data_17131 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17131 _Entry.Title ; NMR resonance assignment of the N-terminal domain of Latrodectus hesperus (black widow) major ampullate spider silk fibroin 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-16 _Entry.Accession_date 2010-08-16 _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 Horst Kessler . . . 17131 2 Franz Hagn . . . 17131 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Technische University Munich' . 17131 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17131 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 458 17131 '15N chemical shifts' 131 17131 '1H chemical shifts' 496 17131 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 3 . . 2011-01-18 2010-08-16 update BMRB 'update entry citation' 17131 2 . . 2010-12-02 2010-08-16 update BMRB 'update entry citation' 17131 1 . . 2010-11-10 2010-08-16 original author 'original release' 17131 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16249 'NMR Assignment of the C-terminal domain of Araneus diadematus spider silk protein' 17131 PDB 2khm 'Solution Structure of the C-terminal domain of Araneus diadematus spider silk protein' 17131 PDB 3lr2 'Crystal Structure of the N-terminal domain of E. australis spider silk protein' 17131 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17131 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'pH-dependent dimerization and salt-dependent stabilization of the N-terminal domain of spider dragline silk--implications for fiber formation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Angew. Chem. Int. Ed. Engl.' _Citation.Journal_name_full 'Angewandte Chemie (International ed. in English)' _Citation.Journal_volume 50 _Citation.Journal_issue 1 _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 310 _Citation.Page_last 313 _Citation.Year 2011 _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 Franz Hagn . . . 17131 1 2 Christopher Thamm . . . 17131 1 3 Thomas Scheibel . . . 17131 1 4 Horst Kessler . . . 17131 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID biomaterials 17131 1 'circular dichroism' 17131 1 NMR 17131 1 'protein folding' 17131 1 structure 17131 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17131 _Assembly.ID 1 _Assembly.Name 'N-terminal domain of fibroin 1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 N1 1 $N1 A . yes native no no . . . 17131 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3lr2 . . . . . . 17131 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'structural protein' 17131 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_N1 _Entity.Sf_category entity _Entity.Sf_framecode N1 _Entity.Entry_ID 17131 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name N1 _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 ; MGQANTPWSSKANADAFINS FISAASNTGSFSQDQMEDMS LIGNTLMAAMDNMGGRITPS KLQALDMAFASSVAEIAASE GGDLGVTTNAIADALTSAFY QTTGVVNSRFISEIRSLIGM FAQASANDVYAS ; _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 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 2014-05-12 loop_ _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 no GB ABR68856 . "major ampullate spidroin 1 [Latrodectus hesperus]" . . . . . 98.48 3129 100.00 100.00 2.01e-96 . . . . 17131 1 no GB ABR68857 . "major ampullate spidroin 1 [Latrodectus hesperus]" . . . . . 98.48 267 100.00 100.00 6.70e-86 . . . . 17131 1 no GB ABY67402 . "major ampullate spidroin 1 locus 1 [Latrodectus hesperus]" . . . . . 98.48 308 100.00 100.00 3.20e-86 . . . . 17131 1 no GB ABY67406 . "major ampullate spidroin 1 locus 2 [Latrodectus hesperus]" . . . . . 98.48 397 100.00 100.00 1.05e-87 . . . . 17131 1 no GB ABY67410 . "major ampullate spidroin 1 locus 2 [Latrodectus hesperus]" . . . . . 98.48 368 100.00 100.00 2.53e-87 . . . . 17131 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Structural protein' 17131 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 . MET . 17131 1 2 . GLY . 17131 1 3 . GLN . 17131 1 4 . ALA . 17131 1 5 . ASN . 17131 1 6 . THR . 17131 1 7 . PRO . 17131 1 8 . TRP . 17131 1 9 . SER . 17131 1 10 . SER . 17131 1 11 . LYS . 17131 1 12 . ALA . 17131 1 13 . ASN . 17131 1 14 . ALA . 17131 1 15 . ASP . 17131 1 16 . ALA . 17131 1 17 . PHE . 17131 1 18 . ILE . 17131 1 19 . ASN . 17131 1 20 . SER . 17131 1 21 . PHE . 17131 1 22 . ILE . 17131 1 23 . SER . 17131 1 24 . ALA . 17131 1 25 . ALA . 17131 1 26 . SER . 17131 1 27 . ASN . 17131 1 28 . THR . 17131 1 29 . GLY . 17131 1 30 . SER . 17131 1 31 . PHE . 17131 1 32 . SER . 17131 1 33 . GLN . 17131 1 34 . ASP . 17131 1 35 . GLN . 17131 1 36 . MET . 17131 1 37 . GLU . 17131 1 38 . ASP . 17131 1 39 . MET . 17131 1 40 . SER . 17131 1 41 . LEU . 17131 1 42 . ILE . 17131 1 43 . GLY . 17131 1 44 . ASN . 17131 1 45 . THR . 17131 1 46 . LEU . 17131 1 47 . MET . 17131 1 48 . ALA . 17131 1 49 . ALA . 17131 1 50 . MET . 17131 1 51 . ASP . 17131 1 52 . ASN . 17131 1 53 . MET . 17131 1 54 . GLY . 17131 1 55 . GLY . 17131 1 56 . ARG . 17131 1 57 . ILE . 17131 1 58 . THR . 17131 1 59 . PRO . 17131 1 60 . SER . 17131 1 61 . LYS . 17131 1 62 . LEU . 17131 1 63 . GLN . 17131 1 64 . ALA . 17131 1 65 . LEU . 