . 16398 1 50 . ILE . 16398 1 51 . SER . 16398 1 52 . ARG . 16398 1 53 . TYR . 16398 1 54 . ARG . 16398 1 55 . ARG . 16398 1 56 . LYS . 16398 1 57 . GLY . 16398 1 58 . ASP . 16398 1 59 . ALA . 16398 1 60 . GLY . 16398 1 61 . GLY . 16398 1 62 . LEU . 16398 1 63 . LYS . 16398 1 64 . SER . 16398 1 65 . PHE . 16398 1 66 . THR . 16398 1 67 . THR . 16398 1 68 . MET . 16398 1 69 . GLN . 16398 1 70 . THR . 16398 1 71 . ALA . 16398 1 72 . LEU . 16398 1 73 . ASN . 16398 1 74 . SER . 16398 1 75 . LEU . 16398 1 76 . ALA . 16398 1 77 . GLY . 16398 1 78 . TYR . 16398 1 79 . TYR . 16398 1 80 . THR . 16398 1 81 . SER . 16398 1 82 . TYR . 16398 1 83 . GLY . 16398 1 84 . ALA . 16398 1 85 . ARG . 16398 1 86 . PRO . 16398 1 87 . ILE . 16398 1 88 . PRO . 16398 1 89 . GLU . 16398 1 90 . LYS . 16398 1 91 . LEU . 16398 1 92 . LYS . 16398 1 93 . LYS . 16398 1 94 . ARG . 16398 1 95 . LEU . 16398 1 96 . GLN . 16398 1 97 . LEU . 16398 1 98 . GLU . 16398 1 99 . PHE . 16398 1 100 . THR . 16398 1 101 . GLN . 16398 1 102 . ALA . 16398 1 103 . GLU . 16398 1 104 . ARG . 16398 1 105 . SER . 16398 1 106 . ILE . 16398 1 107 . GLU . 16398 1 108 . ARG . 16398 1 109 . GLY . 16398 1 110 . VAL . 16398 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 . CYS 1 1 16398 1 . ASP 2 2 16398 1 . SER 3 3 16398 1 . GLY 4 4 16398 1 . THR 5 5 16398 1 . GLY 6 6 16398 1 . LEU 7 7 16398 1 . THR 8 8 16398 1 . GLY 9 9 16398 1 . ASN 10 10 16398 1 . TYR 11 11 16398 1 . SER 12 12 16398 1 . GLN 13 13 16398 1 . ASP 14 14 16398 1 . THR 15 15 16398 1 . LEU 16 16 16398 1 . THR 17 17 16398 1 . VAL 18 18 16398 1 . ILE 19 19 16398 1 . ALA 20 20 16398 1 . THR 21 21 16398 1 . LEU 22 22 16398 1 . ARG 23 23 16398 1 . GLU 24 24 16398 1 . ALA 25 25 16398 1 . ILE 26 26 16398 1 . ASP 27 27 16398 1 . LEU 28 28 16398 1 . PRO 29 29 16398 1 . GLN 30 30 16398 1 . ASP 31 31 16398 1 . ALA 32 32 16398 1 . PRO 33 33 16398 1 . ASN 34 34 16398 1 . ARG 35 35 16398 1 . GLN 36 36 16398 1 . GLU 37 37 16398 1 . VAL 38 38 16398 1 . GLN 39 39 16398 1 . ASP 40 40 16398 1 . THR 41 41 16398 1 . ALA 42 42 16398 1 . ARG 43 43 16398 1 . GLY 44 44 16398 1 . GLN 45 45 16398 1 . ILE 46 46 16398 1 . ASN 47 47 16398 1 . ASP 48 48 16398 1 . TYR 49 49 16398 1 . ILE 50 50 16398 1 . SER 51 51 16398 1 . ARG 52 52 16398 1 . TYR 53 53 16398 1 . ARG 54 54 16398 1 . ARG 55 55 16398 1 . LYS 56 56 16398 1 . GLY 57 57 16398 1 . ASP 58 58 16398 1 . ALA 59 59 16398 1 . GLY 60 60 16398 1 . GLY 61 61 16398 1 . LEU 62 62 16398 1 . LYS 63 63 16398 1 . SER 64 64 16398 1 . PHE 65 65 16398 1 . THR 66 66 16398 1 . THR 67 67 16398 1 . MET 68 68 16398 1 . GLN 69 69 16398 1 . THR 70 70 16398 1 . ALA 71 71 16398 1 . LEU 72 72 16398 1 . ASN 73 73 16398 1 . SER 74 74 16398 1 . LEU 75 75 16398 1 . ALA 76 76 16398 1 . GLY 77 77 16398 1 . TYR 78 78 16398 1 . TYR 79 79 16398 1 . THR 80 80 16398 1 . SER 81 81 16398 1 . TYR 82 82 16398 1 . GLY 83 83 16398 1 . ALA 84 84 16398 1 . ARG 85 85 16398 1 . PRO 86 86 16398 1 . ILE 87 87 16398 1 . PRO 88 88 16398 1 . GLU 89 89 16398 1 . LYS 90 90 16398 1 . LEU 91 91 16398 1 . LYS 92 92 16398 1 . LYS 93 93 16398 1 . ARG 94 94 16398 1 . LEU 95 95 16398 1 . GLN 96 96 16398 1 . LEU 97 97 16398 1 . GLU 98 98 16398 1 . PHE 99 99 16398 1 . THR 100 100 16398 1 . GLN 101 101 16398 1 . ALA 102 102 16398 1 . GLU 103 103 16398 1 . ARG 104 104 16398 1 . SER 105 105 16398 1 . ILE 106 106 16398 1 . GLU 107 107 16398 1 . ARG 108 108 16398 1 . GLY 109 109 16398 1 . VAL 110 110 16398 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 16398 _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 $Psb27 . 1148 organism . 'Synechocystis sp. PCC 6803' 'Synechocystis sp. PCC 6803' . . Bacteria . Synechocystis 'sp. PCC 6803' . . . . . . . . . . . . . . . . . . . . . 16398 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 16398 _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 $Psb27 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET3xb (Novagen)' . . . . . . 16398 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16398 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Psb27 [U-15N] . . 1 $Psb27 . . 1.0 . . mM . . . . 16398 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16398 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16398 1 4 'sodium phosphate buffer, pH 6.5' 'natural abundance' . . . . . . 20 . . mM . . . . 16398 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16398 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Psb27 '[U-13C; U-15N]' . . 1 $Psb27 . . 0.9 . . mM . . . . 16398 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16398 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16398 2 4 'sodium phosphate buffer, pH 6.5' 'natural abundance' . . . . . . 20 . . mM . . . . 16398 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16398 _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' 40 . mM 16398 1 pH 6.5 . pH 16398 1 pressure 1 . atm 16398 1 temperature 298 . K 16398 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16398 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16398 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16398 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16398 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16398 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16398 2 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 16398 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16398 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 16398 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16398 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16398 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16398 1 3 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16398 1 4 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16398 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16398 1 6 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16398 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16398 1 8 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16398 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16398 1 10 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16398 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16398 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16398 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16398 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16398 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16398 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16398 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16398 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16398 1 2 '3D 1H-15N NOESY' . . . 16398 1 3 '3D HNHA' . . . 16398 1 4 '3D HNHB' . . . 16398 1 5 '2D 1H-13C HSQC' . . . 16398 1 6 '3D HNCA' . . . 16398 1 7 '3D CBCA(CO)NH' . . . 16398 1 8 '3D HNCO' . . . 16398 1 9 '3D HBHA(CO)NH' . . . 16398 1 10 '3D HCCH-COSY' . . . 16398 1 11 '3D HCCH-TOCSY' . . . 16398 1 12 '3D 1H-13C NOESY' . . . 16398 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 CYS HA H 1 4.390 0.02 . 1 . . . . 1 C HA . 16398 1 2 . 1 1 1 1 CYS HB2 H 1 3.225 0.02 . 2 . . . . 1 C HB1 . 16398 1 3 . 1 1 1 1 CYS HB3 H 1 3.100 0.02 . 2 . . . . 1 C HB2 . 16398 1 4 . 1 1 1 1 CYS C C 13 176.953 0.04 . 1 . . . . 1 C C . 16398 1 5 . 1 1 1 1 CYS CA C 13 67.095 0.04 . 1 . . . . 1 C CA . 16398 1 6 . 1 1 1 1 CYS CB C 13 37.354 0.04 . 1 . . . . 1 C CB . 16398 1 7 . 1 1 2 2 ASP H H 1 8.644 0.02 . 1 . . . . 2 D HN . 16398 1 8 . 1 1 2 2 ASP HA H 1 4.373 0.02 . 1 . . . . 2 D HA . 16398 1 9 . 1 1 2 2 ASP HB2 H 1 2.765 0.02 . 2 . . . . 2 D HB1 . 16398 1 10 . 1 1 2 2 ASP HB3 H 1 2.701 0.02 . 2 . . . . 2 D HB2 . 16398 1 11 . 1 1 2 2 ASP C C 13 178.938 0.04 . 1 . . . . 2 D C . 16398 1 12 . 1 1 2 2 ASP CA C 13 53.794 0.04 . 1 . . . . 2 D CA . 16398 1 13 . 1 1 2 2 ASP CB C 13 41.025 0.04 . 1 . . . . 2 D CB . 16398 1 14 . 1 1 2 2 ASP N N 15 122.106 0.04 . 1 . . . . 2 D N . 16398 1 15 . 1 1 3 3 SER H H 1 8.508 0.02 . 1 . . . . 3 S HN . 16398 1 16 . 1 1 3 3 SER HA H 1 4.331 0.02 . 1 . . . . 3 S HA . 16398 1 17 . 1 1 3 3 SER HB2 H 1 3.962 0.02 . 2 . . . . 3 S HB1 . 16398 1 18 . 1 1 3 3 SER HB3 H 1 3.894 0.02 . 2 . . . . 3 S HB2 . 16398 1 19 . 1 1 3 3 SER C C 13 174.777 0.04 . 1 . . . . 3 S C . 16398 1 20 . 1 1 3 3 SER CA C 13 58.141 0.04 . 1 . . . . 3 S CA . 16398 1 21 . 1 1 3 3 SER CB C 13 63.359 0.04 . 1 . . . . 3 S CB . 16398 1 22 . 1 1 3 3 SER N N 15 117.604 0.04 . 1 . . . . 3 S N . 16398 1 23 . 1 1 4 4 GLY H H 1 8.603 0.02 . 1 . . . . 4 G HN . 16398 1 24 . 1 1 4 4 GLY HA2 H 1 4.130 0.02 . 2 . . . . 4 G HA1 . 16398 1 25 . 1 1 4 4 GLY HA3 H 1 4.076 0.02 . 2 . . . . 4 G HA2 . 16398 1 26 . 1 1 4 4 GLY C C 13 174.283 0.04 . 1 . . . . 4 G C . 16398 1 27 . 1 1 4 4 GLY CA C 13 45.054 0.04 . 1 . . . . 4 G CA . 16398 1 28 . 1 1 4 4 GLY N N 15 111.842 0.04 . 1 . . . . 4 G N . 16398 1 29 . 1 1 5 5 THR H H 1 8.140 0.02 . 1 . . . . 5 T HN . 16398 1 30 . 1 1 5 5 THR HA H 1 4.371 0.02 . 1 . . . . 5 T HA . 16398 1 31 . 1 1 5 5 THR HB H 1 4.351 0.02 . 1 . . . . 5 T HB . 16398 1 32 . 1 1 5 5 THR HG21 H 1 1.228 0.02 . 1 . . . . 5 T HG21 . 16398 1 33 . 1 1 5 5 THR HG22 H 1 1.228 0.02 . 1 . . . . 5 T HG21 . 16398 1 34 . 1 1 5 5 THR HG23 H 1 1.228 0.02 . 1 . . . . 5 T HG21 . 16398 1 35 . 1 1 5 5 THR C C 13 174.827 0.04 . 1 . . . . 5 T C . 16398 1 36 . 1 1 5 5 THR CA C 13 61.515 0.04 . 1 . . . . 5 T CA . 16398 1 37 . 1 1 5 5 THR CB C 13 69.683 0.04 . 1 . . . . 5 T CB . 16398 1 38 . 1 1 5 5 THR CG2 C 13 21.147 0.04 . 1 . . . . 5 T CG2 . 16398 1 39 . 1 1 5 5 THR N N 15 112.188 0.04 . 1 . . . . 5 T N . 16398 1 40 . 1 1 6 6 GLY H H 1 8.425 0.02 . 1 . . . . 6 G HN . 16398 1 41 . 1 1 6 6 GLY HA2 H 1 4.109 0.02 . 2 . . . . 6 G HA1 . 16398 1 42 . 1 1 6 6 GLY HA3 H 1 3.875 0.02 . 2 . . . . 6 G HA2 . 16398 1 43 . 1 1 6 6 GLY C C 13 173.670 0.04 . 1 . . . . 6 G C . 16398 1 44 . 1 1 6 6 GLY CA C 13 44.466 0.04 . 1 . . . . 6 G CA . 16398 1 45 . 1 1 6 6 GLY N N 15 110.955 0.04 . 1 . . . . 6 G N . 16398 1 46 . 1 1 7 7 LEU H H 1 7.993 0.02 . 1 . . . . 7 L HN . 16398 1 47 . 1 1 7 7 LEU HA H 1 4.503 0.02 . 1 . . . . 7 L HA . 16398 1 48 . 1 1 7 7 LEU HB2 H 1 1.708 0.02 . 2 . . . . 7 L HB1 . 16398 1 49 . 1 1 7 7 LEU HD11 H 1 0.937 0.02 . 2 . . . . 7 L HD11 . 16398 1 50 . 1 1 7 7 LEU HD12 H 1 0.937 0.02 . 2 . . . . 7 L HD11 . 16398 1 51 . 1 1 7 7 LEU HD13 H 1 0.937 0.02 . 2 . . . . 7 L HD11 . 16398 1 52 . 1 1 7 7 LEU HG H 1 1.070 0.02 . 1 . . . . 7 L HG . 16398 1 53 . 1 1 7 7 LEU C C 13 177.284 0.04 . 1 . . . . 7 L C . 16398 1 54 . 1 1 7 7 LEU CA C 13 54.741 0.04 . 1 . . . . 7 L CA . 16398 1 55 . 1 1 7 7 LEU CB C 13 39.284 0.04 . 1 . . . . 7 L CB . 16398 1 56 . 1 1 7 7 LEU CD1 C 13 21.777 0.04 . 