17131 1 66 . ASP . 17131 1 67 . MET . 17131 1 68 . ALA . 17131 1 69 . PHE . 17131 1 70 . ALA . 17131 1 71 . SER . 17131 1 72 . SER . 17131 1 73 . VAL . 17131 1 74 . ALA . 17131 1 75 . GLU . 17131 1 76 . ILE . 17131 1 77 . ALA . 17131 1 78 . ALA . 17131 1 79 . SER . 17131 1 80 . GLU . 17131 1 81 . GLY . 17131 1 82 . GLY . 17131 1 83 . ASP . 17131 1 84 . LEU . 17131 1 85 . GLY . 17131 1 86 . VAL . 17131 1 87 . THR . 17131 1 88 . THR . 17131 1 89 . ASN . 17131 1 90 . ALA . 17131 1 91 . ILE . 17131 1 92 . ALA . 17131 1 93 . ASP . 17131 1 94 . ALA . 17131 1 95 . LEU . 17131 1 96 . THR . 17131 1 97 . SER . 17131 1 98 . ALA . 17131 1 99 . PHE . 17131 1 100 . TYR . 17131 1 101 . GLN . 17131 1 102 . THR . 17131 1 103 . THR . 17131 1 104 . GLY . 17131 1 105 . VAL . 17131 1 106 . VAL . 17131 1 107 . ASN . 17131 1 108 . SER . 17131 1 109 . ARG . 17131 1 110 . PHE . 17131 1 111 . ILE . 17131 1 112 . SER . 17131 1 113 . GLU . 17131 1 114 . ILE . 17131 1 115 . ARG . 17131 1 116 . SER . 17131 1 117 . LEU . 17131 1 118 . ILE . 17131 1 119 . GLY . 17131 1 120 . MET . 17131 1 121 . PHE . 17131 1 122 . ALA . 17131 1 123 . GLN . 17131 1 124 . ALA . 17131 1 125 . SER . 17131 1 126 . ALA . 17131 1 127 . ASN . 17131 1 128 . ASP . 17131 1 129 . VAL . 17131 1 130 . TYR . 17131 1 131 . ALA . 17131 1 132 . SER . 17131 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17131 1 . GLY 2 2 17131 1 . GLN 3 3 17131 1 . ALA 4 4 17131 1 . ASN 5 5 17131 1 . THR 6 6 17131 1 . PRO 7 7 17131 1 . TRP 8 8 17131 1 . SER 9 9 17131 1 . SER 10 10 17131 1 . LYS 11 11 17131 1 . ALA 12 12 17131 1 . ASN 13 13 17131 1 . ALA 14 14 17131 1 . ASP 15 15 17131 1 . ALA 16 16 17131 1 . PHE 17 17 17131 1 . ILE 18 18 17131 1 . ASN 19 19 17131 1 . SER 20 20 17131 1 . PHE 21 21 17131 1 . ILE 22 22 17131 1 . SER 23 23 17131 1 . ALA 24 24 17131 1 . ALA 25 25 17131 1 . SER 26 26 17131 1 . ASN 27 27 17131 1 . THR 28 28 17131 1 . GLY 29 29 17131 1 . SER 30 30 17131 1 . PHE 31 31 17131 1 . SER 32 32 17131 1 . GLN 33 33 17131 1 . ASP 34 34 17131 1 . GLN 35 35 17131 1 . MET 36 36 17131 1 . GLU 37 37 17131 1 . ASP 38 38 17131 1 . MET 39 39 17131 1 . SER 40 40 17131 1 . LEU 41 41 17131 1 . ILE 42 42 17131 1 . GLY 43 43 17131 1 . ASN 44 44 17131 1 . THR 45 45 17131 1 . LEU 46 46 17131 1 . MET 47 47 17131 1 . ALA 48 48 17131 1 . ALA 49 49 17131 1 . MET 50 50 17131 1 . ASP 51 51 17131 1 . ASN 52 52 17131 1 . MET 53 53 17131 1 . GLY 54 54 17131 1 . GLY 55 55 17131 1 . ARG 56 56 17131 1 . ILE 57 57 17131 1 . THR 58 58 17131 1 . PRO 59 59 17131 1 . SER 60 60 17131 1 . LYS 61 61 17131 1 . LEU 62 62 17131 1 . GLN 63 63 17131 1 . ALA 64 64 17131 1 . LEU 65 65 17131 1 . ASP 66 66 17131 1 . MET 67 67 17131 1 . ALA 68 68 17131 1 . PHE 69 69 17131 1 . ALA 70 70 17131 1 . SER 71 71 17131 1 . SER 72 72 17131 1 . VAL 73 73 17131 1 . ALA 74 74 17131 1 . GLU 75 75 17131 1 . ILE 76 76 17131 1 . ALA 77 77 17131 1 . ALA 78 78 17131 1 . SER 79 79 17131 1 . GLU 80 80 17131 1 . GLY 81 81 17131 1 . GLY 82 82 17131 1 . ASP 83 83 17131 1 . LEU 84 84 17131 1 . GLY 85 85 17131 1 . VAL 86 86 17131 1 . THR 87 87 17131 1 . THR 88 88 17131 1 . ASN 89 89 17131 1 . ALA 90 90 17131 1 . ILE 91 91 17131 1 . ALA 92 92 17131 1 . ASP 93 93 17131 1 . ALA 94 94 17131 1 . LEU 95 95 17131 1 . THR 96 96 17131 1 . SER 97 97 17131 1 . ALA 98 98 17131 1 . PHE 99 99 17131 1 . TYR 100 100 17131 1 . GLN 101 101 17131 1 . THR 102 102 17131 1 . THR 103 103 17131 1 . GLY 104 104 17131 1 . VAL 105 105 17131 1 . VAL 106 106 17131 1 . ASN 107 107 17131 1 . SER 108 108 17131 1 . ARG 109 109 17131 1 . PHE 110 110 17131 1 . ILE 111 111 17131 1 . SER 112 112 17131 1 . GLU 113 113 17131 1 . ILE 114 114 17131 1 . ARG 115 115 17131 1 . SER 116 116 17131 1 . LEU 117 117 17131 1 . ILE 118 118 17131 1 . GLY 119 119 17131 1 . MET 120 120 17131 1 . PHE 121 121 17131 1 . ALA 122 122 17131 1 . GLN 123 123 17131 1 . ALA 124 124 17131 1 . SER 125 125 17131 1 . ALA 126 126 17131 1 . ASN 127 127 17131 1 . ASP 128 128 17131 1 . VAL 129 129 17131 1 . TYR 130 130 17131 1 . ALA 131 131 17131 1 . SER 132 132 17131 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 17131 _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 $N1 . 256737 organism . 'Latrodectus hesperus' 'black widow spider' . . Eukaryota Metazoa Latrodectus hesperus . . . . . . . . . . . . . . . . . . 'N-terminal domain of major ampullate spidroin 1 of Latrodectus hesperus' . . 17131 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 17131 _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 $N1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pET28a . . . 'Gene cloned into BamHI/NdeI restriction ites resulting in an N-terminally fused His6-tag and a preceeding Thrombin cleavage site' . . 17131 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17131 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10mM sodium phosphate pH7.2, 300mM NaCl, 5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 17131 1 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 17131 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17131 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17131 1 5 N1 '[U-99% 13C; U-99% 15N]' . . 1 $N1 . . 