1 . . . . 7 L CD1 . 16398 1 57 . 1 1 7 7 LEU CG C 13 25.048 0.04 . 1 . . . . 7 L CG . 16398 1 58 . 1 1 7 7 LEU N N 15 121.268 0.04 . 1 . . . . 7 L N . 16398 1 59 . 1 1 8 8 THR H H 1 10.385 0.02 . 1 . . . . 8 T HN . 16398 1 60 . 1 1 8 8 THR HA H 1 4.521 0.02 . 1 . . . . 8 T HA . 16398 1 61 . 1 1 8 8 THR HB H 1 4.342 0.02 . 1 . . . . 8 T HB . 16398 1 62 . 1 1 8 8 THR HG21 H 1 1.264 0.02 . 1 . . . . 8 T HG21 . 16398 1 63 . 1 1 8 8 THR HG22 H 1 1.264 0.02 . 1 . . . . 8 T HG21 . 16398 1 64 . 1 1 8 8 THR HG23 H 1 1.264 0.02 . 1 . . . . 8 T HG21 . 16398 1 65 . 1 1 8 8 THR C C 13 176.965 0.04 . 1 . . . . 8 T C . 16398 1 66 . 1 1 8 8 THR CA C 13 64.563 0.04 . 1 . . . . 8 T CA . 16398 1 67 . 1 1 8 8 THR CB C 13 71.946 0.04 . 1 . . . . 8 T CB . 16398 1 68 . 1 1 8 8 THR CG2 C 13 21.089 0.04 . 1 . . . . 8 T CG2 . 16398 1 69 . 1 1 8 8 THR N N 15 113.472 0.04 . 1 . . . . 8 T N . 16398 1 70 . 1 1 9 9 GLY H H 1 9.733 0.02 . 1 . . . . 9 G HN . 16398 1 71 . 1 1 9 9 GLY HA2 H 1 4.391 0.02 . 2 . . . . 9 G HA1 . 16398 1 72 . 1 1 9 9 GLY HA3 H 1 3.805 0.02 . 2 . . . . 9 G HA2 . 16398 1 73 . 1 1 9 9 GLY C C 13 173.133 0.04 . 1 . . . . 9 G C . 16398 1 74 . 1 1 9 9 GLY CA C 13 45.453 0.04 . 1 . . . . 9 G CA . 16398 1 75 . 1 1 9 9 GLY N N 15 114.948 0.04 . 1 . . . . 9 G N . 16398 1 76 . 1 1 10 10 ASN H H 1 7.664 0.02 . 1 . . . . 10 N HN . 16398 1 77 . 1 1 10 10 ASN HA H 1 4.906 0.02 . 1 . . . . 10 N HA . 16398 1 78 . 1 1 10 10 ASN HB2 H 1 2.939 0.02 . 2 . . . . 10 N HB1 . 16398 1 79 . 1 1 10 10 ASN HB3 H 1 2.694 0.02 . 2 . . . . 10 N HB2 . 16398 1 80 . 1 1 10 10 ASN HD21 H 1 7.599 0.02 . 2 . . . . 10 N HD21 . 16398 1 81 . 1 1 10 10 ASN HD22 H 1 7.065 0.02 . 2 . . . . 10 N HD22 . 16398 1 82 . 1 1 10 10 ASN C C 13 173.098 0.04 . 1 . . . . 10 N C . 16398 1 83 . 1 1 10 10 ASN CA C 13 51.504 0.04 . 1 . . . . 10 N CA . 16398 1 84 . 1 1 10 10 ASN CB C 13 38.449 0.04 . 1 . . . . 10 N CB . 16398 1 85 . 1 1 10 10 ASN N N 15 120.991 0.04 . 1 . . . . 10 N N . 16398 1 86 . 1 1 10 10 ASN ND2 N 15 114.210 0.04 . 1 . . . . 10 N ND2 . 16398 1 87 . 1 1 11 11 TYR H H 1 8.892 0.02 . 1 . . . . 11 Y HN . 16398 1 88 . 1 1 11 11 TYR HA H 1 3.767 0.02 . 1 . . . . 11 Y HA . 16398 1 89 . 1 1 11 11 TYR HB2 H 1 2.934 0.02 . 2 . . . . 11 Y HB1 . 16398 1 90 . 1 1 11 11 TYR HB3 H 1 2.686 0.02 . 2 . . . . 11 Y HB2 . 16398 1 91 . 1 1 11 11 TYR C C 13 177.871 0.04 . 1 . . . . 11 Y C . 16398 1 92 . 1 1 11 11 TYR CA C 13 61.897 0.04 . 1 . . . . 11 Y CA . 16398 1 93 . 1 1 11 11 TYR CB C 13 38.099 0.04 . 1 . . . . 11 Y CB . 16398 1 94 . 1 1 11 11 TYR N N 15 128.653 0.04 . 1 . . . . 11 Y N . 16398 1 95 . 1 1 12 12 SER H H 1 8.729 0.02 . 1 . . . . 12 S HN . 16398 1 96 . 1 1 12 12 SER HA H 1 3.747 0.02 . 1 . . . . 12 S HA . 16398 1 97 . 1 1 12 12 SER HB2 H 1 3.950 0.02 . 2 . . . . 12 S HB1 . 16398 1 98 . 1 1 12 12 SER HB3 H 1 3.737 0.02 . 2 . . . . 12 S HB2 . 16398 1 99 . 1 1 12 12 SER C C 13 174.675 0.04 . 1 . . . . 12 S C . 16398 1 100 . 1 1 12 12 SER CA C 13 62.371 0.04 . 1 . . . . 12 S CA . 16398 1 101 . 1 1 12 12 SER CB C 13 61.600 0.04 . 1 . . . . 12 S CB . 16398 1 102 . 1 1 12 12 SER N N 15 119.446 0.04 . 1 . . . . 12 S N . 16398 1 103 . 1 1 13 13 GLN H H 1 7.645 0.02 . 1 . . . . 13 Q HN . 16398 1 104 . 1 1 13 13 GLN HA H 1 3.955 0.02 . 1 . . . . 13 Q HA . 16398 1 105 . 1 1 13 13 GLN HB2 H 1 2.063 0.02 . 2 . . . . 13 Q HB1 . 16398 1 106 . 1 1 13 13 GLN HB3 H 1 1.996 0.02 . 2 . . . . 13 Q HB2 . 16398 1 107 . 1 1 13 13 GLN HE21 H 1 7.526 0.02 . 2 . . . . 13 Q HE21 . 16398 1 108 . 1 1 13 13 GLN HE22 H 1 6.919 0.02 . 2 . . . . 13 Q HE22 . 16398 1 109 . 1 1 13 13 GLN HG2 H 1 2.420 0.02 . 2 . . . . 13 Q HG1 . 16398 1 110 . 1 1 13 13 GLN C C 13 178.400 0.04 . 1 . . . . 13 Q C . 16398 1 111 . 1 1 13 13 GLN CA C 13 58.083 0.04 . 1 . . . . 13 Q CA . 16398 1 112 . 1 1 13 13 GLN CB C 13 28.328 0.04 . 1 . . . . 13 Q CB . 16398 1 113 . 1 1 13 13 GLN CG C 13 33.057 0.04 . 1 . . . . 13 Q CG . 16398 1 114 . 1 1 13 13 GLN N N 15 121.234 0.04 . 1 . . . . 13 Q N . 16398 1 115 . 1 1 13 13 GLN NE2 N 15 113.206 0.04 . 1 . . . . 13 Q NE2 . 16398 1 116 . 1 1 14 14 ASP H H 1 9.314 0.02 . 1 . . . . 14 D HN . 16398 1 117 . 1 1 14 14 ASP HA H 1 4.513 0.02 . 1 . . . . 14 D HA . 16398 1 118 . 1 1 14 14 ASP HB2 H 1 3.090 0.02 . 2 . . . . 14 D HB1 . 16398 1 119 . 1 1 14 14 ASP HB3 H 1 2.792 0.02 . 2 . . . . 14 D HB2 . 16398 1 120 . 1 1 14 14 ASP C C 13 177.320 0.04 . 1 . . . . 14 D C . 16398 1 121 . 1 1 14 14 ASP CA C 13 56.778 0.04 . 1 . . . . 14 D CA . 16398 1 122 . 1 1 14 14 ASP CB C 13 40.380 0.04 . 1 . . . . 14 D CB . 16398 1 123 . 1 1 14 14 ASP N N 15 120.095 0.04 . 1 . . . . 14 D N . 16398 1 124 . 1 1 15 15 THR H H 1 8.283 0.02 . 1 . . . . 15 T HN . 16398 1 125 . 1 1 15 15 THR HA H 1 3.637 0.02 . 1 . . . . 15 T HA . 16398 1 126 . 1 1 15 15 THR HB H 1 3.979 0.02 . 1 . . . . 15 T HB . 16398 1 127 . 1 1 15 15 THR HG21 H 1 1.052 0.02 . 1 . . . . 15 T HG21 . 16398 1 128 . 1 1 15 15 THR HG22 H 1 1.052 0.02 . 1 . . . . 15 T HG21 . 16398 1 129 . 1 1 15 15 THR HG23 H 1 1.052 0.02 . 1 . . . . 15 T HG21 . 16398 1 130 . 1 1 15 15 THR C C 13 174.455 0.04 . 1 . . . . 15 T C . 16398 1 131 . 1 1 15 15 THR CA C 13 67.657 0.04 . 1 . . . . 15 T CA . 16398 1 132 . 1 1 15 15 THR CB C 13 67.465 0.04 . 1 . . . . 15 T CB . 16398 1 133 . 1 1 15 15 THR CG2 C 13 20.330 0.04 . 1 . . . . 15 T CG2 . 16398 1 134 . 1 1 15 15 THR N N 15 117.657 0.04 . 1 . . . . 15 T N . 16398 1 135 . 1 1 16 16 LEU H H 1 7.452 0.02 . 1 . . . . 16 L HN . 16398 1 136 . 1 1 16 16 LEU HA H 1 3.919 0.02 . 1 . . . . 16 L HA . 16398 1 137 . 1 1 16 16 LEU HB2 H 1 1.985 0.02 . 2 . . . . 16 L HB1 . 16398 1 138 . 1 1 16 16 LEU HB3 H 1 1.477 0.02 . 2 . . . . 16 L HB2 . 16398 1 139 . 1 1 16 16 LEU HG H 1 0.899 0.02 . 1 . . . . 16 L HG . 16398 1 140 . 1 1 16 16 LEU C C 13 179.666 0.04 . 1 . . . . 16 L C . 16398 1 141 . 1 1 16 16 LEU CA C 13 57.864 0.04 . 1 . . . . 16 L CA . 16398 1 142 . 1 1 16 16 LEU CB C 13 39.811 0.04 . 1 . . . . 16 L CB . 16398 1 143 . 1 1 16 16 LEU CG C 13 24.412 0.04 . 1 . . . . 16 L CG . 16398 1 144 . 1 1 16 16 LEU N N 15 120.034 0.04 . 1 . . . . 16 L N . 16398 1 145 . 1 1 17 17 THR H H 1 8.708 0.02 . 1 . . . . 17 T HN . 16398 1 146 . 1 1 17 17 THR HA H 1 3.893 0.02 . 1 . . . . 17 T HA . 16398 1 147 . 1 1 17 17 THR HB H 1 4.369 0.02 . 1 . . . . 17 T HB . 16398 1 148 . 1 1 17 17 THR HG21 H 1 1.162 0.02 . 1 . . . . 17 T HG21 . 16398 1 149 . 1 1 17 17 THR HG22 H 1 1.162 0.02 . 1 . . . . 17 T HG21 . 16398 1 150 . 1 1 17 17 THR HG23 H 1 1.162 0.02 . 1 . . . . 17 T HG21 . 16398 1 151 . 1 1 17 17 THR C C 13 179.666 0.04 . 1 . . . . 17 T C . 16398 1 152 . 1 1 17 17 THR CA C 13 66.152 0.04 . 1 . . . . 17 T CA . 16398 1 153 . 1 1 17 17 THR CB C 13 67.921 0.04 . 1 . . . . 17 T CB . 16398 1 154 . 1 1 17 17 THR CG2 C 13 21.418 0.04 . 1 . . . . 17 T CG2 . 16398 1 155 . 1 1 17 17 THR N N 15 121.382 0.04 . 1 . . . . 17 T N . 16398 1 156 . 1 1 18 18 VAL H H 1 8.194 0.02 . 1 . . . . 18 V HN . 16398 1 157 . 1 1 18 18 VAL HA H 1 3.705 0.02 . 1 . . . . 18 V HA . 16398 1 158 . 1 1 18 18 VAL HB H 1 1.657 0.02 . 1 . . . . 18 V HB . 16398 1 159 . 1 1 18 18 VAL HG11 H 1 0.905 0.02 . 2 . . . . 18 V HG11 . 16398 1 160 . 1 1 18 18 VAL HG12 H 1 0.905 0.02 . 2 . . . . 18 V HG11 . 16398 1 161 . 1 1 18 18 VAL HG13 H 1 0.905 0.02 . 2 . . . . 18 V HG11 . 16398 1 162 . 1 1 18 18 VAL HG21 H 1 0.503 0.02 . 2 . . . . 18 V HG21 . 16398 1 163 . 1 1 18 18 VAL HG22 H 1 0.503 0.02 . 2 . . . . 18 V HG21 . 16398 1 164 . 1 1 18 18 VAL HG23 H 1 0.503 0.02 . 2 . . . . 18 V HG21 . 16398 1 165 . 1 1 18 18 VAL C C 13 177.242 0.04 . 1 . . . . 18 V C . 16398 1 166 . 1 1 18 18 VAL CA C 13 65.886 0.04 . 1 . . . . 18 V CA . 16398 1 167 . 1 1 18 18 VAL CB C 13 30.729 0.04 . 1 . . . . 18 V CB . 16398 1 168 . 1 1 18 18 VAL CG1 C 13 23.333 0.04 . 1 . . . . 18 V CG1 . 16398 1 169 . 1 1 18 18 VAL CG2 C 13 21.243 0.04 . 1 . . . . 18 V CG2 . 16398 1 170 . 1 1 18 18 VAL N N 15 123.227 0.04 . 1 . . . . 18 V N . 16398 1 171 . 1 1 19 19 ILE H H 1 7.933 0.02 . 1 . . . . 19 I HN . 16398 1 172 . 1 1 19 19 ILE HA H 1 2.633 0.02 . 1 . . . . 19 I HA . 16398 1 173 . 1 1 19 19 ILE HB H 1 1.602 0.02 . 1 . . . . 19 I HB . 16398 1 174 . 1 1 19 19 ILE HD11 H 1 0.860 0.02 . 1 . . . . 19 I HD11 . 16398 1 175 . 1 1 19 19 ILE HD12 H 1 0.860 0.02 . 1 . . . . 19 I HD11 . 16398 1 176 . 1 1 19 19 ILE HD13 H 1 0.860 0.02 . 1 . . . . 19 I HD11 . 16398 1 177 . 1 1 19 19 ILE HG12 H 1 1.732 0.02 . 1 . . . . 19 I HG11 . 16398 1 178 . 1 1 19 19 ILE HG13 H 1 0.375 0.02 . 1 . . . . 19 I HG12 . 16398 1 179 . 1 1 19 19 ILE HG21 H 1 0.570 0.02 . 1 . . . . 19 I HG21 . 16398 1 180 . 1 1 19 19 ILE HG22 H 1 0.570 0.02 . 1 . . . . 19 I HG21 . 16398 1 181 . 1 1 19 19 ILE HG23 H 1 0.570 0.02 . 1 . . . . 19 I HG21 . 16398 1 182 . 1 1 19 19 ILE C C 13 176.276 0.04 . 1 . . . . 19 I C . 16398 1 183 . 1 1 19 19 ILE CA C 13 66.137 0.04 . 1 . . . . 19 I CA . 16398 1 184 . 1 1 19 19 ILE CB C 13 37.782 0.04 . 1 . . . . 19 I CB . 16398 1 185 . 1 1 19 19 ILE CD1 C 13 14.327 0.04 . 1 . . . . 19 I CD1 . 16398 1 186 . 1 1 19 19 ILE CG1 C 13 30.137 0.04 . 1 . . . . 19 I CG1 . 16398 1 187 . 1 1 19 19 ILE CG2 C 13 15.923 0.04 . 1 . . . . 19 I CG2 . 16398 1 188 . 1 1 19 19 ILE N N 15 119.786 0.04 . 1 . . . . 19 I N . 16398 1 189 . 1 1 20 20 ALA H H 1 7.782 0.02 . 1 . . . . 20 A HN . 16398 1 190 . 1 1 20 20 ALA HA H 1 3.972 0.02 . 1 . . . . 20 A HA . 16398 1 191 . 1 1 20 20 ALA HB1 H 1 1.530 0.02 . 1 . . . . 20 A HB1 . 16398 1 192 . 1 1 20 20 ALA HB2 H 1 1.530 0.02 . 1 . . . . 20 A HB1 . 16398 1 193 . 1 1 20 20 ALA HB3 H 1 1.530 0.02 . 1 . . . . 20 A HB1 . 16398 1 194 . 1 1 20 20 ALA C C 13 180.867 0.04 . 1 . . . . 20 A C . 16398 1 195 . 1 1 20 20 ALA CA C 13 55.170 0.04 . 1 . . . . 20 A CA . 16398 1 196 . 1 1 20 20 ALA CB C 13 17.282 0.04 . 1 . . . . 20 A CB . 16398 1 197 . 1 1 20 20 ALA N N 15 121.793 0.04 . 1 . . . . 20 A N . 16398 1 198 . 1 1 21 21 THR H H 1 8.573 0.02 . 1 . . . . 21 T HN . 16398 1 199 . 1 1 21 21 THR HA H 1 3.902 0.02 . 1 . . . . 21 T HA . 16398 1 200 . 1 1 21 21 THR HB H 1 4.373 0.02 . 1 . . . . 21 T HB . 16398 1 201 . 1 1 21 21 THR HG21 H 1 1.076 0.02 . 1 . . . . 21 T HG21 . 16398 1 202 . 1 1 21 21 THR HG22 H 1 1.076 0.02 . 1 . . . . 21 T HG21 . 16398 1 203 . 1 1 21 21 THR HG23 H 1 1.076 0.02 . 1 . . . . 21 T HG21 . 16398 1 204 . 1 1 21 21 THR C C 13 176.720 0.04 . 1 . . . . 21 T C . 16398 1 205 . 1 1 21 21 THR CA C 13 65.200 0.04 . 1 . . . . 21 T CA . 16398 1 206 . 1 1 21 21 THR CB C 13 68.092 0.04 . 1 . . . . 21 T CB . 16398 1 207 . 1 1 21 21 THR CG2 C 13 21.060 0.04 . 1 . . . . 21 T CG2 . 16398 1 208 . 1 1 21 21 THR N N 15 118.393 0.04 . 1 . . . . 21 T N . 16398 1 209 . 1 1 22 22 LEU H H 1 8.583 0.02 . 1 . . . . 22 L HN . 16398 1 210 . 1 1 22 22 LEU HA H 1 4.065 0.02 . 1 . . . . 22 L HA . 16398 1 211 . 1 1 22 22 LEU HB2 H 1 1.538 0.02 . 2 . . . . 22 L HB1 . 16398 1 212 . 1 1 22 22 LEU HB3 H 1 1.221 0.02 . 2 . . . . 22 L HB2 . 16398 1 213 . 1 1 22 22 LEU HD21 H 1 0.814 0.02 . 2 . . . . 22 L HD21 . 16398 1 214 . 1 1 22 22 LEU HD22 H 1 0.814 0.02 . 2 . . . . 22 L HD21 . 16398 1 215 . 1 1 22 22 LEU HD23 H 1 0.814 0.02 . 2 . . . . 22 L HD21 . 16398 1 216 . 1 1 22 22 LEU HG H 1 0.743 0.02 . 1 . . . . 22 L HG . 16398 1 217 . 1 1 22 22 LEU C C 13 178.284 0.04 . 1 . . . . 22 L C . 16398 1 218 . 1 1 22 22 LEU CA C 13 57.005 0.04 . 1 . . . . 22 L CA . 16398 1 219 . 1 1 22 22 LEU CB C 13 40.209 0.04 . 1 . . . . 22 L CB . 16398 1 220 . 1 1 22 22 LEU CD1 C 13 25.942 0.04 . 1 . . . . 22 L CD1 . 16398 1 221 . 1 1 22 22 LEU CD2 C 13 21.601 0.04 . 1 . . . . 22 L CD2 . 16398 1 222 . 1 1 22 22 LEU CG C 13 25.776 0.04 . 1 . . . . 22 L CG . 16398 1 223 . 1 1 22 22 LEU N N 15 122.517 0.04 . 1 . . . . 22 L N . 16398 1 224 . 1 1 23 23 ARG H H 1 8.858 0.02 . 1 . . . . 23 R HN . 16398 1 225 . 1 1 23 23 ARG HA H 1 3.873 0.02 . 1 . . . . 23 R HA . 16398 1 226 . 1 1 23 23 ARG HB2 H 1 1.857 0.02 . 2 . . . . 23 R HB1 . 16398 1 227 . 1 1 23 23 ARG HD2 H 1 3.092 0.02 . 2 . . . . 23 R HD1 . 16398 1 228 . 1 1 23 23 ARG HE H 1 7.317 0.02 . 1 . . . . 23 R HE . 16398 1 229 . 1 1 23 23 ARG HG2 H 1 1.624 0.02 . 2 . . . . 23 R HG1 . 16398 1 230 . 1 1 23 23 ARG C C 13 178.503 0.04 . 1 . . . . 23 R C . 16398 1 231 . 1 1 23 23 ARG CA C 13 60.362 0.04 . 1 . . . . 23 R CA . 16398 1 232 . 1 1 23 23 ARG CB C 13 29.808 0.04 . 1 . . . . 23 R CB . 16398 1 233 . 1 1 23 23 ARG CD C 13 42.889 0.04 . 1 . . . . 23 R CD . 16398 1 234 . 1 1 23 23 ARG CG C 13 29.520 0.04 . 1 . . . . 23 R CG . 16398 1 235 . 1 1 23 23 ARG N N 15 120.502 0.04 . 1 . . . . 23 R N . 16398 1 236 . 1 1 23 23 ARG NE N 15 87.427 0.04 . 1 . . . . 23 R NE . 16398 1 237 . 1 1 24 24 GLU H H 1 7.250 0.02 . 1 . . . . 24 E HN . 16398 1 238 . 1 1 24 24 GLU HA H 1 4.109 0.02 . 1 . . . . 24 E HA . 16398 1 239 . 1 1 24 24 GLU HB2 H 1 2.146 0.02 . 2 . . . . 24 E HB1 . 16398 1 240 . 1 1 24 24 GLU HB3 H 1 2.099 0.02 . 2 . . . . 24 E HB2 . 16398 1 241 . 1 1 24 24 GLU HG2 H 1 2.367 0.02 . 2 . . . . 24 E HG1 . 16398 1 242 . 1 1 24 24 GLU HG3 H 1 2.156 0.02 . 2 . . . . 24 E HG2 . 16398 1 243 . 1 1 24 24 GLU CA C 13 58.312 0.04 . 1 . . . . 24 E CA . 16398 1 244 . 1 1 24 24 GLU CB C 13 29.024 0.04 . 1 . . . . 24 E CB . 16398 1 245 . 1 1 24 24 GLU CG C 13 35.736 0.04 . 1 . . . . 24 E CG . 16398 1 246 . 1 1 24 24 GLU N N 15 117.221 0.04 . 1 . . . . 24 E N . 16398 1 247 . 1 1 25 25 ALA H H 1 8.223 0.02 . 1 . . . . 25 A HN . 16398 1 248 . 1 1 25 25 ALA HA H 1 3.983 0.02 . 1 . . . . 25 A HA . 16398 1 249 . 1 1 25 25 ALA HB1 H 1 1.475 0.02 . 1 . . . . 25 A HB1 . 16398 1 250 . 1 1 25 25 ALA HB2 H 1 1.475 0.02 . 1 . . . . 25 A HB1 . 16398 1 251 . 1 1 25 25 ALA HB3 H 1 1.475 0.02 . 1 . . . . 25 A HB1 . 16398 1 252 . 1 1 25 25 ALA C C 13 180.617 0.04 . 1 . . . . 25 A C . 16398 1 253 . 1 1 25 25 ALA CA C 13 55.203 0.04 . 1 . . . . 25 A CA . 16398 1 254 . 1 1 25 25 ALA CB C 13 17.657 0.04 . 1 . . . . 25 A CB . 16398 1 255 . 1 1 25 25 ALA N N 15 121.823 0.04 . 1 . . . . 25 A N . 16398 1 256 . 1 1 26 26 ILE H H 1 8.552 0.02 . 1 . . . . 26 I HN . 16398 1 257 . 1 1 26 26 ILE HA H 1 4.144 0.02 . 1 . . . . 26 I HA . 16398 1 258 . 1 1 26 26 ILE HB H 1 2.023 0.02 . 1 . . . . 26 I HB . 16398 1 259 . 1 1 26 26 ILE HD11 H 1 0.935 0.02 . 1 . . . . 26 I HD11 . 16398 1 260 . 1 1 26 26 ILE HD12 H 1 0.935 0.02 . 1 . . . . 26 I HD11 . 16398 1 261 . 1 1 26 26 ILE HD13 H 1 0.935 0.02 . 1 . . . . 26 I HD11 . 16398 1 262 . 1 1 26 26 ILE HG12 H 1 1.720 0.02 . 1 . . . . 26 I HG11 . 16398 1 263 . 1 1 26 26 ILE HG13 H 1 1.478 0.02 . 1 . . . . 26 I HG12 . 16398 1 264 . 1 1 26 26 ILE HG21 H 1 1.055 0.02 . 1 . . . . 26 I HG21 . 16398 1 265 . 1 1 26 26 ILE HG22 H 1 1.055 0.02 . 1 . . . . 26 I HG21 . 16398 1 266 . 1 1 26 26 ILE HG23 H 1 1.055 0.02 . 1 . . . . 26 I HG21 . 16398 1 267 . 1 1 26 26 ILE C C 13 175.586 0.04 . 1 . . . . 26 I C . 16398 1 268 . 1 1 26 26 ILE CA C 13 63.790 0.04 . 1 . . . . 26 I CA . 16398 1 269 . 1 1 26 26 ILE CB C 13 37.496 0.04 . 1 . . . . 26 I CB . 16398 1 270 . 1 1 26 26 ILE CD1 C 13 14.061 0.04 . 1 . . . . 26 I CD1 . 16398 1 271 . 1 1 26 26 ILE CG1 C 13 25.402 0.04 . 1 . . . . 26 I CG1 . 16398 1 272 . 1 1 26 26 ILE CG2 C 13 16.484 0.04 . 1 . . . . 26 I CG2 . 16398 1 273 . 1 1 26 26 ILE N N 15 112.838 0.04 . 1 . . . . 26 I N . 16398 1 274 . 1 1 27 27 ASP H H 1 7.175 0.02 . 1 . . . . 27 D HN . 16398 1 275 . 1 1 27 27 ASP HA H 1 4.934 0.02 . 1 . . . . 27 D HA . 16398 1 276 . 1 1 27 27 ASP HB2 H 1 2.885 0.02 . 2 . . . . 27 D HB1 . 16398 1 277 . 1 1 27 27 ASP HB3 H 1 2.519 0.02 . 2 . . . . 27 D HB2 . 16398 1 278 . 1 1 27 27 ASP C C 13 175.602 0.04 . 1 . . . . 27 D C . 16398 1 279 . 1 1 27 27 ASP CA C 13 53.160 0.04 . 1 . . . . 27 D CA . 16398 1 280 . 1 1 27 27 ASP CB C 13 41.754 0.04 . 1 . . . . 27 D CB . 16398 1 281 . 1 1 27 27 ASP N N 15 120.840 0.04 . 1 . . . . 27 D N . 16398 1 282 . 1 1 28 28 LEU H H 1 7.136 0.02 . 1 . . . . 28 L HN . 16398 1 283 . 1 1 28 28 LEU HA H 1 4.510 0.02 . 1 . . . . 28 L HA . 16398 1 284 . 1 1 28 28 LEU HB2 H 1 1.776 0.02 . 2 . . . . 28 L HB1 . 16398 1 285 . 1 1 28 28 LEU HB3 H 1 1.588 0.02 . 2 . . . . 28 L HB2 . 16398 1 286 . 1 1 28 28 LEU HD11 H 1 0.906 0.02 . 2 . . . . 28 L HD11 . 16398 1 287 . 1 1 28 28 LEU HD12 H 1 0.906 0.02 . 2 . . . . 28 L HD11 . 16398 1 288 . 1 1 28 28 LEU HD13 H 1 0.906 0.02 . 2 . . . . 28 L HD11 . 16398 1 289 . 1 1 28 28 LEU HG H 1 0.998 0.02 . 1 . . . . 28 L HG . 16398 1 290 . 1 1 28 28 LEU CA C 13 53.379 0.04 . 1 . . . . 28 L CA . 16398 1 291 . 1 1 28 28 LEU CB C 13 42.286 0.04 . 1 . . . . 28 L CB . 16398 1 292 . 1 1 28 28 LEU CD1 C 13 24.874 0.04 . 1 . . . . 28 L CD1 . 16398 1 293 . 1 1 28 28 LEU CG C 13 24.716 0.04 . 1 . . . . 28 L CG . 16398 1 294 . 1 1 28 28 LEU N N 15 124.155 0.04 . 1 . . . . 28 L N . 16398 1 295 . 1 1 29 29 PRO HA H 1 4.552 0.02 . 1 . . . . 29 P HA . 16398 1 296 . 1 1 29 29 PRO HB2 H 1 2.504 0.02 . 2 . . . . 29 P HB1 . 16398 1 297 . 1 1 29 29 PRO HB3 H 1 2.032 0.02 . 2 . . . . 29 P HB2 . 16398 1 298 . 1 1 29 29 PRO HD2 H 1 4.190 0.02 . 2 . . . . 29 P HD1 . 16398 1 299 . 1 1 29 29 PRO HD3 H 1 3.680 0.02 . 2 . . . . 29 P HD2 . 16398 1 300 . 1 1 29 29 PRO HG2 H 1 2.150 0.02 . 2 . . . . 29 P HG1 . 16398 1 301 . 1 1 29 29 PRO C C 13 177.414 0.04 . 1 . . . . 29 P C . 16398 1 302 . 1 1 29 29 PRO CA C 13 62.506 0.04 . 1 . . . . 29 P CA . 16398 1 303 . 1 1 29 29 PRO CB C 13 32.263 0.04 . 1 . . . . 29 P CB . 16398 1 304 . 1 1 29 29 PRO CD C 13 50.335 0.04 . 1 . . . . 29 P CD . 16398 1 305 . 1 1 30 30 GLN H H 1 8.935 0.02 . 1 . . . . 30 Q HN . 16398 1 306 . 1 1 30 30 GLN HA H 1 3.966 0.02 . 1 . . . . 30 Q HA . 16398 1 307 . 1 1 30 30 GLN HB2 H 1 2.158 0.02 . 2 . . . . 30 Q HB1 . 16398 1 308 . 1 1 30 30 GLN HB3 H 1 2.110 0.02 . 2 . . . . 30 Q HB2 . 16398 1 309 . 1 1 30 30 GLN HE21 H 1 7.670 0.02 . 2 . . . . 30 Q HE21 . 16398 1 310 . 1 1 30 30 GLN HG2 H 1 2.466 0.02 . 2 . . . . 30 Q HG1 . 16398 1 311 . 1 1 30 30 GLN C C 13 175.595 0.04 . 1 . . . . 30 Q C . 16398 1 312 . 1 1 30 30 GLN CA C 13 58.036 0.04 . 1 . . . . 30 Q CA . 16398 1 313 . 1 1 30 30 GLN CB C 13 28.116 0.04 . 1 . . . . 30 Q CB . 16398 1 314 . 1 1 30 30 GLN CG C 13 32.869 0.04 . 1 . . . . 30 Q CG . 16398 1 315 . 1 1 30 30 GLN N N 15 122.119 0.04 . 1 . . . . 30 Q N . 16398 1 316 . 1 1 30 30 GLN NE2 N 15 112.877 0.04 . 1 . . . . 30 Q NE2 . 16398 1 317 . 1 1 31 31 ASP H H 1 8.353 0.02 . 1 . . . . 31 D HN . 16398 1 318 . 1 1 31 31 ASP HA H 1 4.682 0.02 . 1 . . . . 31 D HA . 16398 1 319 . 1 1 31 31 ASP HB2 H 1 2.893 0.02 . 2 . . . . 31 D HB1 . 16398 1 320 . 1 1 31 31 ASP HB3 H 1 2.660 0.02 . 2 . . . . 31 D HB2 . 16398 1 321 . 1 1 31 31 ASP C C 13 175.518 0.04 . 1 . . . . 31 D C . 16398 1 322 . 1 1 31 31 ASP CA C 13 52.178 0.04 . 1 . . . . 31 D CA . 16398 1 323 . 1 1 31 31 ASP CB C 13 39.270 0.04 . 1 . . . . 31 D CB . 16398 1 324 . 1 1 31 31 ASP N N 15 115.909 0.04 . 1 . . . . 31 D N . 16398 1 325 . 1 1 32 32 ALA H H 1 7.467 0.02 . 1 . . . . 32 A HN . 16398 1 326 . 1 1 32 32 ALA HA H 1 4.564 0.02 . 1 . . . . 32 A HA . 16398 1 327 . 1 1 32 32 ALA HB1 H 1 1.542 0.02 . 1 . . . . 32 A HB1 . 16398 1 328 . 1 1 32 32 ALA HB2 H 1 1.542 0.02 . 1 . . . . 32 A HB1 . 16398 1 329 . 1 1 32 32 ALA HB3 H 1 1.542 0.02 . 1 . . . . 32 A HB1 . 16398 1 330 . 1 1 32 32 ALA CA C 13 50.496 0.04 . 1 . . . . 32 A CA . 16398 1 331 . 1 1 32 32 ALA CB C 13 17.852 0.04 . 1 . . . . 32 A CB . 16398 1 332 . 1 1 32 32 ALA N N 15 124.893 0.04 . 1 . . . . 32 A N . 16398 1 333 . 1 1 33 33 PRO HA H 1 4.494 0.02 . 1 . . . . 33 P HA . 16398 1 334 . 1 1 33 33 PRO HB2 H 1 2.391 0.02 . 2 . . . . 33 P HB1 . 16398 1 335 . 1 1 33 33 PRO HB3 H 1 2.084 0.02 . 2 . . . . 33 P HB2 . 16398 1 336 . 1 1 33 33 PRO HD2 H 1 3.989 0.02 . 2 . . . . 33 P HD1 . 16398 1 337 . 1 1 33 33 PRO HD3 H 1 3.760 0.02 . 2 . . . . 33 P HD2 . 16398 1 338 . 1 1 33 33 PRO HG2 H 1 2.141 0.02 . 2 . . . . 33 P HG1 . 16398 1 339 . 1 1 33 33 PRO C C 13 176.278 0.04 . 1 . . . . 33 P C . 16398 1 340 . 1 1 33 33 PRO CA C 13 63.894 0.04 . 1 . . . . 33 P CA . 16398 1 341 . 1 1 33 33 PRO CB C 13 31.354 0.04 . 1 . . . . 33 P CB . 16398 1 342 . 1 1 33 33 PRO CD C 13 50.273 0.04 . 1 . . . . 33 P CD . 16398 1 343 . 1 1 33 33 PRO CG C 13 27.158 0.04 . 1 . . . . 33 P CG . 16398 1 344 . 1 1 34 34 ASN H H 1 8.577 0.02 . 1 . . . . 34 N HN . 16398 1 345 . 1 1 34 34 ASN HA H 1 5.041 0.02 . 1 . . . . 34 N HA . 16398 1 346 . 1 1 34 34 ASN HB2 H 1 3.147 0.02 . 2 . . . . 34 N HB1 . 16398 1 347 . 1 1 34 34 ASN HB3 H 1 2.758 0.02 . 2 . . . . 34 N HB2 . 16398 1 348 . 1 1 34 34 ASN HD21 H 1 7.679 0.02 . 2 . . . . 34 N HD21 . 16398 1 349 . 1 1 34 34 ASN HD22 H 1 6.796 0.02 . 2 . . . . 34 N HD22 . 16398 1 350 . 1 1 34 34 ASN C C 13 174.678 0.04 . 1 . . . . 34 N C . 16398 1 351 . 1 1 34 34 ASN CA C 13 51.792 0.04 . 1 . . . . 34 N CA . 16398 1 352 . 1 1 34 34 ASN CB C 13 36.334 0.04 . 1 . . . . 34 N CB . 16398 1 353 . 1 1 34 34 ASN N N 15 115.598 0.04 . 1 . . . . 34 N N . 16398 1 354 . 1 1 34 34 ASN ND2 N 15 113.252 0.04 . 1 . . . . 34 N ND2 . 16398 1 355 . 1 1 35 35 ARG H H 1 7.401 0.02 . 1 . . . . 35 R HN . 16398 1 356 . 1 1 35 35 ARG HA H 1 3.726 0.02 . 1 . . . . 35 R HA . 16398 1 357 . 1 1 35 35 ARG HB2 H 1 1.962 0.02 . 2 . . . . 35 R HB1 . 16398 1 358 . 1 1 35 35 ARG HB3 H 1 1.857 0.02 . 2 . . . . 35 R HB2 . 16398 1 359 . 1 1 35 35 ARG HD2 H 1 3.360 0.02 . 2 . . . . 35 R HD1 . 16398 1 360 . 1 1 35 35 ARG HD3 H 1 3.295 0.02 . 2 . . . . 35 R HD2 . 16398 1 361 . 1 1 35 35 ARG HE H 1 7.524 0.02 . 