0.85 . . mM . . . . 17131 1 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 17131 _Sample_condition_list.ID 1 _Sample_condition_list.Details '800 uM protein solution' 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' 0.32 . M 17131 1 pH 7.2 . pH 17131 1 pressure 1 . atm 17131 1 temperature 298 . K 17131 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17131 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17131 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17131 1 processing 17131 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17131 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17131 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17131 2 'data analysis' 17131 2 stop_ save_ save_PASTA _Software.Sf_category software _Software.Sf_framecode PASTA _Software.Entry_ID 17131 _Software.ID 3 _Software.Name PASTA _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kessler and Gemmercker' . . 17131 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17131 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17131 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 17131 _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 Avance . 600 . . . 17131 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 17131 _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 . . . . . . . . . . . . . . . . 17131 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17131 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17131 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17131 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17131 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17131 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17131 1 8 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17131 1 9 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17131 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17131 1 11 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17131 1 12 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17131 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 17131 _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 na indirect 0.251449530 . . . . . . . . . 17131 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17131 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17131 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 17131 _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' . . . 17131 1 2 '2D 1H-13C HSQC' . . . 17131 1 3 '3D HNCO' . . . 17131 1 4 '3D HNCA' . . . 17131 1 5 '3D HNCACB' . . . 17131 1 6 '3D HN(CO)CA' . . . 17131 1 7 '3D HCCH-TOCSY' . . . 17131 1 8 '3D CCH-TOCSY' . . . 17131 1 9 '3D HNHA' . . . 17131 1 11 '3D HN(CA)CO' . . . 17131 1 12 '3D HN(CO)CACB' . . . 17131 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $PASTA . . 17131 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 MET C C 13 176.72 0.05 . 1 . . . . 1 MET C . 17131 1 2 . 1 1 1 1 MET CA C 13 55.33 0.05 . 1 . . . . 1 MET CA . 17131 1 3 . 1 1 1 1 MET CB C 13 31.74 0.05 . 1 . . . . 1 MET CB . 17131 1 4 . 1 1 1 1 MET CE C 13 16.88 0.05 . 1 . . . . 1 MET CE . 17131 1 5 . 1 1 2 2 GLY H H 1 8.40 0.02 . 1 . . . . 2 GLY H . 17131 1 6 . 1 1 2 2 GLY HA2 H 1 3.87 0.02 . 1 . . . . 2 GLY HA2 . 17131 1 7 . 1 1 2 2 GLY HA3 H 1 3.87 0.02 . 1 . . . . 2 GLY HA3 . 17131 1 8 . 1 1 2 2 GLY C C 13 174.22 0.05 . 1 . . . . 2 GLY C . 17131 1 9 . 1 1 2 2 GLY CA C 13 45.54 0.05 . 1 . . . . 2 GLY CA . 17131 1 10 . 1 1 2 2 GLY N N 15 109.87 0.05 . 1 . . . . 2 GLY N . 17131 1 11 . 1 1 3 3 GLN H H 1 8.15 0.02 . 1 . . . . 3 GLN H . 17131 1 12 . 1 1 3 3 GLN HA H 1 4.25 0.02 . 1 . . . . 3 GLN HA . 17131 1 13 . 1 1 3 3 GLN HB2 H 1 2.03 0.02 . 2 . . . . 3 GLN HB2 . 17131 1 14 . 1 1 3 3 GLN HB3 H 1 1.87 0.02 . 2 . . . . 3 GLN HB3 . 17131 1 15 . 1 1 3 3 GLN HG2 H 1 2.26 0.02 . 1 . . . . 3 GLN HG2 . 17131 1 16 . 1 1 3 3 GLN HG3 H 1 2.26 0.02 . 1 . . . . 3 GLN HG3 . 17131 1 17 . 1 1 3 3 GLN C C 13 175.72 0.05 . 1 . . . . 3 GLN C . 17131 1 18 . 1 1 3 3 GLN CA C 13 55.90 0.05 . 1 . . . . 3 GLN CA . 17131 1 19 . 1 1 3 3 GLN CB C 13 29.36 0.05 . 1 . . . . 3 GLN CB . 17131 1 20 . 1 1 3 3 GLN CG C 13 33.52 0.05 . 1 . . . . 3 GLN CG . 17131 1 21 . 1 1 3 3 GLN N N 15 119.79 0.05 . 1 . . . . 3 GLN N . 17131 1 22 . 1 1 4 4 ALA H H 1 8.17 0.02 . 1 . . . . 4 ALA H . 17131 1 23 . 1 1 4 4 ALA HA H 1 4.14 0.02 . 1 . . . . 4 ALA HA . 17131 1 24 . 1 1 4 4 ALA C C 13 177.45 0.05 . 1 . . . . 4 ALA C . 17131 1 25 . 1 1 4 4 ALA CA C 13 52.66 0.05 . 1 . . . . 4 ALA CA . 17131 1 26 . 1 1 4 4 ALA CB C 13 19.11 0.05 . 1 . . . . 4 ALA CB . 17131 1 27 . 1 1 4 4 ALA N N 15 123.84 0.05 . 1 . . . . 4 ALA N . 17131 1 28 . 1 1 5 5 ASN H H 1 8.32 0.02 . 1 . . . . 5 ASN H . 17131 1 29 . 1 1 5 5 ASN C C 13 174.09 0.05 . 1 . . . . 5 ASN C . 17131 1 30 . 1 1 5 5 ASN CA C 13 52.61 0.05 . 1 . . . . 5 ASN CA . 17131 1 31 . 1 1 5 5 ASN CB C 13 37.97 0.05 . 1 . . . . 5 ASN CB . 17131 1 32 . 1 1 5 5 ASN N N 15 118.23 0.05 . 1 . . . . 5 ASN N . 17131 1 33 . 1 1 6 6 THR H H 1 7.44 0.02 . 1 . . . . 6 THR H . 17131 1 34 . 1 1 6 6 THR HA H 1 4.49 0.02 . 1 . . . . 6 THR HA . 17131 1 35 . 1 1 6 6 THR HB H 1 3.97 0.02 . 1 . . . . 6 THR HB . 17131 1 36 . 1 1 6 6 THR C C 13 172.40 0.05 . 1 . . . . 6 THR C . 17131 1 37 . 1 1 6 6 THR CA C 13 56.72 0.05 . 1 . . . . 6 THR CA . 17131 1 38 . 1 1 6 6 THR CB C 13 69.30 0.05 . 1 . . . . 6 THR CB . 17131 1 39 . 1 1 6 6 THR CG2 C 13 19.18 0.05 . 1 . . . . 6 THR CG2 . 17131 1 40 . 1 1 6 6 THR N N 15 115.43 0.05 . 1 . . . . 6 THR N . 17131 1 41 . 1 1 7 7 PRO HA H 1 3.61 0.02 . 1 . . . . 7 PRO HA . 17131 1 42 . 1 1 7 7 PRO HB2 H 1 0.29 0.02 . 2 . . . . 7 PRO HB2 . 17131 1 43 . 1 1 7 7 PRO HB3 H 1 -0.29 0.02 . 2 . . . . 7 PRO HB3 . 17131 1 44 . 1 1 7 7 PRO HD2 H 1 2.54 0.02 . 2 . . . . 7 PRO HD2 . 17131 1 45 . 1 1 7 7 PRO HD3 H 1 2.39 0.02 . 2 . . . . 7 PRO HD3 . 17131 1 46 . 1 1 7 7 PRO HG2 H 1 -0.72 0.02 . 2 . . . . 7 PRO HG2 . 17131 1 47 . 1 1 7 7 PRO HG3 H 1 -1.09 0.02 . 2 . . . . 7 PRO HG3 . 17131 1 48 . 1 1 7 7 PRO CA C 13 62.73 0.05 . 1 . . . . 7 PRO CA . 17131 1 49 . 1 1 7 7 PRO CB C 13 30.67 0.05 . 1 . . . . 7 PRO CB . 17131 1 50 . 1 1 7 7 PRO CD C 13 50.40 0.05 . 1 . . . . 7 PRO CD . 17131 1 51 . 1 1 7 7 PRO CG C 13 25.22 0.05 . 1 . . . . 7 PRO CG . 17131 1 52 . 1 1 8 8 TRP H H 1 7.05 0.02 . 1 . . . . 8 TRP H . 17131 1 53 . 1 1 8 8 TRP HA H 1 4.85 0.02 . 1 . . . . 8 TRP HA . 17131 1 54 . 1 1 8 8 TRP HB2 H 1 3.31 0.02 . 2 . . . . 8 TRP HB2 . 17131 1 55 . 1 1 8 8 TRP HB3 H 1 2.92 0.02 . 2 . . . . 8 TRP HB3 . 17131 1 56 . 1 1 8 8 TRP HD1 H 1 6.99 0.02 . 1 . . . . 8 TRP HD1 . 17131 1 57 . 1 1 8 8 TRP HE1 H 1 11.05 0.02 . 1 . . . . 8 TRP HE1 . 17131 1 58 . 1 1 8 8 TRP C C 13 175.78 0.05 . 1 . . . . 8 TRP C . 17131 1 59 . 1 1 8 8 TRP CA C 13 52.60 0.05 . 1 . . . . 8 TRP CA . 17131 1 60 . 1 1 8 8 TRP CB C 13 28.73 0.05 . 1 . . . . 8 TRP CB . 17131 1 61 . 1 1 8 8 TRP N N 15 114.91 0.05 . 1 . . . . 8 TRP N . 17131 1 62 . 1 1 8 8 TRP NE1 N 15 130.55 0.05 . 1 . . . . 8 TRP NE1 . 17131 1 63 . 1 1 9 9 SER H H 1 7.21 0.02 . 1 . . . . 9 SER H . 17131 1 64 . 1 1 9 9 SER HA H 1 3.88 0.02 . 1 . . . . 9 SER HA . 17131 1 65 . 1 1 9 9 SER HB2 H 1 3.94 0.02 . 1 . . . . 9 SER HB2 . 17131 1 66 . 1 1 9 9 SER HB3 H 1 3.94 0.02 . 1 . . . . 9 SER HB3 . 17131 1 67 . 1 1 9 9 SER C C 13 174.57 0.05 . 1 . . . . 9 SER C . 17131 1 68 . 1 1 9 9 SER CA C 13 60.01 0.05 . 1 . . . . 9 SER CA . 17131 1 69 . 1 1 9 9 SER CB C 13 62.89 0.05 . 1 . . . . 9 SER CB . 17131 1 70 . 1 1 9 9 SER N N 15 110.80 0.05 . 1 . . . . 9 SER N . 17131 1 71 . 1 1 10 10 SER H H 1 7.48 0.02 . 1 . . . . 10 SER H . 17131 1 72 . 1 1 10 10 SER HA H 1 4.54 0.02 . 1 . . . . 10 SER HA . 17131 1 73 . 1 1 10 10 SER HB2 H 1 4.18 0.02 . 2 . . . . 10 SER HB2 . 17131 1 74 . 1 1 10 10 SER HB3 H 1 3.88 0.02 . 2 . . . . 10 SER HB3 . 17131 1 75 . 1 1 10 10 SER C C 13 175.34 0.05 . 1 . . . . 10 SER C . 17131 1 76 . 1 1 10 10 SER CA C 13 56.94 0.05 . 1 . . . . 10 SER CA . 17131 1 77 . 1 1 10 10 SER CB C 13 66.14 0.05 . 1 . . . . 10 SER CB . 17131 1 78 . 1 1 10 10 SER N N 15 111.68 0.05 . 1 . . . . 10 SER N . 17131 1 79 . 1 1 11 11 LYS HA H 1 3.89 0.02 . 1 . . . . 11 LYS HA . 17131 1 80 . 1 1 11 11 LYS HB2 H 1 1.72 0.02 . 2 . . . . 11 LYS HB2 . 17131 1 81 . 1 1 11 11 LYS HB3 H 1 1.50 0.02 . 2 . . . . 11 LYS HB3 . 17131 1 82 . 1 1 11 11 LYS CA C 13 60.95 0.05 . 1 . . . . 11 LYS CA . 17131 1 83 . 1 1 11 11 LYS CB C 13 32.07 0.05 . 1 . . . . 11 LYS CB . 17131 1 84 . 1 1 11 11 LYS CD C 13 29.60 0.05 . 1 . . . . 11 LYS CD . 17131 1 85 . 1 1 11 11 LYS CE C 13 42.01 0.05 . 1 . . . . 11 LYS CE . 17131 1 86 . 1 1 11 11 LYS CG C 13 26.10 0.05 . 1 . . . . 11 LYS CG . 17131 1 87 . 1 1 12 12 ALA H H 1 8.39 0.02 . 1 . . . . 12 ALA H . 17131 1 88 . 1 1 12 12 ALA HA H 1 4.12 0.02 . 1 . . . . 12 ALA HA . 17131 1 89 . 1 1 12 12 ALA C C 13 181.16 0.05 . 1 . . . . 12 ALA C . 17131 1 90 . 1 1 12 12 ALA CA C 13 55.12 0.05 . 1 . . . . 12 ALA CA . 17131 1 91 . 1 1 12 12 ALA CB C 13 18.23 0.05 . 1 . . . . 12 ALA CB . 17131 1 92 . 1 1 12 12 ALA N N 15 120.16 0.05 . 1 . . . . 12 ALA N . 17131 1 93 . 1 1 13 13 ASN H H 1 8.05 0.02 . 1 . . . . 13 ASN H . 17131 1 94 . 1 1 13 13 ASN HA H 1 4.36 0.02 . 1 . . . . 13 ASN HA . 17131 1 95 . 1 1 13 13 ASN HB2 H 1 2.77 0.02 . 2 . . . . 13 ASN HB2 . 17131 1 96 . 1 1 13 13 ASN HB3 H 1 2.65 0.02 . 2 . . . . 13 ASN HB3 . 17131 1 97 . 1 1 13 13 ASN C C 13 177.25 0.05 . 1 . . . . 13 ASN C . 17131 1 98 . 1 1 13 13 ASN CA C 13 56.21 0.05 . 1 . . . . 13 ASN CA . 17131 1 99 . 1 1 13 13 ASN CB C 13 38.25 0.05 . 1 . . . . 13 ASN CB . 17131 1 100 . 1 1 13 13 ASN N N 15 119.11 0.05 . 1 . . . . 13 ASN N . 17131 1 101 . 1 1 14 14 ALA H H 1 8.52 0.02 . 1 . . . . 14 ALA H . 17131 1 102 . 1 1 14 14 ALA HA H 1 4.03 0.02 . 1 . . . . 14 ALA HA . 17131 1 103 . 1 1 14 14 ALA C C 13 178.94 0.05 . 1 . . . . 14 ALA C . 17131 1 104 . 1 1 14 14 ALA CA C 13 55.86 0.05 . 1 . . . . 14 ALA CA . 17131 1 105 . 1 1 14 14 ALA CB C 13 19.77 0.05 . 1 . . . . 14 ALA CB . 17131 1 106 . 1 1 14 14 ALA N N 15 125.25 0.05 . 1 . . . . 14 ALA N . 17131 1 107 . 1 1 15 15 ASP H H 1 8.38 0.02 . 1 . . . . 15 ASP H . 17131 1 108 . 1 1 15 15 ASP HA H 1 4.37 0.02 . 1 . . . . 15 ASP HA . 17131 1 109 . 1 1 15 15 ASP HB2 H 1 2.82 0.02 . 2 . . . . 15 ASP HB2 . 17131 1 110 . 1 1 15 15 ASP HB3 H 1 2.65 0.02 . 2 . . . . 15 ASP HB3 . 17131 1 111 . 1 1 15 15 ASP C C 13 178.27 0.05 . 1 . . . . 15 ASP C . 