1 . . . . 35 R HE . 16398 1 362 . 1 1 35 35 ARG HG2 H 1 1.573 0.02 . 2 . . . . 35 R HG1 . 16398 1 363 . 1 1 35 35 ARG C C 13 176.887 0.04 . 1 . . . . 35 R C . 16398 1 364 . 1 1 35 35 ARG CA C 13 60.063 0.04 . 1 . . . . 35 R CA . 16398 1 365 . 1 1 35 35 ARG CB C 13 29.571 0.04 . 1 . . . . 35 R CB . 16398 1 366 . 1 1 35 35 ARG CD C 13 42.547 0.04 . 1 . . . . 35 R CD . 16398 1 367 . 1 1 35 35 ARG CG C 13 26.480 0.04 . 1 . . . . 35 R CG . 16398 1 368 . 1 1 35 35 ARG N N 15 119.690 0.04 . 1 . . . . 35 R N . 16398 1 369 . 1 1 35 35 ARG NE N 15 84.774 0.04 . 1 . . . . 35 R NE . 16398 1 370 . 1 1 36 36 GLN H H 1 8.780 0.02 . 1 . . . . 36 Q HN . 16398 1 371 . 1 1 36 36 GLN HA H 1 3.805 0.02 . 1 . . . . 36 Q HA . 16398 1 372 . 1 1 36 36 GLN HB2 H 1 2.111 0.02 . 2 . . . . 36 Q HB1 . 16398 1 373 . 1 1 36 36 GLN HB3 H 1 2.024 0.02 . 2 . . . . 36 Q HB2 . 16398 1 374 . 1 1 36 36 GLN HE21 H 1 7.901 0.02 . 2 . . . . 36 Q HE21 . 16398 1 375 . 1 1 36 36 GLN HE22 H 1 6.755 0.02 . 2 . . . . 36 Q HE22 . 16398 1 376 . 1 1 36 36 GLN HG2 H 1 2.373 0.02 . 2 . . . . 36 Q HG1 . 16398 1 377 . 1 1 36 36 GLN CA C 13 58.618 0.04 . 1 . . . . 36 Q CA . 16398 1 378 . 1 1 36 36 GLN CB C 13 27.595 0.04 . 1 . . . . 36 Q CB . 16398 1 379 . 1 1 36 36 GLN CG C 13 32.865 0.04 . 1 . . . . 36 Q CG . 16398 1 380 . 1 1 36 36 GLN N N 15 119.100 0.04 . 1 . . . . 36 Q N . 16398 1 381 . 1 1 36 36 GLN NE2 N 15 116.166 0.04 . 1 . . . . 36 Q NE2 . 16398 1 382 . 1 1 37 37 GLU H H 1 8.128 0.02 . 1 . . . . 37 E HN . 16398 1 383 . 1 1 37 37 GLU HA H 1 4.137 0.02 . 1 . . . . 37 E HA . 16398 1 384 . 1 1 37 37 GLU HB2 H 1 2.149 0.02 . 2 . . . . 37 E HB1 . 16398 1 385 . 1 1 37 37 GLU HB3 H 1 2.105 0.02 . 2 . . . . 37 E HB2 . 16398 1 386 . 1 1 37 37 GLU HG2 H 1 2.342 0.02 . 2 . . . . 37 E HG1 . 16398 1 387 . 1 1 37 37 GLU C C 13 179.222 0.04 . 1 . . . . 37 E C . 16398 1 388 . 1 1 37 37 GLU CA C 13 59.336 0.04 . 1 . . . . 37 E CA . 16398 1 389 . 1 1 37 37 GLU CB C 13 28.781 0.04 . 1 . . . . 37 E CB . 16398 1 390 . 1 1 37 37 GLU CG C 13 35.790 0.04 . 1 . . . . 37 E CG . 16398 1 391 . 1 1 37 37 GLU N N 15 120.485 0.04 . 1 . . . . 37 E N . 16398 1 392 . 1 1 38 38 VAL H H 1 8.127 0.02 . 1 . . . . 38 V HN . 16398 1 393 . 1 1 38 38 VAL HA H 1 3.708 0.02 . 1 . . . . 38 V HA . 16398 1 394 . 1 1 38 38 VAL HB H 1 2.001 0.02 . 1 . . . . 38 V HB . 16398 1 395 . 1 1 38 38 VAL HG11 H 1 1.041 0.02 . 2 . . . . 38 V HG11 . 16398 1 396 . 1 1 38 38 VAL HG12 H 1 1.041 0.02 . 2 . . . . 38 V HG11 . 16398 1 397 . 1 1 38 38 VAL HG13 H 1 1.041 0.02 . 2 . . . . 38 V HG11 . 16398 1 398 . 1 1 38 38 VAL HG21 H 1 0.951 0.02 . 2 . . . . 38 V HG21 . 16398 1 399 . 1 1 38 38 VAL HG22 H 1 0.951 0.02 . 2 . . . . 38 V HG21 . 16398 1 400 . 1 1 38 38 VAL HG23 H 1 0.951 0.02 . 2 . . . . 38 V HG21 . 16398 1 401 . 1 1 38 38 VAL C C 13 178.246 0.04 . 1 . . . . 38 V C . 16398 1 402 . 1 1 38 38 VAL CA C 13 66.019 0.04 . 1 . . . . 38 V CA . 16398 1 403 . 1 1 38 38 VAL CB C 13 31.008 0.04 . 1 . . . . 38 V CB . 16398 1 404 . 1 1 38 38 VAL CG1 C 13 22.251 0.04 . 1 . . . . 38 V CG1 . 16398 1 405 . 1 1 38 38 VAL CG2 C 13 20.366 0.04 . 1 . . . . 38 V CG2 . 16398 1 406 . 1 1 38 38 VAL N N 15 121.937 0.04 . 1 . . . . 38 V N . 16398 1 407 . 1 1 39 39 GLN H H 1 8.324 0.02 . 1 . . . . 39 Q HN . 16398 1 408 . 1 1 39 39 GLN HA H 1 3.764 0.02 . 1 . . . . 39 Q HA . 16398 1 409 . 1 1 39 39 GLN HB2 H 1 2.055 0.02 . 2 . . . . 39 Q HB1 . 16398 1 410 . 1 1 39 39 GLN HB3 H 1 1.796 0.02 . 2 . . . . 39 Q HB2 . 16398 1 411 . 1 1 39 39 GLN HE21 H 1 6.953 0.02 . 2 . . . . 39 Q HE21 . 16398 1 412 . 1 1 39 39 GLN HE22 H 1 6.783 0.02 . 2 . . . . 39 Q HE22 . 16398 1 413 . 1 1 39 39 GLN HG2 H 1 2.252 0.02 . 2 . . . . 39 Q HG1 . 16398 1 414 . 1 1 39 39 GLN HG3 H 1 1.986 0.02 . 2 . . . . 39 Q HG2 . 16398 1 415 . 1 1 39 39 GLN C C 13 177.642 0.04 . 1 . . . . 39 Q C . 16398 1 416 . 1 1 39 39 GLN CA C 13 59.019 0.04 . 1 . . . . 39 Q CA . 16398 1 417 . 1 1 39 39 GLN CB C 13 27.176 0.04 . 1 . . . . 39 Q CB . 16398 1 418 . 1 1 39 39 GLN CG C 13 33.614 0.04 . 1 . . . . 39 Q CG . 16398 1 419 . 1 1 39 39 GLN N N 15 120.203 0.04 . 1 . . . . 39 Q N . 16398 1 420 . 1 1 39 39 GLN NE2 N 15 110.630 0.04 . 1 . . . . 39 Q NE2 . 16398 1 421 . 1 1 40 40 ASP H H 1 8.699 0.02 . 1 . . . . 40 D HN . 16398 1 422 . 1 1 40 40 ASP HA H 1 4.391 0.02 . 1 . . . . 40 D HA . 16398 1 423 . 1 1 40 40 ASP HB2 H 1 2.880 0.02 . 2 . . . . 40 D HB1 . 16398 1 424 . 1 1 40 40 ASP HB3 H 1 2.661 0.02 . 2 . . . . 40 D HB2 . 16398 1 425 . 1 1 40 40 ASP C C 13 179.726 0.04 . 1 . . . . 40 D C . 16398 1 426 . 1 1 40 40 ASP CA C 13 57.267 0.04 . 1 . . . . 40 D CA . 16398 1 427 . 1 1 40 40 ASP CB C 13 39.458 0.04 . 1 . . . . 40 D CB . 16398 1 428 . 1 1 40 40 ASP N N 15 121.604 0.04 . 1 . . . . 40 D N . 16398 1 429 . 1 1 41 41 THR H H 1 8.449 0.02 . 1 . . . . 41 T HN . 16398 1 430 . 1 1 41 41 THR HA H 1 3.981 0.02 . 1 . . . . 41 T HA . 16398 1 431 . 1 1 41 41 THR HB H 1 4.314 0.02 . 1 . . . . 41 T HB . 16398 1 432 . 1 1 41 41 THR HG21 H 1 1.286 0.02 . 1 . . . . 41 T HG21 . 16398 1 433 . 1 1 41 41 THR HG22 H 1 1.286 0.02 . 1 . . . . 41 T HG21 . 16398 1 434 . 1 1 41 41 THR HG23 H 1 1.286 0.02 . 1 . . . . 41 T HG21 . 16398 1 435 . 1 1 41 41 THR CA C 13 66.254 0.04 . 1 . . . . 41 T CA . 16398 1 436 . 1 1 41 41 THR CB C 13 67.937 0.04 . 1 . . . . 41 T CB . 16398 1 437 . 1 1 41 41 THR N N 15 121.386 0.04 . 1 . . . . 41 T N . 16398 1 438 . 1 1 42 42 ALA H H 1 8.552 0.02 . 1 . . . . 42 A HN . 16398 1 439 . 1 1 42 42 ALA HA H 1 3.876 0.02 . 1 . . . . 42 A HA . 16398 1 440 . 1 1 42 42 ALA HB1 H 1 1.389 0.02 . 1 . . . . 42 A HB1 . 16398 1 441 . 1 1 42 42 ALA HB2 H 1 1.389 0.02 . 1 . . . . 42 A HB1 . 16398 1 442 . 1 1 42 42 ALA HB3 H 1 1.389 0.02 . 1 . . . . 42 A HB1 . 16398 1 443 . 1 1 42 42 ALA C C 13 178.300 0.04 . 1 . . . . 42 A C . 16398 1 444 . 1 1 42 42 ALA CA C 13 55.244 0.04 . 1 . . . . 42 A CA . 16398 1 445 . 1 1 42 42 ALA CB C 13 17.295 0.04 . 1 . . . . 42 A CB . 16398 1 446 . 1 1 42 42 ALA N N 15 126.245 0.04 . 1 . . . . 42 A N . 16398 1 447 . 1 1 43 43 ARG H H 1 8.553 0.02 . 1 . . . . 43 R HN . 16398 1 448 . 1 1 43 43 ARG HA H 1 3.923 0.02 . 1 . . . . 43 R HA . 16398 1 449 . 1 1 43 43 ARG HB2 H 1 2.032 0.02 . 2 . . . . 43 R HB1 . 16398 1 450 . 1 1 43 43 ARG HB3 H 1 1.978 0.02 . 2 . . . . 43 R HB2 . 16398 1 451 . 1 1 43 43 ARG C C 13 178.522 0.04 . 1 . . . . 43 R C . 16398 1 452 . 1 1 43 43 ARG CA C 13 59.680 0.04 . 1 . . . . 43 R CA . 16398 1 453 . 1 1 43 43 ARG CB C 13 29.887 0.04 . 1 . . . . 43 R CB . 16398 1 454 . 1 1 43 43 ARG N N 15 117.705 0.04 . 1 . . . . 43 R N . 16398 1 455 . 1 1 44 44 GLY H H 1 8.049 0.02 . 1 . . . . 44 G HN . 16398 1 456 . 1 1 44 44 GLY HA2 H 1 4.066 0.02 . 2 . . . . 44 G HA1 . 16398 1 457 . 1 1 44 44 GLY HA3 H 1 3.972 0.02 . 2 . . . . 44 G HA2 . 16398 1 458 . 1 1 44 44 GLY CA C 13 46.710 0.04 . 1 . . . . 44 G CA . 16398 1 459 . 1 1 44 44 GLY N N 15 106.443 0.04 . 1 . . . . 44 G N . 16398 1 460 . 1 1 45 45 GLN H H 1 8.305 0.02 . 1 . . . . 45 Q HN . 16398 1 461 . 1 1 45 45 GLN HA H 1 4.204 0.02 . 1 . . . . 45 Q HA . 16398 1 462 . 1 1 45 45 GLN HB2 H 1 2.199 0.02 . 2 . . . . 45 Q HB1 . 16398 1 463 . 1 1 45 45 GLN HE21 H 1 7.329 0.02 . 2 . . . . 45 Q HE21 . 16398 1 464 . 1 1 45 45 GLN HE22 H 1 6.377 0.02 . 2 . . . . 45 Q HE22 . 16398 1 465 . 1 1 45 45 GLN HG2 H 1 2.705 0.02 . 2 . . . . 45 Q HG1 . 16398 1 466 . 1 1 45 45 GLN C C 13 177.942 0.04 . 1 . . . . 45 Q C . 16398 1 467 . 1 1 45 45 GLN CA C 13 59.930 0.04 . 1 . . . . 45 Q CA . 16398 1 468 . 1 1 45 45 GLN CB C 13 28.520 0.04 . 1 . . . . 45 Q CB . 16398 1 469 . 1 1 45 45 GLN CG C 13 35.180 0.04 . 1 . . . . 45 Q CG . 16398 1 470 . 1 1 45 45 GLN N N 15 123.780 0.04 . 1 . . . . 45 Q N . 16398 1 471 . 1 1 45 45 GLN NE2 N 15 107.438 0.04 . 1 . . . . 45 Q NE2 . 16398 1 472 . 1 1 46 46 ILE H H 1 8.673 0.02 . 1 . . . . 46 I HN . 16398 1 473 . 1 1 46 46 ILE HA H 1 3.594 0.02 . 1 . . . . 46 I HA . 16398 1 474 . 1 1 46 46 ILE HB H 1 2.114 0.02 . 1 . . . . 46 I HB . 16398 1 475 . 1 1 46 46 ILE HD11 H 1 0.977 0.02 . 1 . . . . 46 I HD11 . 16398 1 476 . 1 1 46 46 ILE HD12 H 1 0.977 0.02 . 1 . . . . 46 I HD11 . 16398 1 477 . 1 1 46 46 ILE HD13 H 1 0.977 0.02 . 1 . . . . 46 I HD11 . 16398 1 478 . 1 1 46 46 ILE HG12 H 1 0.983 0.02 . 1 . . . . 46 I HG11 . 16398 1 479 . 1 1 46 46 ILE HG13 H 1 1.020 0.02 . 1 . . . . 46 I HG12 . 16398 1 480 . 1 1 46 46 ILE HG21 H 1 1.047 0.02 . 1 . . . . 46 I HG21 . 16398 1 481 . 1 1 46 46 ILE HG22 H 1 1.047 0.02 . 1 . . . . 46 I HG21 . 16398 1 482 . 1 1 46 46 ILE HG23 H 1 1.047 0.02 . 1 . . . . 46 I HG21 . 16398 1 483 . 1 1 46 46 ILE C C 13 176.649 0.04 . 1 . . . . 46 I C . 16398 1 484 . 1 1 46 46 ILE CA C 13 66.299 0.04 . 1 . . . . 46 I CA . 16398 1 485 . 1 1 46 46 ILE CB C 13 37.762 0.04 . 1 . . . . 46 I CB . 16398 1 486 . 1 1 46 46 ILE CD1 C 13 12.379 0.04 . 1 . . . . 46 I CD1 . 16398 1 487 . 1 1 46 46 ILE CG1 C 13 28.794 0.04 . 1 . . . . 46 I CG1 . 16398 1 488 . 1 1 46 46 ILE CG2 C 13 16.803 0.04 . 1 . . . . 46 I CG2 . 16398 1 489 . 1 1 46 46 ILE N N 15 120.050 0.04 . 1 . . . . 46 I N . 16398 1 490 . 1 1 47 47 ASN H H 1 7.866 0.02 . 1 . . . . 47 N HN . 16398 1 491 . 1 1 47 47 ASN HA H 1 4.525 0.02 . 1 . . . . 47 N HA . 16398 1 492 . 1 1 47 47 ASN HB2 H 1 2.932 0.02 . 2 . . . . 47 N HB1 . 16398 1 493 . 1 1 47 47 ASN HD21 H 1 7.773 0.02 . 2 . . . . 47 N HD21 . 16398 1 494 . 1 1 47 47 ASN HD22 H 1 6.926 0.02 . 2 . . . . 47 N HD22 . 16398 1 495 . 1 1 47 47 ASN C C 13 176.649 0.04 . 1 . . . . 47 N C . 16398 1 496 . 1 1 47 47 ASN CA C 13 55.703 0.04 . 1 . . . . 47 N CA . 16398 1 497 . 1 1 47 47 ASN CB C 13 37.925 0.04 . 1 . . . . 47 N CB . 16398 1 498 . 1 1 47 47 ASN N N 15 116.444 0.04 . 1 . . . . 47 N N . 16398 1 499 . 1 1 47 47 ASN ND2 N 15 113.205 0.04 . 1 . . . . 47 N ND2 . 16398 1 500 . 1 1 48 48 ASP H H 1 8.185 0.02 . 1 . . . . 48 D HN . 16398 1 501 . 1 1 48 48 ASP HA H 1 4.460 0.02 . 1 . . . . 48 D HA . 16398 1 502 . 1 1 48 48 ASP HB2 H 1 2.930 0.02 . 2 . . . . 48 D HB1 . 16398 1 503 . 1 1 48 48 ASP HB3 H 1 2.871 0.02 . 2 . . . . 48 D HB2 . 16398 1 504 . 1 1 48 48 ASP C C 13 176.285 0.04 . 1 . . . . 48 D C . 16398 1 505 . 1 1 48 48 ASP CA C 13 56.635 0.04 . 1 . . . . 48 D CA . 16398 1 506 . 1 1 48 48 ASP CB C 13 41.593 0.04 . 1 . . . . 48 D CB . 16398 1 507 . 1 1 48 48 ASP N N 15 121.725 0.04 . 1 . . . . 48 D N . 16398 1 508 . 1 1 49 49 TYR H H 1 8.756 0.02 . 1 . . . . 49 Y HN . 16398 1 509 . 1 1 49 49 TYR HA H 1 3.892 0.02 . 1 . . . . 49 Y HA . 16398 1 510 . 1 1 49 49 TYR HB2 H 1 3.305 0.02 . 2 . . . . 49 Y HB1 . 16398 1 511 . 1 1 49 49 TYR HB3 H 1 3.230 0.02 . 2 . . . . 49 Y HB2 . 16398 1 512 . 1 1 49 49 TYR C C 13 176.432 0.04 . 1 . . . . 49 Y C . 16398 1 513 . 