17131 1 112 . 1 1 15 15 ASP CA C 13 57.42 0.05 . 1 . . . . 15 ASP CA . 17131 1 113 . 1 1 15 15 ASP CB C 13 42.40 0.05 . 1 . . . . 15 ASP CB . 17131 1 114 . 1 1 15 15 ASP N N 15 117.98 0.05 . 1 . . . . 15 ASP N . 17131 1 115 . 1 1 16 16 ALA H H 1 7.68 0.02 . 1 . . . . 16 ALA H . 17131 1 116 . 1 1 16 16 ALA HA H 1 4.16 0.02 . 1 . . . . 16 ALA HA . 17131 1 117 . 1 1 16 16 ALA C C 13 180.79 0.05 . 1 . . . . 16 ALA C . 17131 1 118 . 1 1 16 16 ALA CA C 13 55.19 0.05 . 1 . . . . 16 ALA CA . 17131 1 119 . 1 1 16 16 ALA CB C 13 18.17 0.05 . 1 . . . . 16 ALA CB . 17131 1 120 . 1 1 16 16 ALA N N 15 120.25 0.05 . 1 . . . . 16 ALA N . 17131 1 121 . 1 1 17 17 PHE H H 1 8.67 0.02 . 1 . . . . 17 PHE H . 17131 1 122 . 1 1 17 17 PHE HA H 1 3.77 0.02 . 1 . . . . 17 PHE HA . 17131 1 123 . 1 1 17 17 PHE HB2 H 1 2.94 0.02 . 2 . . . . 17 PHE HB2 . 17131 1 124 . 1 1 17 17 PHE HB3 H 1 2.90 0.02 . 2 . . . . 17 PHE HB3 . 17131 1 125 . 1 1 17 17 PHE HD1 H 1 6.47 0.02 . 1 . . . . 17 PHE HD1 . 17131 1 126 . 1 1 17 17 PHE HD2 H 1 6.47 0.02 . 1 . . . . 17 PHE HD2 . 17131 1 127 . 1 1 17 17 PHE C C 13 176.724 0.05 . 1 . . . . 17 PHE C . 17131 1 128 . 1 1 17 17 PHE CA C 13 62.27 0.05 . 1 . . . . 17 PHE CA . 17131 1 129 . 1 1 17 17 PHE CB C 13 39.43 0.05 . 1 . . . . 17 PHE CB . 17131 1 130 . 1 1 17 17 PHE N N 15 120.96 0.05 . 1 . . . . 17 PHE N . 17131 1 131 . 1 1 18 18 ILE H H 1 8.96 0.02 . 1 . . . . 18 ILE H . 17131 1 132 . 1 1 18 18 ILE HA H 1 3.52 0.02 . 1 . . . . 18 ILE HA . 17131 1 133 . 1 1 18 18 ILE HB H 1 2.15 0.02 . 1 . . . . 18 ILE HB . 17131 1 134 . 1 1 18 18 ILE HG12 H 1 2.07 0.02 . 2 . . . . 18 ILE HG12 . 17131 1 135 . 1 1 18 18 ILE HG13 H 1 1.34 0.02 . 2 . . . . 18 ILE HG13 . 17131 1 136 . 1 1 18 18 ILE C C 13 177.95 0.05 . 1 . . . . 18 ILE C . 17131 1 137 . 1 1 18 18 ILE CA C 13 65.23 0.05 . 1 . . . . 18 ILE CA . 17131 1 138 . 1 1 18 18 ILE CB C 13 37.20 0.05 . 1 . . . . 18 ILE CB . 17131 1 139 . 1 1 18 18 ILE CD1 C 13 13.23 0.05 . 1 . . . . 18 ILE CD1 . 17131 1 140 . 1 1 18 18 ILE CG1 C 13 29.86 0.05 . 1 . . . . 18 ILE CG1 . 17131 1 141 . 1 1 18 18 ILE CG2 C 13 18.11 0.05 . 1 . . . . 18 ILE CG2 . 17131 1 142 . 1 1 18 18 ILE N N 15 119.84 0.05 . 1 . . . . 18 ILE N . 17131 1 143 . 1 1 19 19 ASN H H 1 8.46 0.02 . 1 . . . . 19 ASN H . 17131 1 144 . 1 1 19 19 ASN HA H 1 4.41 0.02 . 1 . . . . 19 ASN HA . 17131 1 145 . 1 1 19 19 ASN HB2 H 1 2.84 0.02 . 2 . . . . 19 ASN HB2 . 17131 1 146 . 1 1 19 19 ASN HB3 H 1 2.67 0.02 . 2 . . . . 19 ASN HB3 . 17131 1 147 . 1 1 19 19 ASN HD21 H 1 6.74 0.02 . 2 . . . . 19 ASN HD21 . 17131 1 148 . 1 1 19 19 ASN HD22 H 1 7.37 0.02 . 2 . . . . 19 ASN HD22 . 17131 1 149 . 1 1 19 19 ASN C C 13 178.70 0.05 . 1 . . . . 19 ASN C . 17131 1 150 . 1 1 19 19 ASN CA C 13 57.17 0.05 . 1 . . . . 19 ASN CA . 17131 1 151 . 1 1 19 19 ASN CB C 13 38.14 0.05 . 1 . . . . 19 ASN CB . 17131 1 152 . 1 1 19 19 ASN N N 15 117.38 0.05 . 1 . . . . 19 ASN N . 17131 1 153 . 1 1 19 19 ASN ND2 N 15 114.50 0.05 . 1 . . . . 19 ASN ND2 . 17131 1 154 . 1 1 20 20 SER H H 1 8.09 0.02 . 1 . . . . 20 SER H . 17131 1 155 . 1 1 20 20 SER HA H 1 4.14 0.02 . 1 . . . . 20 SER HA . 17131 1 156 . 1 1 20 20 SER HB2 H 1 3.83 0.02 . 2 . . . . 20 SER HB2 . 17131 1 157 . 1 1 20 20 SER HB3 H 1 3.74 0.02 . 2 . . . . 20 SER HB3 . 17131 1 158 . 1 1 20 20 SER C C 13 176.50 0.05 . 1 . . . . 20 SER C . 17131 1 159 . 1 1 20 20 SER CA C 13 62.72 0.05 . 1 . . . . 20 SER CA . 17131 1 160 . 1 1 20 20 SER CB C 13 62.99 0.05 . 1 . . . . 20 SER CB . 17131 1 161 . 1 1 20 20 SER N N 15 117.09 0.05 . 1 . . . . 20 SER N . 17131 1 162 . 1 1 21 21 PHE H H 1 8.58 0.02 . 1 . . . . 21 PHE H . 17131 1 163 . 1 1 21 21 PHE HA H 1 3.99 0.02 . 1 . . . . 21 PHE HA . 17131 1 164 . 1 1 21 21 PHE HB2 H 1 3.13 0.02 . 2 . . . . 21 PHE HB2 . 17131 1 165 . 1 1 21 21 PHE HB3 H 1 2.41 0.02 . 2 . . . . 21 PHE HB3 . 17131 1 166 . 1 1 21 21 PHE HD1 H 1 7.26 0.02 . 1 . . . . 21 PHE HD1 . 17131 1 167 . 1 1 21 21 PHE HD2 H 1 7.26 0.02 . 1 . . . . 21 PHE HD2 . 17131 1 168 . 1 1 21 21 PHE HE1 H 1 6.92 0.02 . 1 . . . . 21 PHE HE1 . 17131 1 169 . 1 1 21 21 PHE HE2 H 1 6.92 0.02 . 1 . . . . 21 PHE HE2 . 17131 1 170 . 1 1 21 21 PHE C C 13 178.85 0.05 . 1 . . . . 21 PHE C . 17131 1 171 . 1 1 21 21 PHE CA C 13 60.98 0.05 . 1 . . . . 21 PHE CA . 17131 1 172 . 1 1 21 21 PHE CB C 13 38.30 0.05 . 1 . . . . 21 PHE CB . 17131 1 173 . 1 1 21 21 PHE N N 15 124.35 0.05 . 1 . . . . 21 PHE N . 17131 1 174 . 1 1 22 22 ILE H H 1 8.39 0.02 . 1 . . . . 22 ILE H . 17131 1 175 . 1 1 22 22 ILE HA H 1 3.85 0.02 . 1 . . . . 22 ILE HA . 17131 1 176 . 1 1 22 22 ILE HB H 1 2.42 0.02 . 1 . . . . 22 ILE HB . 17131 1 177 . 1 1 22 22 ILE C C 13 177.00 0.05 . 1 . . . . 22 ILE C . 17131 1 178 . 1 1 22 22 ILE CA C 13 68.67 0.05 . 1 . . . . 22 ILE CA . 17131 1 179 . 1 1 22 22 ILE CB C 13 42.44 0.05 . 1 . . . . 22 ILE CB . 17131 1 180 . 1 1 22 22 ILE CD1 C 13 14.36 0.05 . 1 . . . . 22 ILE CD1 . 17131 1 181 . 1 1 22 22 ILE CG1 C 13 27.88 0.05 . 1 . . . . 22 ILE CG1 . 17131 1 182 . 1 1 22 22 ILE CG2 C 13 17.55 0.05 . 1 . . . . 22 ILE CG2 . 17131 1 183 . 1 1 22 22 ILE N N 15 117.53 0.05 . 1 . . . . 22 ILE N . 17131 1 184 . 1 1 23 23 SER H H 1 7.87 0.02 . 1 . . . . 23 SER H . 17131 1 185 . 