1 1 49 49 TYR CA C 13 62.617 0.04 . 1 . . . . 49 Y CA . 16398 1 514 . 1 1 49 49 TYR CB C 13 39.188 0.04 . 1 . . . . 49 Y CB . 16398 1 515 . 1 1 49 49 TYR N N 15 121.005 0.04 . 1 . . . . 49 Y N . 16398 1 516 . 1 1 50 50 ILE H H 1 8.481 0.02 . 1 . . . . 50 I HN . 16398 1 517 . 1 1 50 50 ILE HA H 1 3.901 0.02 . 1 . . . . 50 I HA . 16398 1 518 . 1 1 50 50 ILE HB H 1 2.223 0.02 . 1 . . . . 50 I HB . 16398 1 519 . 1 1 50 50 ILE HD11 H 1 1.026 0.02 . 1 . . . . 50 I HD11 . 16398 1 520 . 1 1 50 50 ILE HD12 H 1 1.026 0.02 . 1 . . . . 50 I HD11 . 16398 1 521 . 1 1 50 50 ILE HD13 H 1 1.026 0.02 . 1 . . . . 50 I HD11 . 16398 1 522 . 1 1 50 50 ILE HG12 H 1 2.002 0.02 . 1 . . . . 50 I HG11 . 16398 1 523 . 1 1 50 50 ILE HG13 H 1 1.642 0.02 . 1 . . . . 50 I HG12 . 16398 1 524 . 1 1 50 50 ILE HG21 H 1 1.134 0.02 . 1 . . . . 50 I HG21 . 16398 1 525 . 1 1 50 50 ILE HG22 H 1 1.134 0.02 . 1 . . . . 50 I HG21 . 16398 1 526 . 1 1 50 50 ILE HG23 H 1 1.134 0.02 . 1 . . . . 50 I HG21 . 16398 1 527 . 1 1 50 50 ILE C C 13 177.407 0.04 . 1 . . . . 50 I C . 16398 1 528 . 1 1 50 50 ILE CA C 13 63.893 0.04 . 1 . . . . 50 I CA . 16398 1 529 . 1 1 50 50 ILE CB C 13 36.668 0.04 . 1 . . . . 50 I CB . 16398 1 530 . 1 1 50 50 ILE CD1 C 13 11.563 0.04 . 1 . . . . 50 I CD1 . 16398 1 531 . 1 1 50 50 ILE CG1 C 13 27.863 0.04 . 1 . . . . 50 I CG1 . 16398 1 532 . 1 1 50 50 ILE CG2 C 13 17.184 0.04 . 1 . . . . 50 I CG2 . 16398 1 533 . 1 1 50 50 ILE N N 15 117.237 0.04 . 1 . . . . 50 I N . 16398 1 534 . 1 1 51 51 SER H H 1 7.870 0.02 . 1 . . . . 51 S HN . 16398 1 535 . 1 1 51 51 SER HA H 1 4.203 0.02 . 1 . . . . 51 S HA . 16398 1 536 . 1 1 51 51 SER HB2 H 1 4.066 0.02 . 2 . . . . 51 S HB1 . 16398 1 537 . 1 1 51 51 SER HB3 H 1 4.045 0.02 . 2 . . . . 51 S HB2 . 16398 1 538 . 1 1 51 51 SER C C 13 177.413 0.04 . 1 . . . . 51 S C . 16398 1 539 . 1 1 51 51 SER CA C 13 61.003 0.04 . 1 . . . . 51 S CA . 16398 1 540 . 1 1 51 51 SER CB C 13 62.711 0.04 . 1 . . . . 51 S CB . 16398 1 541 . 1 1 51 51 SER N N 15 113.635 0.04 . 1 . . . . 51 S N . 16398 1 542 . 1 1 52 52 ARG H H 1 8.386 0.02 . 1 . . . . 52 R HN . 16398 1 543 . 1 1 52 52 ARG HA H 1 3.816 0.02 . 1 . . . . 52 R HA . 16398 1 544 . 1 1 52 52 ARG HB2 H 1 1.309 0.02 . 2 . . . . 52 R HB1 . 16398 1 545 . 1 1 52 52 ARG HB3 H 1 0.785 0.02 . 2 . . . . 52 R HB2 . 16398 1 546 . 1 1 52 52 ARG HD2 H 1 2.823 0.02 . 2 . . . . 52 R HD1 . 16398 1 547 . 1 1 52 52 ARG HD3 H 1 2.612 0.02 . 2 . . . . 52 R HD2 . 16398 1 548 . 1 1 52 52 ARG HE H 1 7.769 0.02 . 1 . . . . 52 R HE . 16398 1 549 . 1 1 52 52 ARG HG2 H 1 0.940 0.02 . 2 . . . . 52 R HG1 . 16398 1 550 . 1 1 52 52 ARG HG3 H 1 0.902 0.02 . 2 . . . . 52 R HG2 . 16398 1 551 . 1 1 52 52 ARG C C 13 178.788 0.04 . 1 . . . . 52 R C . 16398 1 552 . 1 1 52 52 ARG CA C 13 58.343 0.04 . 1 . . . . 52 R CA . 16398 1 553 . 1 1 52 52 ARG CB C 13 30.053 0.04 . 1 . . . . 52 R CB . 16398 1 554 . 1 1 52 52 ARG CD C 13 42.698 0.04 . 1 . . . . 52 R CD . 16398 1 555 . 1 1 52 52 ARG CG C 13 27.710 0.04 . 1 . . . . 52 R CG . 16398 1 556 . 1 1 52 52 ARG N N 15 120.787 0.04 . 1 . . . . 52 R N . 16398 1 557 . 1 1 52 52 ARG NE N 15 86.109 0.04 . 1 . . . . 52 R NE . 16398 1 558 . 1 1 53 53 TYR H H 1 7.428 0.02 . 1 . . . . 53 Y HN . 16398 1 559 . 1 1 53 53 TYR HA H 1 4.667 0.02 . 1 . . . . 53 Y HA . 16398 1 560 . 1 1 53 53 TYR HB2 H 1 2.758 0.02 . 2 . . . . 53 Y HB1 . 16398 1 561 . 1 1 53 53 TYR HB3 H 1 2.211 0.02 . 2 . . . . 53 Y HB2 . 16398 1 562 . 1 1 53 53 TYR C C 13 174.743 0.04 . 1 . . . . 53 Y C . 16398 1 563 . 1 1 53 53 TYR CA C 13 57.922 0.04 . 1 . . . . 53 Y CA . 16398 1 564 . 1 1 53 53 TYR CB C 13 38.030 0.04 . 1 . . . . 53 Y CB . 16398 1 565 . 1 1 53 53 TYR N N 15 115.269 0.04 . 1 . . . . 53 Y N . 16398 1 566 . 1 1 54 54 ARG H H 1 7.775 0.02 . 1 . . . . 54 R HN . 16398 1 567 . 1 1 54 54 ARG HA H 1 4.249 0.02 . 1 . . . . 54 R HA . 16398 1 568 . 1 1 54 54 ARG HB2 H 1 2.161 0.02 . 2 . . . . 54 R HB1 . 16398 1 569 . 1 1 54 54 ARG HB3 H 1 2.013 0.02 . 2 . . . . 54 R HB2 . 16398 1 570 . 1 1 54 54 ARG C C 13 177.121 0.04 . 1 . . . . 54 R C . 16398 1 571 . 1 1 54 54 ARG CA C 13 58.720 0.04 . 1 . . . . 54 R CA . 16398 1 572 . 1 1 54 54 ARG CB C 13 29.345 0.04 . 1 . . . . 54 R CB . 16398 1 573 . 1 1 54 54 ARG N N 15 120.518 0.04 . 1 . . . . 54 R N . 16398 1 574 . 1 1 55 55 ARG H H 1 8.319 0.02 . 1 . . . . 55 R HN . 16398 1 575 . 1 1 55 55 ARG HA H 1 4.249 0.02 . 1 . . . . 55 R HA . 16398 1 576 . 1 1 55 55 ARG HB2 H 1 1.935 0.02 . 2 . . . . 55 R HB1 . 16398 1 577 . 1 1 55 55 ARG C C 13 177.395 0.04 . 1 . . . . 55 R C . 16398 1 578 . 1 1 55 55 ARG CA C 13 56.766 0.04 . 1 . . . . 55 R CA . 16398 1 579 . 1 1 55 55 ARG CB C 13 29.231 0.04 . 1 . . . . 55 R CB . 16398 1 580 . 1 1 55 55 ARG N N 15 119.094 0.04 . 1 . . . . 55 R N . 16398 1 581 . 1 1 56 56 LYS H H 1 8.062 0.02 . 1 . . . . 56 K HN . 16398 1 582 . 1 1 56 56 LYS HA H 1 4.069 0.02 . 1 . . . . 56 K HA . 16398 1 583 . 1 1 56 56 LYS HB2 H 1 1.612 0.02 . 2 . . . . 56 K HB1 . 16398 1 584 . 1 1 56 56 LYS HD2 H 1 1.383 0.02 . 2 . . . . 56 K HD1 . 16398 1 585 . 1 1 56 56 LYS HE2 H 1 2.715 0.02 . 2 . . . . 56 K HE1 . 16398 1 586 . 1 1 56 56 LYS HE3 H 1 2.589 0.02 . 2 . . . . 56 K HE2 . 16398 1 587 . 1 1 56 56 LYS HG2 H 1 1.258 0.02 . 2 . . . . 56 K HG1 . 16398 1 588 . 1 1 56 56 LYS C C 13 177.177 0.04 . 1 . . . . 56 K C . 16398 1 589 . 1 1 56 56 LYS CA C 13 56.740 0.04 . 1 . . . . 56 K CA . 16398 1 590 . 1 1 56 56 LYS CB C 13 31.291 0.04 . 1 . . . . 56 K CB . 16398 1 591 . 1 1 56 56 LYS CD C 13 28.360 0.04 . 1 . . . . 56 K CD . 16398 1 592 . 1 1 56 56 LYS CE C 13 41.415 0.04 . 1 . . . . 56 K CE . 16398 1 593 . 1 1 56 56 LYS CG C 13 24.633 0.04 . 1 . . . . 56 K CG . 16398 1 594 . 1 1 56 56 LYS N N 15 121.271 0.04 . 1 . . . . 56 K N . 16398 1 595 . 1 1 57 57 GLY H H 1 8.138 0.02 . 1 . . . . 57 G HN . 16398 1 596 . 1 1 57 57 GLY HA2 H 1 4.055 0.02 . 2 . . . . 57 G HA1 . 16398 1 597 . 1 1 57 57 GLY HA3 H 1 3.766 0.02 . 2 . . . . 57 G HA2 . 16398 1 598 . 1 1 57 57 GLY C C 13 174.196 0.04 . 1 . . . . 57 G C . 16398 1 599 . 1 1 57 57 GLY CA C 13 45.336 0.04 . 1 . . . . 57 G CA . 16398 1 600 . 1 1 57 57 GLY N N 15 108.747 0.04 . 1 . . . . 57 G N . 16398 1 601 . 1 1 58 58 ASP H H 1 7.937 0.02 . 1 . . . . 58 D HN . 16398 1 602 . 1 1 58 58 ASP HA H 1 4.571 0.02 . 1 . . . . 58 D HA . 16398 1 603 . 1 1 58 58 ASP HB2 H 1 2.741 0.02 . 2 . . . . 58 D HB1 . 16398 1 604 . 1 1 58 58 ASP CA C 13 54.548 0.04 . 1 . . . . 58 D CA . 16398 1 605 . 1 1 58 58 ASP CB C 13 40.254 0.04 . 1 . . . . 58 D CB . 16398 1 606 . 1 1 58 58 ASP N N 15 121.456 0.04 . 1 . . . . 58 D N . 16398 1 607 . 1 1 59 59 ALA H H 1 8.150 0.02 . 1 . . . . 59 A HN . 16398 1 608 . 1 1 59 59 ALA HA H 1 4.178 0.02 . 1 . . . . 59 A HA . 16398 1 609 . 1 1 59 59 ALA HB1 H 1 1.275 0.02 . 1 . . . . 59 A HB1 . 16398 1 610 . 1 1 59 59 ALA HB2 H 1 1.275 0.02 . 1 . . . . 59 A HB1 . 16398 1 611 . 1 1 59 59 ALA HB3 H 1 1.275 0.02 . 1 . . . . 59 A HB1 . 16398 1 612 . 1 1 59 59 ALA C C 13 177.927 0.04 . 1 . . . . 59 A C . 16398 1 613 . 1 1 59 59 ALA CA C 13 52.751 0.04 . 1 . . . . 59 A CA . 16398 1 614 . 1 1 59 59 ALA CB C 13 18.062 0.04 . 1 . . . . 59 A CB . 16398 1 615 . 1 1 59 59 ALA N N 15 123.316 0.04 . 1 . . . . 59 A N . 16398 1 616 . 1 1 60 60 GLY H H 1 8.190 0.02 . 1 . . . . 60 G HN . 16398 1 617 . 1 1 60 60 GLY HA2 H 1 3.954 0.02 . 2 . . . . 60 G HA1 . 16398 1 618 . 1 1 60 60 GLY HA3 H 1 3.962 0.02 . 2 . . . . 60 G HA2 . 16398 1 619 . 1 1 60 60 GLY C C 13 174.572 0.04 . 1 . . . . 60 G C . 16398 1 620 . 1 1 60 60 GLY CA C 13 45.301 0.04 . 1 . . . . 60 G CA . 16398 1 621 . 1 1 60 60 GLY N N 15 107.588 0.04 . 1 . . . . 60 G N . 16398 1 622 . 1 1 61 61 GLY H H 1 8.014 0.02 . 1 . . . . 61 G HN . 16398 1 623 . 1 1 61 61 GLY HA2 H 1 4.068 0.02 . 2 . . . . 61 G HA1 . 16398 1 624 . 1 1 61 61 GLY HA3 H 1 3.882 0.02 . 2 . . . . 61 G HA2 . 16398 1 625 . 1 1 61 61 GLY C C 13 173.560 0.04 . 1 . . . . 61 G C . 16398 1 626 . 1 1 61 61 GLY CA C 13 44.784 0.04 . 1 . . . . 61 G CA . 16398 1 627 . 1 1 61 61 GLY N N 15 108.839 0.04 . 1 . . . . 61 G N . 16398 1 628 . 1 1 62 62 LEU H H 1 8.038 0.02 . 1 . . . . 62 L HN . 16398 1 629 . 1 1 62 62 LEU HA H 1 4.528 0.02 . 1 . . . . 62 L HA . 16398 1 630 . 1 1 62 62 LEU HB2 H 1 1.718 0.02 . 2 . . . . 62 L HB1 . 16398 1 631 . 1 1 62 62 LEU HB3 H 1 1.626 0.02 . 2 . . . . 62 L HB2 . 16398 1 632 . 1 1 62 62 LEU HD11 H 1 0.753 0.02 . 2 . . . . 62 L HD11 . 16398 1 633 . 1 1 62 62 LEU HD12 H 1 0.753 0.02 . 2 . . . . 62 L HD11 . 16398 1 634 . 1 1 62 62 LEU HD13 H 1 0.753 0.02 . 2 . . . . 62 L HD11 . 16398 1 635 . 1 1 62 62 LEU HG H 1 0.664 0.02 . 1 . . . . 62 L HG . 16398 1 636 . 1 1 62 62 LEU C C 13 177.058 0.04 . 1 . . . . 62 L C . 16398 1 637 . 1 1 62 62 LEU CA C 13 54.038 0.04 . 1 . . . . 62 L CA . 16398 1 638 . 1 1 62 62 LEU CB C 13 42.254 0.04 . 1 . . . . 62 L CB . 16398 1 639 . 1 1 62 62 LEU CD1 C 13 22.693 0.04 . 1 . . . . 62 L CD1 . 16398 1 640 . 1 1 62 62 LEU CG C 13 24.767 0.04 . 1 . . . . 62 L CG . 16398 1 641 . 1 1 62 62 LEU N N 15 122.191 0.04 . 1 . . . . 62 L N . 16398 1 642 . 1 1 63 63 LYS H H 1 9.378 0.02 . 1 . . . . 63 K HN . 16398 1 643 . 1 1 63 63 LYS HA H 1 4.223 0.02 . 1 . . . . 63 K HA . 16398 1 644 . 1 1 63 63 LYS HB2 H 1 2.005 0.02 . 2 . . . . 63 K HB1 . 16398 1 645 . 1 1 63 63 LYS HB3 H 1 2.013 0.02 . 2 . . . . 63 K HB2 . 16398 1 646 . 1 1 63 63 LYS HG2 H 1 1.604 0.02 . 2 . . . . 63 K HG1 . 16398 1 647 . 1 1 63 63 LYS C C 13 179.928 0.04 . 1 . . . . 63 K C . 16398 1 648 . 1 1 63 63 LYS CA C 13 58.665 0.04 . 1 . . . . 63 K CA . 16398 1 649 . 1 1 63 63 LYS CB C 13 31.663 0.04 . 1 . . . . 63 K CB . 16398 1 650 . 1 1 63 63 LYS CG C 13 24.882 0.04 . 1 . . . . 63 K CG . 16398 1 651 . 1 1 63 63 LYS N N 15 129.582 0.04 . 1 . . . . 63 K N . 16398 1 652 . 1 1 64 64 SER H H 1 10.250 0.02 . 1 . . . . 64 S HN . 16398 1 653 . 1 1 64 64 SER HA H 1 4.169 0.02 . 1 . . . . 64 S HA . 16398 1 654 . 1 1 64 64 SER HB2 H 1 3.799 0.02 . 2 . . . . 64 S HB1 . 16398 1 655 . 1 1 64 64 SER HB3 H 1 3.799 0.02 . 2 . . . . 64 S HB2 . 16398 1 656 . 1 1 64 64 SER C C 13 175.569 0.04 . 1 . . . . 64 S C . 16398 1 657 . 1 1 64 64 SER CA C 13 61.010 0.04 . 1 . . . . 64 S CA . 16398 1 658 . 1 1 64 64 SER N N 15 117.647 0.04 . 1 . . . . 64 S N . 16398 1 659 . 1 1 65 65 PHE H H 1 7.035 0.02 . 1 . . . . 65 F HN . 16398 1 660 . 1 1 65 65 PHE HA H 1 4.444 0.02 . 1 . . . . 65 F HA . 16398 1 661 . 1 1 65 65 PHE HB2 H 1 3.607 0.02 . 2 . . . . 65 F HB1 . 16398 1 662 . 1 1 65 65 PHE HB3 H 1 2.969 0.02 . 2 . . . . 65 F HB2 . 16398 1 663 . 1 1 65 65 PHE C C 13 176.884 0.04 . 1 . . . . 65 F C . 16398 1 664 . 1 1 65 65 PHE CA C 13 61.911 0.04 . 1 . . . . 65 F CA . 16398 1 665 . 1 1 65 65 PHE CB C 13 38.861 0.04 . 