1 1 23 23 SER HA H 1 4.23 0.02 . 1 . . . . 23 SER HA . 17131 1 186 . 1 1 23 23 SER HB2 H 1 4.18 0.02 . 2 . . . . 23 SER HB2 . 17131 1 187 . 1 1 23 23 SER HB3 H 1 3.89 0.02 . 2 . . . . 23 SER HB3 . 17131 1 188 . 1 1 23 23 SER C C 13 176.30 0.05 . 1 . . . . 23 SER C . 17131 1 189 . 1 1 23 23 SER CA C 13 61.77 0.05 . 1 . . . . 23 SER CA . 17131 1 190 . 1 1 23 23 SER CB C 13 63.00 0.05 . 1 . . . . 23 SER CB . 17131 1 191 . 1 1 23 23 SER N N 15 115.10 0.05 . 1 . . . . 23 SER N . 17131 1 192 . 1 1 24 24 ALA H H 1 8.14 0.02 . 1 . . . . 24 ALA H . 17131 1 193 . 1 1 24 24 ALA HA H 1 4.10 0.02 . 1 . . . . 24 ALA HA . 17131 1 194 . 1 1 24 24 ALA C C 13 181.18 0.05 . 1 . . . . 24 ALA C . 17131 1 195 . 1 1 24 24 ALA CA C 13 55.09 0.05 . 1 . . . . 24 ALA CA . 17131 1 196 . 1 1 24 24 ALA CB C 13 18.33 0.05 . 1 . . . . 24 ALA CB . 17131 1 197 . 1 1 24 24 ALA N N 15 123.00 0.05 . 1 . . . . 24 ALA N . 17131 1 198 . 1 1 25 25 ALA H H 1 8.94 0.02 . 1 . . . . 25 ALA H . 17131 1 199 . 1 1 25 25 ALA HA H 1 3.84 0.02 . 1 . . . . 25 ALA HA . 17131 1 200 . 1 1 25 25 ALA C C 13 181.47 0.05 . 1 . . . . 25 ALA C . 17131 1 201 . 1 1 25 25 ALA CA C 13 55.48 0.05 . 1 . . . . 25 ALA CA . 17131 1 202 . 1 1 25 25 ALA CB C 13 16.27 0.05 . 1 . . . . 25 ALA CB . 17131 1 203 . 1 1 25 25 ALA N N 15 122.47 0.05 . 1 . . . . 25 ALA N . 17131 1 204 . 1 1 26 26 SER H H 1 8.43 0.02 . 1 . . . . 26 SER H . 17131 1 205 . 1 1 26 26 SER HA H 1 4.19 0.02 . 1 . . . . 26 SER HA . 17131 1 206 . 1 1 26 26 SER HB2 H 1 4.05 0.02 . 1 . . . . 26 SER HB2 . 17131 1 207 . 1 1 26 26 SER HB3 H 1 4.05 0.02 . 1 . . . . 26 SER HB3 . 17131 1 208 . 1 1 26 26 SER C C 13 176.41 0.05 . 1 . . . . 26 SER C . 17131 1 209 . 1 1 26 26 SER CA C 13 61.87 0.05 . 1 . . . . 26 SER CA . 17131 1 210 . 1 1 26 26 SER CB C 13 62.83 0.05 . 1 . . . . 26 SER CB . 17131 1 211 . 1 1 26 26 SER N N 15 116.55 0.05 . 1 . . . . 26 SER N . 17131 1 212 . 1 1 27 27 ASN H H 1 7.57 0.02 . 1 . . . . 27 ASN H . 17131 1 213 . 1 1 27 27 ASN HA H 1 4.65 0.02 . 1 . . . . 27 ASN HA . 17131 1 214 . 1 1 27 27 ASN HB2 H 1 2.90 0.02 . 1 . . . . 27 ASN HB2 . 17131 1 215 . 1 1 27 27 ASN HB3 H 1 2.90 0.02 . 1 . . . . 27 ASN HB3 . 17131 1 216 . 1 1 27 27 ASN HD21 H 1 6.84 0.02 . 2 . . . . 27 ASN HD21 . 17131 1 217 . 1 1 27 27 ASN HD22 H 1 7.61 0.02 . 2 . . . . 27 ASN HD22 . 17131 1 218 . 1 1 27 27 ASN C C 13 176.62 0.05 . 1 . . . . 27 ASN C . 17131 1 219 . 1 1 27 27 ASN CA C 13 54.64 0.05 . 1 . . . . 27 ASN CA . 17131 1 220 . 1 1 27 27 ASN CB C 13 39.05 0.05 . 1 . . . . 27 ASN CB . 17131 1 221 . 1 1 27 27 ASN N N 15 117.58 0.05 . 1 . . . . 27 ASN N . 17131 1 222 . 1 1 27 27 ASN ND2 N 15 112.82 0.05 . 1 . . . . 27 ASN ND2 . 17131 1 223 . 1 1 28 28 THR H H 1 7.60 0.02 . 1 . . . . 28 THR H . 17131 1 224 . 1 1 28 28 THR HA H 1 4.19 0.02 . 1 . . . . 28 THR HA . 17131 1 225 . 1 1 28 28 THR HB H 1 4.34 0.02 . 1 . . . . 28 THR HB . 17131 1 226 . 1 1 28 28 THR C C 13 176.59 0.05 . 1 . . . . 28 THR C . 17131 1 227 . 1 1 28 28 THR CA C 13 64.50 0.05 . 1 . . . . 28 THR CA . 17131 1 228 . 1 1 28 28 THR CB C 13 71.13 0.05 . 1 . . . . 28 THR CB . 17131 1 229 . 1 1 28 28 THR CG2 C 13 21.87 0.05 . 1 . . . . 28 THR CG2 . 17131 1 230 . 1 1 28 28 THR N N 15 109.16 0.05 . 1 . . . . 28 THR N . 17131 1 231 . 1 1 29 29 GLY H H 1 7.57 0.02 . 1 . . . . 29 GLY H . 17131 1 232 . 1 1 29 29 GLY HA2 H 1 4.15 0.02 . 2 . . . . 29 GLY HA2 . 17131 1 233 . 1 1 29 29 GLY HA3 H 1 3.95 0.02 . 2 . . . . 29 GLY HA3 . 17131 1 234 . 1 1 29 29 GLY C C 13 175.22 0.05 . 1 . . . . 29 GLY C . 17131 1 235 . 1 1 29 29 GLY CA C 13 46.14 0.05 . 1 . . . . 29 GLY CA . 17131 1 236 . 1 1 29 29 GLY N N 15 108.74 0.05 . 1 . . . . 29 GLY N . 17131 1 237 . 1 1 30 30 SER H H 1 7.81 0.02 . 1 . . . . 30 SER H . 17131 1 238 . 1 1 30 30 SER HA H 1 4.14 0.02 . 1 . . . . 30 SER HA . 17131 1 239 . 1 1 30 30 SER HB2 H 1 3.23 0.02 . 2 . . . . 30 SER HB2 . 17131 1 240 . 1 1 30 30 SER HB3 H 1 2.96 0.02 . 2 . . . . 30 SER HB3 . 17131 1 241 . 1 1 30 30 SER C C 13 172.41 0.05 . 1 . . . . 30 SER C . 17131 1 242 . 1 1 30 30 SER CA C 13 59.80 0.05 . 1 . . . . 30 SER CA . 17131 1 243 . 1 1 30 30 SER CB C 13 64.22 0.05 . 1 . . . . 30 SER CB . 17131 1 244 . 1 1 30 30 SER N N 15 114.80 0.05 . 1 . . . . 30 SER N . 17131 1 245 . 1 1 31 31 PHE H H 1 8.11 0.02 . 1 . . . . 31 PHE H . 17131 1 246 . 1 1 31 31 PHE HA H 1 4.85 0.02 . 1 . . . . 31 PHE HA . 17131 1 247 . 1 1 31 31 PHE HB2 H 1 2.79 0.02 . 2 . . . . 31 PHE HB2 . 17131 1 248 . 1 1 31 31 PHE HB3 H 1 2.60 0.02 . 2 . . . . 31 PHE HB3 . 17131 1 249 . 1 1 31 31 PHE HD1 H 1 6.98 0.02 . 1 . . . . 31 PHE HD1 . 17131 1 250 . 1 1 31 31 PHE HD2 H 1 6.98 0.02 . 1 . . . . 31 PHE HD2 . 17131 1 251 . 1 1 31 31 PHE C C 13 175.62 0.05 . 1 . . . . 31 PHE C . 17131 1 252 . 1 1 31 31 PHE CA C 13 56.43 0.05 . 1 . . . . 31 PHE CA . 17131 1 253 . 1 1 31 31 PHE CB C 13 41.23 0.05 . 1 . . . . 31 PHE CB . 17131 1 254 . 1 1 31 31 PHE N N 15 117.59 0.05 . 1 . . . . 31 PHE N . 17131 1 255 . 1 1 32 32 SER H H 1 9.62 0.02 . 1 . . . . 32 SER H . 17131 1 256 . 1 1 32 32 SER HA H 1 4.46 0.02 . 1 . . . . 32 SER HA . 17131 1 257 . 1 1 32 32 SER HB2 H 1 4.45 0.02 . 2 . . . . 32 SER HB2 . 17131 1 258 . 1 1 32 32 SER HB3 H 1 4.09 0.02 . 2 . . . . 