1 . . . . 65 F CB . 16398 1 666 . 1 1 65 65 PHE N N 15 123.056 0.04 . 1 . . . . 65 F N . 16398 1 667 . 1 1 66 66 THR H H 1 8.475 0.02 . 1 . . . . 66 T HN . 16398 1 668 . 1 1 66 66 THR HA H 1 3.932 0.02 . 1 . . . . 66 T HA . 16398 1 669 . 1 1 66 66 THR HB H 1 4.362 0.02 . 1 . . . . 66 T HB . 16398 1 670 . 1 1 66 66 THR HG21 H 1 1.386 0.02 . 1 . . . . 66 T HG21 . 16398 1 671 . 1 1 66 66 THR HG22 H 1 1.386 0.02 . 1 . . . . 66 T HG21 . 16398 1 672 . 1 1 66 66 THR HG23 H 1 1.386 0.02 . 1 . . . . 66 T HG21 . 16398 1 673 . 1 1 66 66 THR C C 13 176.884 0.04 . 1 . . . . 66 T C . 16398 1 674 . 1 1 66 66 THR CA C 13 66.236 0.04 . 1 . . . . 66 T CA . 16398 1 675 . 1 1 66 66 THR CB C 13 67.993 0.04 . 1 . . . . 66 T CB . 16398 1 676 . 1 1 66 66 THR CG2 C 13 21.265 0.04 . 1 . . . . 66 T CG2 . 16398 1 677 . 1 1 66 66 THR N N 15 115.996 0.04 . 1 . . . . 66 T N . 16398 1 678 . 1 1 67 67 THR H H 1 8.100 0.02 . 1 . . . . 67 T HN . 16398 1 679 . 1 1 67 67 THR HA H 1 3.979 0.02 . 1 . . . . 67 T HA . 16398 1 680 . 1 1 67 67 THR HB H 1 4.194 0.02 . 1 . . . . 67 T HB . 16398 1 681 . 1 1 67 67 THR HG21 H 1 1.309 0.02 . 1 . . . . 67 T HG21 . 16398 1 682 . 1 1 67 67 THR HG22 H 1 1.309 0.02 . 1 . . . . 67 T HG21 . 16398 1 683 . 1 1 67 67 THR HG23 H 1 1.309 0.02 . 1 . . . . 67 T HG21 . 16398 1 684 . 1 1 67 67 THR CA C 13 66.516 0.04 . 1 . . . . 67 T CA . 16398 1 685 . 1 1 67 67 THR CB C 13 68.188 0.04 . 1 . . . . 67 T CB . 16398 1 686 . 1 1 67 67 THR CG2 C 13 21.724 0.04 . 1 . . . . 67 T CG2 . 16398 1 687 . 1 1 67 67 THR N N 15 120.365 0.04 . 1 . . . . 67 T N . 16398 1 688 . 1 1 68 68 MET H H 1 8.134 0.02 . 1 . . . . 68 M HN . 16398 1 689 . 1 1 68 68 MET HA H 1 4.429 0.02 . 1 . . . . 68 M HA . 16398 1 690 . 1 1 68 68 MET HB2 H 1 2.512 0.02 . 2 . . . . 68 M HB1 . 16398 1 691 . 1 1 68 68 MET HB3 H 1 2.520 0.02 . 2 . . . . 68 M HB2 . 16398 1 692 . 1 1 68 68 MET HE1 H 1 1.613 0.02 . 1 . . . . 68 M HE1 . 16398 1 693 . 1 1 68 68 MET HE2 H 1 1.613 0.02 . 1 . . . . 68 M HE1 . 16398 1 694 . 1 1 68 68 MET HE3 H 1 1.613 0.02 . 1 . . . . 68 M HE1 . 16398 1 695 . 1 1 68 68 MET HG2 H 1 2.877 0.02 . 2 . . . . 68 M HG1 . 16398 1 696 . 1 1 68 68 MET HG3 H 1 2.700 0.02 . 2 . . . . 68 M HG2 . 16398 1 697 . 1 1 68 68 MET C C 13 177.682 0.04 . 1 . . . . 68 M C . 16398 1 698 . 1 1 68 68 MET CA C 13 56.239 0.04 . 1 . . . . 68 M CA . 16398 1 699 . 1 1 68 68 MET CB C 13 30.516 0.04 . 1 . . . . 68 M CB . 16398 1 700 . 1 1 68 68 MET CE C 13 15.579 0.04 . 1 . . . . 68 M CE . 16398 1 701 . 1 1 68 68 MET CG C 13 31.199 0.04 . 1 . . . . 68 M CG . 16398 1 702 . 1 1 68 68 MET N N 15 120.545 0.04 . 1 . . . . 68 M N . 16398 1 703 . 1 1 69 69 GLN H H 1 9.139 0.02 . 1 . . . . 69 Q HN . 16398 1 704 . 1 1 69 69 GLN HA H 1 3.694 0.02 . 1 . . . . 69 Q HA . 16398 1 705 . 1 1 69 69 GLN HB2 H 1 2.003 0.02 . 2 . . . . 69 Q HB1 . 16398 1 706 . 1 1 69 69 GLN HB3 H 1 1.657 0.02 . 2 . . . . 69 Q HB2 . 16398 1 707 . 1 1 69 69 GLN HE21 H 1 7.223 0.02 . 2 . . . . 69 Q HE21 . 16398 1 708 . 1 1 69 69 GLN HE22 H 1 6.971 0.02 . 2 . . . . 69 Q HE22 . 16398 1 709 . 1 1 69 69 GLN HG2 H 1 2.136 0.02 . 2 . . . . 69 Q HG1 . 16398 1 710 . 1 1 69 69 GLN HG3 H 1 2.044 0.02 . 2 . . . . 69 Q HG2 . 16398 1 711 . 1 1 69 69 GLN C C 13 177.433 0.04 . 1 . . . . 69 Q C . 16398 1 712 . 1 1 69 69 GLN CA C 13 59.779 0.04 . 1 . . . . 69 Q CA . 16398 1 713 . 1 1 69 69 GLN CB C 13 28.547 0.04 . 1 . . . . 69 Q CB . 16398 1 714 . 1 1 69 69 GLN CG C 13 34.191 0.04 . 1 . . . . 69 Q CG . 16398 1 715 . 1 1 69 69 GLN N N 15 120.358 0.04 . 1 . . . . 69 Q N . 16398 1 716 . 1 1 69 69 GLN NE2 N 15 111.403 0.04 . 1 . . . . 69 Q NE2 . 16398 1 717 . 1 1 70 70 THR H H 1 7.809 0.02 . 1 . . . . 70 T HN . 16398 1 718 . 1 1 70 70 THR HA H 1 3.979 0.02 . 1 . . . . 70 T HA . 16398 1 719 . 1 1 70 70 THR HB H 1 4.333 0.02 . 1 . . . . 70 T HB . 16398 1 720 . 1 1 70 70 THR HG21 H 1 1.268 0.02 . 1 . . . . 70 T HG21 . 16398 1 721 . 1 1 70 70 THR HG22 H 1 1.268 0.02 . 1 . . . . 70 T HG21 . 16398 1 722 . 1 1 70 70 THR HG23 H 1 1.268 0.02 . 1 . . . . 70 T HG21 . 16398 1 723 . 1 1 70 70 THR C C 13 176.394 0.04 . 1 . . . . 70 T C . 16398 1 724 . 1 1 70 70 THR CA C 13 66.028 0.04 . 1 . . . . 70 T CA . 16398 1 725 . 1 1 70 70 THR CB C 13 68.198 0.04 . 1 . . . . 70 T CB . 16398 1 726 . 1 1 70 70 THR CG2 C 13 21.297 0.04 . 1 . . . . 70 T CG2 . 16398 1 727 . 1 1 70 70 THR N N 15 116.198 0.04 . 1 . . . . 70 T N . 16398 1 728 . 1 1 71 71 ALA H H 1 7.859 0.02 . 1 . . . . 71 A HN . 16398 1 729 . 1 1 71 71 ALA HA H 1 3.994 0.02 . 1 . . . . 71 A HA . 16398 1 730 . 1 1 71 71 ALA HB1 H 1 1.366 0.02 . 1 . . . . 71 A HB1 . 16398 1 731 . 1 1 71 71 ALA HB2 H 1 1.366 0.02 . 1 . . . . 71 A HB1 . 16398 1 732 . 1 1 71 71 ALA HB3 H 1 1.366 0.02 . 1 . . . . 71 A HB1 . 16398 1 733 . 1 1 71 71 ALA CA C 13 54.902 0.04 . 1 . . . . 71 A CA . 16398 1 734 . 1 1 71 71 ALA CB C 13 17.926 0.04 . 1 . . . . 71 A CB . 16398 1 735 . 1 1 71 71 ALA N N 15 126.667 0.04 . 1 . . . . 71 A N . 16398 1 736 . 1 1 72 72 LEU H H 1 9.261 0.02 . 1 . . . . 72 L HN . 16398 1 737 . 1 1 72 72 LEU HA H 1 3.915 0.02 . 1 . . . . 72 L HA . 16398 1 738 . 1 1 72 72 LEU HB2 H 1 1.983 0.02 . 2 . . . . 72 L HB1 . 16398 1 739 . 1 1 72 72 LEU HB3 H 1 1.758 0.02 . 2 . . . . 72 L HB2 . 16398 1 740 . 1 1 72 72 LEU HD11 H 1 1.016 0.02 . 2 . . . . 72 L HD11 . 16398 1 741 . 1 1 72 72 LEU HD12 H 1 1.016 0.02 . 2 . . . . 72 L HD11 . 16398 1 742 . 1 1 72 72 LEU HD13 H 1 1.016 0.02 . 2 . . . . 72 L HD11 . 16398 1 743 . 1 1 72 72 LEU C C 13 179.219 0.04 . 1 . . . . 72 L C . 16398 1 744 . 1 1 72 72 LEU CA C 13 58.406 0.04 . 1 . . . . 72 L CA . 16398 1 745 . 1 1 72 72 LEU CB C 13 38.744 0.04 . 1 . . . . 72 L CB . 16398 1 746 . 1 1 72 72 LEU CD1 C 13 23.265 0.04 . 1 . . . . 72 L CD1 . 16398 1 747 . 1 1 72 72 LEU N N 15 119.657 0.04 . 1 . . . . 72 L N . 16398 1 748 . 1 1 73 73 ASN H H 1 8.542 0.02 . 1 . . . . 73 N HN . 16398 1 749 . 1 1 73 73 ASN HA H 1 4.606 0.02 . 1 . . . . 73 N HA . 16398 1 750 . 1 1 73 73 ASN HB2 H 1 3.050 0.02 . 2 . . . . 73 N HB1 . 16398 1 751 . 1 1 73 73 ASN HB3 H 1 2.829 0.02 . 2 . . . . 73 N HB2 . 16398 1 752 . 1 1 73 73 ASN HD21 H 1 7.625 0.02 . 2 . . . . 73 N HD21 . 16398 1 753 . 1 1 73 73 ASN HD22 H 1 6.882 0.02 . 2 . . . . 73 N HD22 . 16398 1 754 . 1 1 73 73 ASN CA C 13 55.711 0.04 . 1 . . . . 73 N CA . 16398 1 755 . 1 1 73 73 ASN CB C 13 37.398 0.04 . 1 . . . . 73 N CB . 16398 1 756 . 1 1 73 73 ASN N N 15 118.851 0.04 . 1 . . . . 73 N N . 16398 1 757 . 1 1 73 73 ASN ND2 N 15 111.782 0.04 . 1 . . . . 73 N ND2 . 16398 1 758 . 1 1 74 74 SER H H 1 7.849 0.02 . 1 . . . . 74 S HN . 16398 1 759 . 1 1 74 74 SER HA H 1 4.379 0.02 . 1 . . . . 74 S HA . 16398 1 760 . 1 1 74 74 SER HB2 H 1 4.137 0.02 . 2 . . . . 74 S HB1 . 16398 1 761 . 1 1 74 74 SER HB3 H 1 3.907 0.02 . 2 . . . . 74 S HB2 . 16398 1 762 . 1 1 74 74 SER C C 13 175.881 0.04 . 1 . . . . 74 S C . 16398 1 763 . 1 1 74 74 SER CA C 13 61.405 0.04 . 1 . . . . 74 S CA . 16398 1 764 . 1 1 74 74 SER N N 15 118.042 0.04 . 1 . . . . 74 S N . 16398 1 765 . 1 1 75 75 LEU H H 1 8.084 0.02 . 1 . . . . 75 L HN . 16398 1 766 . 1 1 75 75 LEU HA H 1 4.181 0.02 . 1 . . . . 75 L HA . 16398 1 767 . 1 1 75 75 LEU HB2 H 1 1.836 0.02 . 2 . . . . 75 L HB1 . 16398 1 768 . 1 1 75 75 LEU HB3 H 1 1.621 0.02 . 2 . . . . 75 L HB2 . 16398 1 769 . 1 1 75 75 LEU HD11 H 1 0.721 0.02 . 2 . . . . 75 L HD11 . 16398 1 770 . 1 1 75 75 LEU HD12 H 1 0.721 0.02 . 2 . . . . 75 L HD11 . 16398 1 771 . 1 1 75 75 LEU HD13 H 1 0.721 0.02 . 2 . . . . 75 L HD11 . 16398 1 772 . 1 1 75 75 LEU HG H 1 0.942 0.02 . 1 . . . . 75 L HG . 16398 1 773 . 1 1 75 75 LEU C C 13 176.899 0.04 . 1 . . . . 75 L C . 16398 1 774 . 1 1 75 75 LEU CA C 13 56.746 0.04 . 1 . . . . 75 L CA . 16398 1 775 . 1 1 75 75 LEU CB C 13 41.896 0.04 . 1 . . . . 75 L CB . 16398 1 776 . 1 1 75 75 LEU CD1 C 13 22.795 0.04 . 1 . . . . 75 L CD1 . 16398 1 777 . 1 1 75 75 LEU N N 15 124.099 0.04 . 1 . . . . 75 L N . 16398 1 778 . 1 1 76 76 ALA H H 1 8.695 0.02 . 1 . . . . 76 A HN . 16398 1 779 . 1 1 76 76 ALA HA H 1 4.134 0.02 . 1 . . . . 76 A HA . 16398 1 780 . 1 1 76 76 ALA HB1 H 1 1.652 0.02 . 1 . . . . 76 A HB1 . 16398 1 781 . 1 1 76 76 ALA HB2 H 1 1.652 0.02 . 1 . . . . 76 A HB1 . 16398 1 782 . 1 1 76 76 ALA HB3 H 1 1.652 0.02 . 1 . . . . 76 A HB1 . 16398 1 783 . 1 1 76 76 ALA C C 13 180.159 0.04 . 1 . . . . 76 A C . 16398 1 784 . 1 1 76 76 ALA CA C 13 55.315 0.04 . 1 . . . . 76 A CA . 16398 1 785 . 1 1 76 76 ALA CB C 13 17.624 0.04 . 1 . . . . 76 A CB . 16398 1 786 . 1 1 76 76 ALA N N 15 121.934 0.04 . 1 . . . . 76 A N . 16398 1 787 . 1 1 77 77 GLY H H 1 8.198 0.02 . 1 . . . . 77 G HN . 16398 1 788 . 1 1 77 77 GLY HA2 H 1 3.917 0.02 . 2 . . . . 77 G HA1 . 16398 1 789 . 1 1 77 77 GLY HA3 H 1 3.925 0.02 . 2 . . . . 77 G HA2 . 16398 1 790 . 1 1 77 77 GLY C C 13 175.177 0.04 . 1 . . . . 77 G C . 16398 1 791 . 1 1 77 77 GLY CA C 13 46.066 0.04 . 1 . . . . 77 G CA . 16398 1 792 . 1 1 77 77 GLY N N 15 105.613 0.04 . 1 . . . . 77 G N . 16398 1 793 . 1 1 78 78 TYR H H 1 7.973 0.02 . 1 . . . . 78 Y HN . 16398 1 794 . 1 1 78 78 TYR HA H 1 4.326 0.02 . 1 . . . . 78 Y HA . 16398 1 795 . 1 1 78 78 TYR HB2 H 1 3.121 0.02 . 2 . . . . 78 Y HB1 . 16398 1 796 . 1 1 78 78 TYR HB3 H 1 3.143 0.02 . 2 . . . . 78 Y HB2 . 16398 1 797 . 1 1 78 78 TYR C C 13 176.705 0.04 . 1 . . . . 78 Y C . 16398 1 798 . 1 1 78 78 TYR CA C 13 61.280 0.04 . 1 . . . . 78 Y CA . 16398 1 799 . 1 1 78 78 TYR CB C 13 37.737 0.04 . 1 . . . . 78 Y CB . 16398 1 800 . 1 1 78 78 TYR N N 15 123.680 0.04 . 1 . . . . 78 Y N . 16398 1 801 . 1 1 79 79 TYR H H 1 8.347 0.02 . 1 . . . . 79 Y HN . 16398 1 802 . 1 1 79 79 TYR HA H 1 4.750 0.02 . 1 . . . . 79 Y HA . 16398 1 803 . 1 1 79 79 TYR HB2 H 1 3.159 0.02 . 2 . . . . 79 Y HB1 . 16398 1 804 . 1 1 79 79 TYR HB3 H 1 3.116 0.02 . 2 . . . . 79 Y HB2 . 16398 1 805 . 1 1 79 79 TYR C C 13 178.135 0.04 . 1 . . . . 79 Y C . 16398 1 806 . 1 1 79 79 TYR CA C 13 57.389 0.04 . 1 . . . . 79 Y CA . 16398 1 807 . 1 1 79 79 TYR CB C 13 36.796 0.04 . 1 . . . . 79 Y CB . 16398 1 808 . 1 1 79 79 TYR N N 15 119.870 0.04 . 1 . . . . 79 Y N . 16398 1 809 . 1 1 80 80 THR H H 1 8.180 0.02 . 1 . . . . 80 T HN . 16398 1 810 . 1 1 80 80 THR HA H 1 4.208 0.02 . 1 . . . . 80 T HA . 16398 1 811 . 1 1 80 80 THR HB H 1 4.388 0.02 . 1 . . . . 80 T HB . 16398 1 812 . 1 1 80 80 THR HG21 H 1 1.232 0.02 . 1 . . . . 80 T HG21 . 16398 1 813 . 1 1 80 80 THR HG22 H 1 1.232 0.02 . 1 . . . . 80 T HG21 . 16398 1 814 . 1 1 80 80 THR HG23 H 1 1.232 0.02 . 1 . . . . 80 T HG21 . 16398 1 815 . 1 1 80 80 THR C C 13 175.302 0.04 . 1 . . . . 80 T C . 16398 1 816 . 1 1 80 80 THR CA C 13 64.276 0.04 . 1 . . . . 80 T CA . 16398 1 817 . 1 1 80 80 THR CB C 13 69.098 0.04 . 