32 SER HB3 . 17131 1 259 . 1 1 32 32 SER C C 13 174.81 0.05 . 1 . . . . 32 SER C . 17131 1 260 . 1 1 32 32 SER CA C 13 57.03 0.05 . 1 . . . . 32 SER CA . 17131 1 261 . 1 1 32 32 SER CB C 13 65.57 0.05 . 1 . . . . 32 SER CB . 17131 1 262 . 1 1 32 32 SER N N 15 120.89 0.05 . 1 . . . . 32 SER N . 17131 1 263 . 1 1 33 33 GLN H H 1 8.99 0.02 . 1 . . . . 33 GLN H . 17131 1 264 . 1 1 33 33 GLN HA H 1 4.00 0.02 . 1 . . . . 33 GLN HA . 17131 1 265 . 1 1 33 33 GLN HB2 H 1 2.10 0.02 . 2 . . . . 33 GLN HB2 . 17131 1 266 . 1 1 33 33 GLN HB3 H 1 2.02 0.02 . 2 . . . . 33 GLN HB3 . 17131 1 267 . 1 1 33 33 GLN HE21 H 1 6.80 0.02 . 2 . . . . 33 GLN HE21 . 17131 1 268 . 1 1 33 33 GLN HE22 H 1 7.72 0.02 . 2 . . . . 33 GLN HE22 . 17131 1 269 . 1 1 33 33 GLN HG2 H 1 2.39 0.02 . 1 . . . . 33 GLN HG2 . 17131 1 270 . 1 1 33 33 GLN HG3 H 1 2.39 0.02 . 1 . . . . 33 GLN HG3 . 17131 1 271 . 1 1 33 33 GLN C C 13 178.47 0.05 . 1 . . . . 33 GLN C . 17131 1 272 . 1 1 33 33 GLN CA C 13 59.47 0.05 . 1 . . . . 33 GLN CA . 17131 1 273 . 1 1 33 33 GLN CB C 13 28.07 0.05 . 1 . . . . 33 GLN CB . 17131 1 274 . 1 1 33 33 GLN CG C 13 33.82 0.05 . 1 . . . . 33 GLN CG . 17131 1 275 . 1 1 33 33 GLN N N 15 120.80 0.05 . 1 . . . . 33 GLN N . 17131 1 276 . 1 1 33 33 GLN NE2 N 15 112.87 0.05 . 1 . . . . 33 GLN NE2 . 17131 1 277 . 1 1 34 34 ASP H H 1 8.19 0.02 . 1 . . . . 34 ASP H . 17131 1 278 . 1 1 34 34 ASP HA H 1 4.30 0.02 . 1 . . . . 34 ASP HA . 17131 1 279 . 1 1 34 34 ASP HB2 H 1 2.67 0.02 . 2 . . . . 34 ASP HB2 . 17131 1 280 . 1 1 34 34 ASP HB3 H 1 2.48 0.02 . 2 . . . . 34 ASP HB3 . 17131 1 281 . 1 1 34 34 ASP C C 13 178.53 0.05 . 1 . . . . 34 ASP C . 17131 1 282 . 1 1 34 34 ASP CA C 13 57.59 0.05 . 1 . . . . 34 ASP CA . 17131 1 283 . 1 1 34 34 ASP CB C 13 40.53 0.05 . 1 . . . . 34 ASP CB . 17131 1 284 . 1 1 34 34 ASP N N 15 118.84 0.05 . 1 . . . . 34 ASP N . 17131 1 285 . 1 1 35 35 GLN H H 1 7.86 0.02 . 1 . . . . 35 GLN H . 17131 1 286 . 1 1 35 35 GLN HA H 1 4.06 0.02 . 1 . . . . 35 GLN HA . 17131 1 287 . 1 1 35 35 GLN HB2 H 1 1.87 0.02 . 2 . . . . 35 GLN HB2 . 17131 1 288 . 1 1 35 35 GLN HB3 H 1 1.64 0.02 . 2 . . . . 35 GLN HB3 . 17131 1 289 . 1 1 35 35 GLN HG2 H 1 2.59 0.02 . 1 . . . . 35 GLN HG2 . 17131 1 290 . 1 1 35 35 GLN HG3 H 1 2.59 0.02 . 1 . . . . 35 GLN HG3 . 17131 1 291 . 1 1 35 35 GLN C C 13 178.89 0.05 . 1 . . . . 35 GLN C . 17131 1 292 . 1 1 35 35 GLN CA C 13 58.95 0.05 . 1 . . . . 35 GLN CA . 17131 1 293 . 1 1 35 35 GLN CB C 13 30.12 0.05 . 1 . . . . 35 GLN CB . 17131 1 294 . 1 1 35 35 GLN CG C 13 35.70 0.05 . 1 . . . . 35 GLN CG . 17131 1 295 . 1 1 35 35 GLN N N 15 118.80 0.05 . 1 . . . . 35 GLN N . 17131 1 296 . 1 1 36 36 MET H H 1 8.36 0.02 . 1 . . . . 36 MET H . 17131 1 297 . 1 1 36 36 MET HA H 1 4.25 0.02 . 1 . . . . 36 MET HA . 17131 1 298 . 1 1 36 36 MET HB2 H 1 2.14 0.02 . 2 . . . . 36 MET HB2 . 17131 1 299 . 1 1 36 36 MET HB3 H 1 1.92 0.02 . 2 . . . . 36 MET HB3 . 17131 1 300 . 1 1 36 36 MET HG2 H 1 2.72 0.02 . 2 . . . . 36 MET HG2 . 17131 1 301 . 1 1 36 36 MET HG3 H 1 2.34 0.02 . 2 . . . . 36 MET HG3 . 17131 1 302 . 1 1 36 36 MET C C 13 180.31 0.05 . 1 . . . . 36 MET C . 17131 1 303 . 1 1 36 36 MET CA C 13 56.20 0.05 . 1 . . . . 36 MET CA . 17131 1 304 . 1 1 36 36 MET CB C 13 29.05 0.05 . 1 . . . . 36 MET CB . 17131 1 305 . 1 1 36 36 MET CE C 13 15.57 0.05 . 1 . . . . 36 MET CE . 17131 1 306 . 1 1 36 36 MET CG C 13 30.11 0.05 . 1 . . . . 36 MET CG . 17131 1 307 . 1 1 36 36 MET N N 15 116.62 0.05 . 1 . . . . 36 MET N . 17131 1 308 . 1 1 37 37 GLU H H 1 8.27 0.02 . 1 . . . . 37 GLU H . 17131 1 309 . 1 1 37 37 GLU HA H 1 4.00 0.02 . 1 . . . . 37 GLU HA . 17131 1 310 . 1 1 37 37 GLU HB2 H 1 2.10 0.02 . 2 . . . . 37 GLU HB2 . 17131 1 311 . 1 1 37 37 GLU HB3 H 1 2.06 0.02 . 2 . . . . 37 GLU HB3 . 17131 1 312 . 1 1 37 37 GLU HG2 H 1 2.39 0.02 . 2 . . . . 37 GLU HG2 . 17131 1 313 . 1 1 37 37 GLU HG3 H 1 2.25 0.02 . 2 . . . . 37 GLU HG3 . 17131 1 314 . 1 1 37 37 GLU C C 13 179.96 0.05 . 1 . . . . 37 GLU C . 17131 1 315 . 1 1 37 37 GLU CA C 13 59.69 0.05 . 1 . . . . 37 GLU CA . 17131 1 316 . 1 1 37 37 GLU CB C 13 28.88 0.05 . 1 . . . . 37 GLU CB . 17131 1 317 . 1 1 37 37 GLU CG C 13 36.42 0.05 . 1 . . . . 37 GLU CG . 17131 1 318 . 1 1 37 37 GLU N N 15 122.90 0.05 . 1 . . . . 37 GLU N . 17131 1 319 . 1 1 38 38 ASP H H 1 7.80 0.02 . 1 . . . . 38 ASP H . 17131 1 320 . 1 1 38 38 ASP HA H 1 4.49 0.02 . 1 . . . . 38 ASP HA . 17131 1 321 . 1 1 38 38 ASP HB2 H 1 2.86 0.02 . 2 . . . . 38 ASP HB2 . 17131 1 322 . 1 1 38 38 ASP HB3 H 1 2.46 0.02 . 2 . . . . 38 ASP HB3 . 17131 1 323 . 1 1 38 38 ASP C C 13 179.93 0.05 . 1 . . . . 38 ASP C . 17131 1 324 . 1 1 38 38 ASP CA C 13 57.60 0.05 . 1 . . . . 38 ASP CA . 17131 1 325 . 1 1 38 38 ASP CB C 13 40.28 0.05 . 1 . . . . 38 ASP CB . 17131 1 326 . 1 1 38 38 ASP N N 15 121.21 0.05 . 1 . . . . 38 ASP N . 17131 1 327 . 1 1 39 39 MET H H 1 8.63 0.02 . 1 . . . . 39 MET H . 17131 1 328 . 1 1 39 39 MET HA H 1 3.86 0.02 . 1 . . . . 39 MET HA . 17131 1 329 . 1 1 39 39 MET HB2 H 1 2.25 0.02 . 2 . . . . 39 MET HB2 . 17131 1 330 . 1 1 39 39 MET HB3 H 1 1.82 0.02 . 2 . . . . 39 MET HB3 . 17131 1 331 . 1 1 39 39 MET HG2 H 1 2.74 0.02 . 2 . . . . 39 MET HG2 . 