1 . . . . 80 T CB . 16398 1 818 . 1 1 80 80 THR CG2 C 13 20.854 0.04 . 1 . . . . 80 T CG2 . 16398 1 819 . 1 1 80 80 THR N N 15 114.967 0.04 . 1 . . . . 80 T N . 16398 1 820 . 1 1 81 81 SER H H 1 8.027 0.02 . 1 . . . . 81 S HN . 16398 1 821 . 1 1 81 81 SER HA H 1 4.214 0.02 . 1 . . . . 81 S HA . 16398 1 822 . 1 1 81 81 SER HB2 H 1 3.557 0.02 . 2 . . . . 81 S HB1 . 16398 1 823 . 1 1 81 81 SER HB3 H 1 3.299 0.02 . 2 . . . . 81 S HB2 . 16398 1 824 . 1 1 81 81 SER C C 13 174.305 0.04 . 1 . . . . 81 S C . 16398 1 825 . 1 1 81 81 SER CA C 13 60.578 0.04 . 1 . . . . 81 S CA . 16398 1 826 . 1 1 81 81 SER CB C 13 63.385 0.04 . 1 . . . . 81 S CB . 16398 1 827 . 1 1 81 81 SER N N 15 116.664 0.04 . 1 . . . . 81 S N . 16398 1 828 . 1 1 82 82 TYR H H 1 8.396 0.02 . 1 . . . . 82 Y HN . 16398 1 829 . 1 1 82 82 TYR HA H 1 4.612 0.02 . 1 . . . . 82 Y HA . 16398 1 830 . 1 1 82 82 TYR HB2 H 1 3.015 0.02 . 2 . . . . 82 Y HB1 . 16398 1 831 . 1 1 82 82 TYR HB3 H 1 2.294 0.02 . 2 . . . . 82 Y HB2 . 16398 1 832 . 1 1 82 82 TYR C C 13 176.069 0.04 . 1 . . . . 82 Y C . 16398 1 833 . 1 1 82 82 TYR CA C 13 57.676 0.04 . 1 . . . . 82 Y CA . 16398 1 834 . 1 1 82 82 TYR CB C 13 38.160 0.04 . 1 . . . . 82 Y CB . 16398 1 835 . 1 1 82 82 TYR N N 15 119.325 0.04 . 1 . . . . 82 Y N . 16398 1 836 . 1 1 83 83 GLY H H 1 7.982 0.02 . 1 . . . . 83 G HN . 16398 1 837 . 1 1 83 83 GLY HA2 H 1 4.021 0.02 . 2 . . . . 83 G HA1 . 16398 1 838 . 1 1 83 83 GLY HA3 H 1 3.877 0.02 . 2 . . . . 83 G HA2 . 16398 1 839 . 1 1 83 83 GLY C C 13 178.820 0.04 . 1 . . . . 83 G C . 16398 1 840 . 1 1 83 83 GLY CA C 13 46.170 0.04 . 1 . . . . 83 G CA . 16398 1 841 . 1 1 83 83 GLY N N 15 111.287 0.04 . 1 . . . . 83 G N . 16398 1 842 . 1 1 84 84 ALA H H 1 8.505 0.02 . 1 . . . . 84 A HN . 16398 1 843 . 1 1 84 84 ALA HA H 1 4.619 0.02 . 1 . . . . 84 A HA . 16398 1 844 . 1 1 84 84 ALA HB1 H 1 1.379 0.02 . 1 . . . . 84 A HB1 . 16398 1 845 . 1 1 84 84 ALA HB2 H 1 1.379 0.02 . 1 . . . . 84 A HB1 . 16398 1 846 . 1 1 84 84 ALA HB3 H 1 1.379 0.02 . 1 . . . . 84 A HB1 . 16398 1 847 . 1 1 84 84 ALA C C 13 176.933 0.04 . 1 . . . . 84 A C . 16398 1 848 . 1 1 84 84 ALA CA C 13 51.514 0.04 . 1 . . . . 84 A CA . 16398 1 849 . 1 1 84 84 ALA CB C 13 18.109 0.04 . 1 . . . . 84 A CB . 16398 1 850 . 1 1 84 84 ALA N N 15 126.408 0.04 . 1 . . . . 84 A N . 16398 1 851 . 1 1 85 85 ARG H H 1 8.057 0.02 . 1 . . . . 85 R HN . 16398 1 852 . 1 1 85 85 ARG HA H 1 4.696 0.02 . 1 . . . . 85 R HA . 16398 1 853 . 1 1 85 85 ARG HB2 H 1 1.965 0.02 . 2 . . . . 85 R HB1 . 16398 1 854 . 1 1 85 85 ARG CA C 13 53.887 0.04 . 1 . . . . 85 R CA . 16398 1 855 . 1 1 85 85 ARG CB C 13 30.500 0.04 . 1 . . . . 85 R CB . 16398 1 856 . 1 1 85 85 ARG N N 15 123.060 0.04 . 1 . . . . 85 R N . 16398 1 857 . 1 1 86 86 PRO HA H 1 4.426 0.02 . 1 . . . . 86 P HA . 16398 1 858 . 1 1 86 86 PRO HB2 H 1 2.327 0.02 . 2 . . . . 86 P HB1 . 16398 1 859 . 1 1 86 86 PRO HB3 H 1 1.844 0.02 . 2 . . . . 86 P HB2 . 16398 1 860 . 1 1 86 86 PRO HD2 H 1 3.966 0.02 . 2 . . . . 86 P HD1 . 16398 1 861 . 1 1 86 86 PRO HD3 H 1 3.667 0.02 . 2 . . . . 86 P HD2 . 16398 1 862 . 1 1 86 86 PRO CA C 13 62.541 0.04 . 1 . . . . 86 P CA . 16398 1 863 . 1 1 86 86 PRO CB C 13 31.477 0.04 . 1 . . . . 86 P CB . 16398 1 864 . 1 1 87 87 ILE H H 1 8.449 0.02 . 1 . . . . 87 I HN . 16398 1 865 . 1 1 87 87 ILE HA H 1 3.821 0.02 . 1 . . . . 87 I HA . 16398 1 866 . 1 1 87 87 ILE HB H 1 1.602 0.02 . 1 . . . . 87 I HB . 16398 1 867 . 1 1 87 87 ILE HD11 H 1 0.651 0.02 . 1 . . . . 87 I HD11 . 16398 1 868 . 1 1 87 87 ILE HD12 H 1 0.651 0.02 . 1 . . . . 87 I HD11 . 16398 1 869 . 1 1 87 87 ILE HD13 H 1 0.651 0.02 . 1 . . . . 87 I HD11 . 16398 1 870 . 1 1 87 87 ILE HG12 H 1 1.401 0.02 . 1 . . . . 87 I HG11 . 16398 1 871 . 1 1 87 87 ILE HG13 H 1 0.905 0.02 . 1 . . . . 87 I HG12 . 16398 1 872 . 1 1 87 87 ILE HG21 H 1 0.632 0.02 . 1 . . . . 87 I HG21 . 16398 1 873 . 1 1 87 87 ILE HG22 H 1 0.632 0.02 . 1 . . . . 87 I HG21 . 16398 1 874 . 1 1 87 87 ILE HG23 H 1 0.632 0.02 . 1 . . . . 87 I HG21 . 16398 1 875 . 1 1 87 87 ILE CA C 13 58.300 0.04 . 1 . . . . 87 I CA . 16398 1 876 . 1 1 87 87 ILE CB C 13 37.630 0.04 . 1 . . . . 87 I CB . 16398 1 877 . 1 1 87 87 ILE CD1 C 13 12.457 0.04 . 1 . . . . 87 I CD1 . 16398 1 878 . 1 1 87 87 ILE CG1 C 13 27.673 0.04 . 1 . . . . 87 I CG1 . 16398 1 879 . 1 1 87 87 ILE CG2 C 13 16.436 0.04 . 1 . . . . 87 I CG2 . 16398 1 880 . 1 1 87 87 ILE N N 15 125.558 0.04 . 1 . . . . 87 I N . 16398 1 881 . 1 1 88 88 PRO HA H 1 4.425 0.02 . 1 . . . . 88 P HA . 16398 1 882 . 1 1 88 88 PRO HB2 H 1 2.470 0.02 . 2 . . . . 88 P HB1 . 16398 1 883 . 1 1 88 88 PRO HB3 H 1 1.906 0.02 . 2 . . . . 88 P HB2 . 16398 1 884 . 1 1 88 88 PRO C C 13 177.001 0.04 . 1 . . . . 88 P C . 16398 1 885 . 1 1 88 88 PRO CA C 13 62.298 0.04 . 1 . . . . 88 P CA . 16398 1 886 . 1 1 88 88 PRO CB C 13 32.070 0.04 . 1 . . . . 88 P CB . 16398 1 887 . 1 1 89 89 GLU H H 1 8.861 0.02 . 1 . . . . 89 E HN . 16398 1 888 . 1 1 89 89 GLU HA H 1 3.871 0.02 . 1 . . . . 89 E HA . 16398 1 889 . 1 1 89 89 GLU HB2 H 1 2.129 0.02 . 2 . . . . 89 E HB1 . 16398 1 890 . 1 1 89 89 GLU HB3 H 1 2.030 0.02 . 2 . . . . 89 E HB2 . 16398 1 891 . 1 1 89 89 GLU C C 13 177.756 0.04 . 1 . . . . 89 E C . 16398 1 892 . 1 1 89 89 GLU CA C 13 59.711 0.04 . 1 . . . . 89 E CA . 16398 1 893 . 1 1 89 89 GLU CB C 13 29.119 0.04 . 1 . . . . 89 E CB . 16398 1 894 . 1 1 89 89 GLU N N 15 125.518 0.04 . 1 . . . . 89 E N . 16398 1 895 . 1 1 90 90 LYS H H 1 8.827 0.02 . 1 . . . . 90 K HN . 16398 1 896 . 1 1 90 90 LYS HA H 1 3.969 0.02 . 1 . . . . 90 K HA . 16398 1 897 . 1 1 90 90 LYS HB2 H 1 1.839 0.02 . 2 . . . . 90 K HB1 . 16398 1 898 . 1 1 90 90 LYS HB3 H 1 1.734 0.02 . 2 . . . . 90 K HB2 . 16398 1 899 . 1 1 90 90 LYS C C 13 178.672 0.04 . 1 . . . . 90 K C . 16398 1 900 . 1 1 90 90 LYS CA C 13 59.423 0.04 . 1 . . . . 90 K CA . 16398 1 901 . 1 1 90 90 LYS CB C 13 31.820 0.04 . 1 . . . . 90 K CB . 16398 1 902 . 1 1 90 90 LYS N N 15 117.281 0.04 . 1 . . . . 90 K N . 16398 1 903 . 1 1 91 91 LEU H H 1 6.857 0.02 . 1 . . . . 91 L HN . 16398 1 904 . 1 1 91 91 LEU HA H 1 4.212 0.02 . 1 . . . . 91 L HA . 16398 1 905 . 1 1 91 91 LEU HB2 H 1 1.572 0.02 . 2 . . . . 91 L HB1 . 16398 1 906 . 1 1 91 91 LEU HB3 H 1 1.476 0.02 . 2 . . . . 91 L HB2 . 16398 1 907 . 1 1 91 91 LEU HD11 H 1 0.673 0.02 . 2 . . . . 91 L HD11 . 16398 1 908 . 1 1 91 91 LEU HD12 H 1 0.673 0.02 . 2 . . . . 91 L HD11 . 16398 1 909 . 1 1 91 91 LEU HD13 H 1 0.673 0.02 . 2 . . . . 91 L HD11 . 16398 1 910 . 1 1 91 91 LEU HG H 1 1.321 0.02 . 1 . . . . 91 L HG . 16398 1 911 . 1 1 91 91 LEU CA C 13 56.390 0.04 . 1 . . . . 91 L CA . 16398 1 912 . 1 1 91 91 LEU CB C 13 40.627 0.04 . 1 . . . . 91 L CB . 16398 1 913 . 1 1 91 91 LEU CD1 C 13 24.835 0.04 . 1 . . . . 91 L CD1 . 16398 1 914 . 1 1 91 91 LEU CG C 13 26.439 0.04 . 1 . . . . 91 L CG . 16398 1 915 . 1 1 91 91 LEU N N 15 120.818 0.04 . 1 . . . . 91 L N . 16398 1 916 . 1 1 92 92 LYS H H 1 8.156 0.02 . 1 . . . . 92 K HN . 16398 1 917 . 1 1 92 92 LYS HA H 1 3.558 0.02 . 1 . . . . 92 K HA . 16398 1 918 . 1 1 92 92 LYS HB2 H 1 1.841 0.02 . 2 . . . . 92 K HB1 . 16398 1 919 . 1 1 92 92 LYS HB3 H 1 1.742 0.02 . 2 . . . . 92 K HB2 . 16398 1 920 . 1 1 92 92 LYS HD2 H 1 1.694 0.02 . 2 . . . . 92 K HD1 . 16398 1 921 . 1 1 92 92 LYS HE2 H 1 2.987 0.02 . 2 . . . . 92 K HE1 . 16398 1 922 . 1 1 92 92 LYS HE3 H 1 2.932 0.02 . 2 . . . . 92 K HE2 . 16398 1 923 . 1 1 92 92 LYS HG2 H 1 1.330 0.02 . 2 . . . . 92 K HG1 . 16398 1 924 . 1 1 92 92 LYS HG3 H 1 1.126 0.02 . 2 . . . . 92 K HG2 . 16398 1 925 . 1 1 92 92 LYS C C 13 177.480 0.04 . 1 . . . . 92 K C . 16398 1 926 . 1 1 92 92 LYS CA C 13 60.613 0.04 . 1 . . . . 92 K CA . 16398 1 927 . 1 1 92 92 LYS CB C 13 31.812 0.04 . 1 . . . . 92 K CB . 16398 1 928 . 1 1 92 92 LYS CD C 13 28.948 0.04 . 1 . . . . 92 K CD . 16398 1 929 . 1 1 92 92 LYS CE C 13 41.514 0.04 . 1 . . . . 92 K CE . 16398 1 930 . 1 1 92 92 LYS CG C 13 25.200 0.04 . 1 . . . . 92 K CG . 16398 1 931 . 1 1 92 92 LYS N N 15 120.663 0.04 . 1 . . . . 92 K N . 16398 1 932 . 1 1 93 93 LYS H H 1 8.156 0.02 . 1 . . . . 93 K HN . 16398 1 933 . 1 1 93 93 LYS HA H 1 4.032 0.02 . 1 . . . . 93 K HA . 16398 1 934 . 1 1 93 93 LYS HB2 H 1 1.843 0.02 . 2 . . . . 93 K HB1 . 16398 1 935 . 1 1 93 93 LYS HB3 H 1 1.735 0.02 . 2 . . . . 93 K HB2 . 16398 1 936 . 1 1 93 93 LYS C C 13 178.757 0.04 . 1 . . . . 93 K C . 16398 1 937 . 1 1 93 93 LYS CA C 13 58.546 0.04 . 1 . . . . 93 K CA . 16398 1 938 . 1 1 93 93 LYS CB C 13 31.726 0.04 . 1 . . . . 93 K CB . 16398 1 939 . 1 1 93 93 LYS N N 15 116.478 0.04 . 1 . . . . 93 K N . 16398 1 940 . 1 1 94 94 ARG H H 1 7.287 0.02 . 1 . . . . 94 R HN . 16398 1 941 . 1 1 94 94 ARG HA H 1 4.032 0.02 . 1 . . . . 94 R HA . 16398 1 942 . 1 1 94 94 ARG HB2 H 1 1.952 0.02 . 2 . . . . 94 R HB1 . 16398 1 943 . 1 1 94 94 ARG HD2 H 1 3.362 0.02 . 2 . . . . 94 R HD1 . 16398 1 944 . 1 1 94 94 ARG HD3 H 1 3.294 0.02 . 2 . . . . 94 R HD2 . 16398 1 945 . 1 1 94 94 ARG HE H 1 7.438 0.02 . 1 . . . . 94 R HE . 16398 1 946 . 1 1 94 94 ARG HG2 H 1 1.595 0.02 . 2 . . . . 94 R HG1 . 16398 1 947 . 1 1 94 94 ARG HG3 H 1 1.574 0.02 . 2 . . . . 94 R HG2 . 16398 1 948 . 1 1 94 94 ARG C C 13 177.872 0.04 . 1 . . . . 94 R C . 16398 1 949 . 1 1 94 94 ARG CA C 13 58.639 0.04 . 1 . . . . 94 R CA . 16398 1 950 . 1 1 94 94 ARG CB C 13 29.490 0.04 . 1 . . . . 94 R CB . 16398 1 951 . 1 1 94 94 ARG CD C 13 42.819 0.04 . 1 . . . . 94 R CD . 16398 1 952 . 1 1 94 94 ARG CG C 13 26.527 0.04 . 1 . . . . 94 R CG . 16398 1 953 . 1 1 94 94 ARG N N 15 120.980 0.04 . 1 . . . . 94 R N . 16398 1 954 . 1 1 94 94 ARG NE N 15 84.685 0.04 . 1 . . . . 94 R NE . 16398 1 955 . 1 1 95 95 LEU H H 1 8.365 0.02 . 1 . . . . 95 L HN . 16398 1 956 . 1 1 95 95 LEU HA H 1 3.597 0.02 . 1 . . . . 95 L HA . 16398 1 957 . 1 1 95 95 LEU HB2 H 1 1.724 0.02 . 2 . . . . 95 L HB1 . 16398 1 958 . 1 1 95 95 LEU HB3 H 1 0.739 0.02 . 2 . . . . 95 L HB2 . 16398 1 959 . 1 1 95 95 LEU HG H 1 0.701 0.02 . 1 . . . . 95 L HG . 16398 1 960 . 1 1 95 95 LEU C C 13 177.342 0.04 . 1 . . . . 95 L C . 16398 1 961 . 1 1 95 95 LEU CA C 13 57.009 0.04 . 1 . . . . 95 L CA . 16398 1 962 . 1 1 95 95 LEU CB C 13 40.718 0.04 . 1 . . . . 95 L CB . 16398 1 963 . 1 1 95 95 LEU CG C 13 27.034 0.04 . 1 . . . . 95 L CG . 16398 1 964 . 1 1 95 95 LEU N N 15 119.611 0.04 . 1 . . . . 95 L N . 16398 1 965 . 1 1 96 96 GLN H H 1 8.126 0.02 . 1 . . . . 96 Q HN . 16398 1 966 . 1 1 96 96 GLN HA H 1 4.033 0.02 . 1 . . . . 96 Q HA . 16398 1 967 . 1 1 96 96 GLN HB2 H 1 2.229 0.02 . 2 . . . . 96 Q HB1 . 16398 1 968 . 1 1 96 96 GLN HB3 H 1 2.020 0.02 . 2 . . . . 96 Q HB2 . 16398 1 969 . 1 1 96 96 GLN HE21 H 1 7.467 0.02 . 2 . . . . 96 Q HE21 . 16398 1 970 . 1 1 96 96 GLN HG2 H 1 2.656 0.02 . 2 . . . . 96 Q HG1 . 16398 1 971 . 1 1 96 96 GLN HG3 H 1 2.429 0.02 . 2 . . . . 96 Q HG2 . 16398 1 972 . 1 1 96 96 GLN C C 13 179.502 0.04 . 1 . . . . 96 Q C . 16398 1 973 . 1 1 96 96 GLN CA C 13 58.743 0.04 . 1 . . . . 96 Q CA . 16398 1 974 . 1 1 96 96 GLN CB C 13 27.315 0.04 . 1 . . . . 96 Q CB . 16398 1 975 . 1 1 96 96 GLN CG C 13 33.222 0.04 . 1 . . . . 96 Q CG . 16398 1 976 . 1 1 96 96 GLN N N 15 115.986 0.04 . 1 . . . . 96 Q N . 16398 1 977 . 1 1 96 96 GLN NE2 N 15 111.504 0.04 . 1 . . . . 96 Q NE2 . 16398 1 978 . 1 1 97 97 LEU H H 1 7.574 0.02 . 1 . . . . 97 L HN . 16398 1 979 . 1 1 97 97 LEU HA H 1 4.176 0.02 . 1 . . . . 97 L HA . 16398 1 980 . 1 1 97 97 LEU HB2 H 1 1.891 0.02 . 2 . . . . 97 L HB1 . 16398 1 981 . 1 1 97 97 LEU HB3 H 1 1.791 0.02 . 2 . . . . 97 L HB2 . 16398 1 982 . 1 1 97 97 LEU HG H 1 0.945 0.02 . 1 . . . . 97 L HG . 16398 1 983 . 1 1 97 97 LEU CA C 13 57.816 0.04 . 1 . . . . 97 L CA . 16398 1 984 . 1 1 97 97 LEU CB C 13 41.107 0.04 . 1 . . . . 97 L CB . 16398 1 985 . 1 1 97 97 LEU N N 15 121.721 0.04 . 1 . . . . 97 L N . 16398 1 986 . 1 1 98 98 GLU H H 1 8.180 0.02 . 1 . . . . 98 E HN . 16398 1 987 . 1 1 98 98 GLU HA H 1 3.970 0.02 . 1 . . . . 98 E HA . 16398 1 988 . 1 1 98 98 GLU HB2 H 1 1.918 0.02 . 2 . . . . 98 E HB1 . 16398 1 989 . 1 1 98 98 GLU C C 13 178.852 0.04 . 1 . . . . 98 E C . 16398 1 990 . 1 1 98 98 GLU CA C 13 59.074 0.04 . 1 . . . . 98 E CA . 16398 1 991 . 1 1 98 98 GLU CB C 13 28.376 0.04 . 1 . . . . 98 E CB . 16398 1 992 . 1 1 98 98 GLU N N 15 122.418 0.04 . 1 . . . . 98 E N . 16398 1 993 . 1 1 99 99 PHE H H 1 8.995 0.02 . 1 . . . . 99 F HN . 16398 1 994 . 1 1 99 99 PHE HA H 1 4.560 0.02 . 1 . . . . 99 F HA . 16398 1 995 . 1 1 99 99 PHE HB2 H 1 3.223 0.02 . 2 . . . . 99 F HB1 . 16398 1 996 . 1 1 99 99 PHE HB3 H 1 3.199 0.02 . 2 . . . . 99 F HB2 . 16398 1 997 . 1 1 99 99 PHE C C 13 178.050 0.04 . 1 . . . . 99 F C . 16398 1 998 . 1 1 99 99 PHE CA C 13 57.595 0.04 . 1 . . . . 99 F CA . 16398 1 999 . 1 1 99 99 PHE CB C 13 36.788 0.04 . 1 . . . . 99 F CB . 16398 1 1000 . 1 1 99 99 PHE N N 15 118.943 0.04 . 1 . . . . 99 F N . 16398 1 1001 . 1 1 100 100 THR H H 1 7.985 0.02 . 1 . . . . 100 T HN . 16398 1 1002 . 1 1 100 100 THR HA H 1 4.097 0.02 . 1 . . . . 100 T HA . 16398 1 1003 . 1 1 100 100 THR HB H 1 4.358 0.02 . 1 . . . . 100 T HB . 16398 1 1004 . 1 1 100 100 THR HG21 H 1 1.303 0.02 . 1 . . . . 100 T HG21 . 16398 1 1005 . 1 1 100 100 THR HG22 H 1 1.303 0.02 . 1 . . . . 100 T HG21 . 16398 1 1006 . 1 1 100 100 THR HG23 H 1 1.303 0.02 . 1 . . . . 100 T HG21 . 16398 1 1007 . 1 1 100 100 THR CA C 13 66.567 0.04 . 1 . . . . 100 T CA . 16398 1 1008 . 1 1 100 100 THR CB C 13 68.200 0.04 . 1 . . . . 100 T CB . 16398 1 1009 . 1 1 100 100 THR CG2 C 13 21.160 0.04 . 1 . . . . 100 T CG2 . 16398 1 1010 . 1 1 100 100 THR N N 15 117.633 0.04 . 1 . . . . 100 T N . 16398 1 1011 . 1 1 101 101 GLN H H 1 8.160 0.02 . 1 . . . . 101 Q HN . 16398 1 1012 . 1 1 101 101 GLN HA H 1 4.017 0.02 . 1 . . . . 101 Q HA . 16398 1 1013 . 1 1 101 101 GLN HB2 H 1 2.356 0.02 . 2 . . . . 101 Q HB1 . 16398 1 1014 . 1 1 101 101 GLN HB3 H 1 2.203 0.02 . 2 . . . . 101 Q HB2 . 16398 1 1015 . 1 1 101 101 GLN HE21 H 1 7.326 0.02 . 2 . . . . 101 Q HE21 . 16398 1 1016 . 1 1 101 101 GLN HG2 H 1 1.828 0.02 . 2 . . . . 101 Q HG1 . 16398 1 1017 . 1 1 101 101 GLN HG3 H 1 2.195 0.02 . 2 . . . . 101 Q HG2 . 16398 1 1018 . 1 1 101 101 GLN C C 13 179.034 0.04 . 1 . . . . 101 Q C . 16398 1 1019 . 1 1 101 101 GLN CA C 13 58.649 0.04 . 1 . . . . 101 Q CA . 16398 1 1020 . 1 1 101 101 GLN CB C 13 27.541 0.04 . 1 . . . . 101 Q CB . 16398 1 1021 . 1 1 101 101 GLN CG C 13 31.642 0.04 . 1 . . . . 101 Q CG . 16398 1 1022 . 1 1 101 101 GLN N N 15 122.138 0.04 . 1 . . . . 101 Q N . 16398 1 1023 . 1 1 101 101 GLN NE2 N 15 112.482 0.04 . 1 . . . . 101 Q NE2 . 16398 1 1024 . 1 1 102 102 ALA H H 1 8.768 0.02 . 1 . . . . 102 A HN . 16398 1 1025 . 1 1 102 102 ALA HA H 1 4.036 0.02 . 1 . . . . 102 A HA . 16398 1 1026 . 1 1 102 102 ALA HB1 H 1 1.522 0.02 . 1 . . . . 102 A HB1 . 16398 1 1027 . 1 1 102 102 ALA HB2 H 1 1.522 0.02 . 1 . . . . 102 A HB1 . 16398 1 1028 . 1 1 102 102 ALA HB3 H 1 1.522 0.02 . 1 . . . . 102 A HB1 . 16398 1 1029 . 1 1 102 102 ALA C C 13 178.466 0.04 . 1 . . . . 102 A C . 16398 1 1030 . 1 1 102 102 ALA CA C 13 55.525 0.04 . 1 . . . . 102 A CA . 16398 1 1031 . 1 1 102 102 ALA CB C 13 18.046 0.04 . 1 . . . . 102 A CB . 16398 1 1032 . 1 1 102 102 ALA N N 15 124.541 0.04 . 1 . . . . 102 A N . 16398 1 1033 . 1 1 103 103 GLU H H 1 8.552 0.02 . 1 . . . . 103 E HN . 16398 1 1034 . 1 1 103 103 GLU HA H 1 3.680 0.02 . 1 . . . . 103 E HA . 16398 1 1035 . 1 1 103 103 GLU HB2 H 1 2.257 0.02 . 2 . . . . 103 E HB1 . 16398 1 1036 . 1 1 103 103 GLU HB3 H 1 2.265 0.02 . 2 . . . . 103 E HB2 . 16398 1 1037 . 1 1 103 103 GLU HG2 H 1 2.364 0.02 . 2 . . . . 103 E HG1 . 16398 1 1038 . 1 1 103 103 GLU HG3 H 1 2.152 0.02 . 2 . . . . 103 E HG2 . 16398 1 1039 . 1 1 103 103 GLU C C 13 178.447 0.04 . 1 . . . . 103 E C . 16398 1 1040 . 1 1 103 103 GLU CA C 13 59.802 0.04 . 1 . . . . 103 E CA . 16398 1 1041 . 1 1 103 103 GLU CB C 13 29.672 0.04 . 1 . . . . 103 E CB . 16398 1 1042 . 1 1 103 103 GLU CG C 13 35.909 0.04 . 1 . . . . 103 E CG . 16398 1 1043 . 1 1 103 103 GLU N N 15 120.048 0.04 . 1 . . . . 103 E N . 16398 1 1044 . 1 1 104 104 ARG H H 1 8.242 0.02 . 1 . . . . 104 R HN . 16398 1 1045 . 1 1 104 104 ARG HA H 1 4.214 0.02 . 1 . . . . 104 R HA . 16398 1 1046 . 1 1 104 104 ARG HB2 H 1 2.018 0.02 . 2 . . . . 104 R HB1 . 16398 1 1047 . 1 1 104 104 ARG HB3 H 1 1.946 0.02 . 2 . . . . 104 R HB2 . 16398 1 1048 . 1 1 104 104 ARG C C 13 178.958 0.04 . 1 . . . . 104 R C . 16398 1 1049 . 1 1 104 104 ARG CA C 13 58.135 0.04 . 1 . . . . 104 R CA . 16398 1 1050 . 1 1 104 104 ARG CB C 13 29.742 0.04 . 1 . . . . 104 R CB . 16398 1 1051 . 1 1 104 104 ARG N N 15 119.448 0.04 . 1 . . . . 104 R N . 16398 1 1052 . 1 1 105 105 SER H H 1 8.087 0.02 . 1 . . . . 105 S HN . 16398 1 1053 . 1 1 105 105 SER HA H 1 4.290 0.02 . 1 . . . . 105 S HA . 16398 1 1054 . 1 1 105 105 SER HB2 H 1 4.040 0.02 . 2 . . . . 105 S HB1 . 16398 1 1055 . 1 1 105 105 SER HB3 H 1 4.040 0.02 . 2 . . . . 105 S HB2 . 16398 1 1056 . 1 1 105 105 SER CA C 13 61.917 0.04 . 1 . . . . 105 S CA . 16398 1 1057 . 1 1 105 105 SER N N 15 117.329 0.04 . 1 . . . . 105 S N . 16398 1 1058 . 1 1 106 106 ILE H H 1 8.403 0.02 . 1 . . . . 106 I HN . 16398 1 1059 . 1 1 106 106 ILE HA H 1 4.113 0.02 . 1 . . . . 106 I HA . 16398 1 1060 . 1 1 106 106 ILE HB H 1 2.371 0.02 . 1 . . . . 106 I HB . 16398 1 1061 . 1 1 106 106 ILE HD11 H 1 0.850 0.02 . 1 . . . . 106 I HD11 . 16398 1 1062 . 1 1 106 106 ILE HD12 H 1 0.850 0.02 . 1 . . . . 106 I HD11 . 16398 1 1063 . 1 1 106 106 ILE HD13 H 1 0.850 0.02 . 1 . . . . 106 I HD11 . 16398 1 1064 . 1 1 106 106 ILE HG12 H 1 1.840 0.02 . 1 . . . . 106 I HG11 . 16398 1 1065 . 1 1 106 106 ILE HG13 H 1 1.281 0.02 . 1 . . . . 106 I HG12 . 16398 1 1066 . 1 1 106 106 ILE HG21 H 1 0.978 0.02 . 1 . . . . 106 I HG21 . 16398 1 1067 . 1 1 106 106 ILE HG22 H 1 0.978 0.02 . 1 . . . . 106 I HG21 . 16398 1 1068 . 1 1 106 106 ILE HG23 H 1 0.978 0.02 . 1 . . . . 106 I HG21 . 16398 1 1069 . 1 1 106 106 ILE CA C 13 61.487 0.04 . 1 . . . . 106 I CA . 16398 1 1070 . 1 1 106 106 ILE CB C 13 35.600 0.04 . 1 . . . . 106 I CB . 16398 1 1071 . 1 1 106 106 ILE CD1 C 13 10.191 0.04 . 1 . . . . 106 I CD1 . 16398 1 1072 . 1 1 106 106 ILE CG1 C 13 26.891 0.04 . 1 . . . . 106 I CG1 . 16398 1 1073 . 1 1 106 106 ILE CG2 C 13 16.852 0.04 . 1 . . . . 106 I CG2 . 16398 1 1074 . 1 1 106 106 ILE N N 15 124.394 0.04 . 1 . . . . 106 I N . 16398 1 1075 . 1 1 107 107 GLU H H 1 8.187 0.02 . 1 . . . . 107 E HN . 16398 1 1076 . 1 1 107 107 GLU HA H 1 4.126 0.02 . 1 . . . . 107 E HA . 16398 1 1077 . 1 1 107 107 GLU HB2 H 1 2.330 0.02 . 2 . . . . 107 E HB1 . 16398 1 1078 . 1 1 107 107 GLU HB3 H 1 2.199 0.02 . 2 . . . . 107 E HB2 . 16398 1 1079 . 1 1 107 107 GLU C C 13 177.494 0.04 . 1 . . . . 107 E C . 16398 1 1080 . 1 1 107 107 GLU CA C 13 58.849 0.04 . 1 . . . . 107 E CA . 16398 1 1081 . 1 1 107 107 GLU CB C 13 29.052 0.04 . 1 . . . . 107 E CB . 16398 1 1082 . 1 1 107 107 GLU N N 15 123.223 0.04 . 1 . . . . 107 E N . 16398 1 1083 . 1 1 108 108 ARG H H 1 7.651 0.02 . 1 . . . . 108 R HN . 16398 1 1084 . 1 1 108 108 ARG HA H 1 4.431 0.02 . 1 . . . . 108 R HA . 16398 1 1085 . 1 1 108 108 ARG HB2 H 1 2.175 0.02 . 2 . . . . 108 R HB1 . 16398 1 1086 . 1 1 108 108 ARG HB3 H 1 1.912 0.02 . 2 . . . . 108 R HB2 . 16398 1 1087 . 1 1 108 108 ARG HD2 H 1 3.237 0.02 . 2 . . . . 108 R HD1 . 16398 1 1088 . 1 1 108 108 ARG HD3 H 1 3.245 0.02 . 2 . . . . 108 R HD2 . 16398 1 1089 . 1 1 108 108 ARG HG2 H 1 1.845 0.02 . 2 . . . . 108 R HG1 . 16398 1 1090 . 1 1 108 108 ARG C C 13 175.927 0.04 . 1 . . . . 108 R C . 16398 1 1091 . 1 1 108 108 ARG CA C 13 55.584 0.04 . 1 . . . . 108 R CA . 16398 1 1092 . 1 1 108 108 ARG CB C 13 30.806 0.04 . 1 . . . . 108 R CB . 16398 1 1093 . 1 1 108 108 ARG CD C 13 42.884 0.04 . 1 . . . . 108 R CD . 16398 1 1094 . 1 1 108 108 ARG N N 15 117.394 0.04 . 1 . . . . 108 R N . 16398 1 1095 . 1 1 109 109 GLY H H 1 8.190 0.02 . 1 . . . . 109 G HN . 16398 1 1096 . 1 1 109 109 GLY HA2 H 1 4.141 0.02 . 2 . . . . 109 G HA1 . 16398 1 1097 . 1 1 109 109 GLY HA3 H 1 4.060 0.02 . 2 . . . . 109 G HA2 . 16398 1 1098 . 1 1 109 109 GLY C C 13 174.031 0.04 . 1 . . . . 109 G C . 16398 1 1099 . 1 1 109 109 GLY CA C 13 45.823 0.04 . 1 . . . . 109 G CA . 16398 1 1100 . 1 1 109 109 GLY N N 15 110.712 0.04 . 1 . . . . 109 G N . 16398 1 1101 . 1 1 110 110 VAL H H 1 7.999 0.02 . 1 . . . . 110 V HN . 16398 1 1102 . 1 1 110 110 VAL HA H 1 4.465 0.02 . 1 . . . . 110 V HA . 16398 1 1103 . 1 1 110 110 VAL HB H 1 2.559 0.02 . 1 . . . . 110 V HB . 16398 1 1104 . 1 1 110 110 VAL HG11 H 1 0.981 0.02 . 2 . . . . 110 V HG11 . 16398 1 1105 . 1 1 110 110 VAL HG12 H 1 0.981 0.02 . 2 . . . . 110 V HG11 . 16398 1 1106 . 1 1 110 110 VAL HG13 H 1 0.981 0.02 . 2 . . . . 110 V HG11 . 16398 1 1107 . 1 1 110 110 VAL HG21 H 1 0.941 0.02 . 2 . . . . 110 V HG21 . 16398 1 1108 . 1 1 110 110 VAL HG22 H 1 0.941 0.02 . 2 . . . . 110 V HG21 . 16398 1 1109 . 1 1 110 110 VAL HG23 H 1 0.941 0.02 . 2 . . . . 110 V HG21 . 16398 1 1110 . 1 1 110 110 VAL CA C 13 61.176 0.04 . 1 . . . . 110 V CA . 16398 1 1111 . 1 1 110 110 VAL CB C 13 32.361 0.04 . 1 . . . . 110 V CB . 16398 1 1112 . 1 1 110 110 VAL CG1 C 13 19.111 0.04 . 1 . . . . 110 V CG1 . 16398 1 1113 . 1 1 110 110 VAL CG2 C 13 21.808 0.04 . 1 . . . . 110 V CG2 . 16398 1 1114 . 1 1 110 110 VAL N N 15 120.563 0.04 . 1 . . . . 110 V N . 16398 1 stop_ save_