17131 1 332 . 1 1 39 39 MET HG3 H 1 2.50 0.02 . 2 . . . . 39 MET HG3 . 17131 1 333 . 1 1 39 39 MET C C 13 177.88 0.05 . 1 . . . . 39 MET C . 17131 1 334 . 1 1 39 39 MET CA C 13 59.09 0.05 . 1 . . . . 39 MET CA . 17131 1 335 . 1 1 39 39 MET CB C 13 32.84 0.05 . 1 . . . . 39 MET CB . 17131 1 336 . 1 1 39 39 MET CE C 13 17.55 0.05 . 1 . . . . 39 MET CE . 17131 1 337 . 1 1 39 39 MET CG C 13 33.92 0.05 . 1 . . . . 39 MET CG . 17131 1 338 . 1 1 39 39 MET N N 15 121.40 0.05 . 1 . . . . 39 MET N . 17131 1 339 . 1 1 40 40 SER H H 1 7.79 0.02 . 1 . . . . 40 SER H . 17131 1 340 . 1 1 40 40 SER HA H 1 4.13 0.02 . 1 . . . . 40 SER HA . 17131 1 341 . 1 1 40 40 SER HB2 H 1 4.07 0.02 . 2 . . . . 40 SER HB2 . 17131 1 342 . 1 1 40 40 SER HB3 H 1 3.99 0.02 . 2 . . . . 40 SER HB3 . 17131 1 343 . 1 1 40 40 SER C C 13 175.53 0.05 . 1 . . . . 40 SER C . 17131 1 344 . 1 1 40 40 SER CA C 13 61.61 0.05 . 1 . . . . 40 SER CA . 17131 1 345 . 1 1 40 40 SER CB C 13 62.87 0.05 . 1 . . . . 40 SER CB . 17131 1 346 . 1 1 40 40 SER N N 15 112.94 0.05 . 1 . . . . 40 SER N . 17131 1 347 . 1 1 41 41 LEU H H 1 7.51 0.02 . 1 . . . . 41 LEU H . 17131 1 348 . 1 1 41 41 LEU HA H 1 4.38 0.02 . 1 . . . . 41 LEU HA . 17131 1 349 . 1 1 41 41 LEU HB3 H 1 1.77 0.02 . 2 . . . . 41 LEU HB3 . 17131 1 350 . 1 1 41 41 LEU C C 13 175.70 0.05 . 1 . . . . 41 LEU C . 17131 1 351 . 1 1 41 41 LEU CA C 13 61.61 0.05 . 1 . . . . 41 LEU CA . 17131 1 352 . 1 1 41 41 LEU CB C 13 38.50 0.05 . 1 . . . . 41 LEU CB . 17131 1 353 . 1 1 41 41 LEU N N 15 121.32 0.05 . 1 . . . . 41 LEU N . 17131 1 354 . 1 1 42 42 ILE H H 1 7.74 0.02 . 1 . . . . 42 ILE H . 17131 1 355 . 1 1 42 42 ILE HA H 1 3.88 0.02 . 1 . . . . 42 ILE HA . 17131 1 356 . 1 1 42 42 ILE HB H 1 1.98 0.02 . 1 . . . . 42 ILE HB . 17131 1 357 . 1 1 42 42 ILE HG12 H 1 1.85 0.02 . 2 . . . . 42 ILE HG12 . 17131 1 358 . 1 1 42 42 ILE HG13 H 1 1.65 0.02 . 2 . . . . 42 ILE HG13 . 17131 1 359 . 1 1 42 42 ILE C C 13 178.21 0.05 . 1 . . . . 42 ILE C . 17131 1 360 . 1 1 42 42 ILE CA C 13 64.97 0.05 . 1 . . . . 42 ILE CA . 17131 1 361 . 1 1 42 42 ILE CB C 13 37.94 0.05 . 1 . . . . 42 ILE CB . 17131 1 362 . 1 1 42 42 ILE CD1 C 13 14.02 0.05 . 1 . . . . 42 ILE CD1 . 17131 1 363 . 1 1 42 42 ILE CG1 C 13 29.35 0.05 . 1 . . . . 42 ILE CG1 . 17131 1 364 . 1 1 42 42 ILE CG2 C 13 17.17 0.05 . 1 . . . . 42 ILE CG2 . 17131 1 365 . 1 1 42 42 ILE N N 15 118.95 0.05 . 1 . . . . 42 ILE N . 17131 1 366 . 1 1 43 43 GLY H H 1 8.64 0.02 . 1 . . . . 43 GLY H . 17131 1 367 . 1 1 43 43 GLY HA2 H 1 4.05 0.02 . 2 . . . . 43 GLY HA2 . 17131 1 368 . 1 1 43 43 GLY HA3 H 1 3.74 0.02 . 2 . . . . 43 GLY HA3 . 17131 1 369 . 1 1 43 43 GLY C C 13 175.28 0.05 . 1 . . . . 43 GLY C . 17131 1 370 . 1 1 43 43 GLY CA C 13 47.94 0.05 . 1 . . . . 43 GLY CA . 17131 1 371 . 1 1 43 43 GLY N N 15 107.81 0.05 . 1 . . . . 43 GLY N . 17131 1 372 . 1 1 44 44 ASN H H 1 7.98 0.02 . 1 . . . . 44 ASN H . 17131 1 373 . 1 1 44 44 ASN HA H 1 4.37 0.02 . 1 . . . . 44 ASN HA . 17131 1 374 . 1 1 44 44 ASN HB2 H 1 2.85 0.02 . 1 . . . . 44 ASN HB2 . 17131 1 375 . 1 1 44 44 ASN HB3 H 1 2.85 0.02 . 1 . . . . 44 ASN HB3 . 17131 1 376 . 1 1 44 44 ASN HD21 H 1 7.59 0.02 . 1 . . . . 44 ASN HD21 . 17131 1 377 . 1 1 44 44 ASN HD22 H 1 6.96 0.02 . 1 . . . . 44 ASN HD22 . 17131 1 378 . 1 1 44 44 ASN C C 13 178.45 0.05 . 1 . . . . 44 ASN C . 17131 1 379 . 1 1 44 44 ASN CA C 13 56.52 0.05 . 1 . . . . 44 ASN CA . 17131 1 380 . 1 1 44 44 ASN CB C 13 37.99 0.05 . 1 . . . . 44 ASN CB . 17131 1 381 . 1 1 44 44 ASN N N 15 119.30 0.05 . 1 . . . . 44 ASN N . 17131 1 382 . 1 1 44 44 ASN ND2 N 15 112.34 0.05 . 1 . . . . 44 ASN ND2 . 17131 1 383 . 1 1 45 45 THR H H 1 7.86 0.02 . 1 . . . . 45 THR H . 17131 1 384 . 1 1 45 45 THR HA H 1 3.93 0.02 . 1 . . . . 45 THR HA . 17131 1 385 . 1 1 45 45 THR HB H 1 4.23 0.02 . 1 . . . . 45 THR HB . 17131 1 386 . 1 1 45 45 THR C C 13 176.66 0.05 . 1 . . . . 45 THR C . 17131 1 387 . 1 1 45 45 THR CA C 13 66.20 0.05 . 1 . . . . 45 THR CA . 17131 1 388 . 1 1 45 45 THR CB C 13 68.37 0.05 . 1 . . . . 45 THR CB . 17131 1 389 . 1 1 45 45 THR CG2 C 13 21.67 0.05 . 1 . . . . 45 THR CG2 . 17131 1 390 . 1 1 45 45 THR N N 15 116.95 0.05 . 1 . . . . 45 THR N . 17131 1 391 . 1 1 46 46 LEU CA C 13 61.55 0.05 . 1 . . . . 46 LEU CA . 17131 1 392 . 1 1 47 47 MET H H 1 8.23 0.02 . 1 . . . . 47 MET H . 17131 1 393 . 1 1 47 47 MET HA H 1 4.08 0.02 . 1 . . . . 47 MET HA . 17131 1 394 . 1 1 47 47 MET HB2 H 1 1.87 0.02 . 1 . . . . 47 MET HB2 . 17131 1 395 . 1 1 47 47 MET HB3 H 1 1.87 0.02 . 1 . . . . 47 MET HB3 . 17131 1 396 . 1 1 47 47 MET C C 13 177.78 0.05 . 1 . . . . 47 MET C . 17131 1 397 . 1 1 47 47 MET CA C 13 59.23 0.05 . 1 . . . . 47 MET CA . 17131 1 398 . 1 1 47 47 MET CB C 13 29.18 0.05 . 1 . . . . 47 MET CB . 17131 1 399 . 1 1 47 47 MET CE C 13 19.96 0.05 . 1 . . . . 47 MET CE . 17131 1 400 . 1 1 47 47 MET N N 15 124.81 0.05 . 1 . . . . 47 MET N . 17131 1 401 . 1 1 48 48 ALA H H 1 7.49 0.02 . 1 . . . . 48 ALA H . 17131 1 402 . 1 1 48 48 ALA HA H 1 4.14 0.02 . 1 . . . . 48 ALA HA . 17131 1 403 . 1 1 48 48 ALA C C 13 180.20 0.05 . 1 . . . . 48 ALA C . 17131 1 404 . 1 1 48 48 ALA CA C 13 54.86 0.05 . 1 . . . . 48 ALA CA . 17131 1 405 . 1 1 48 48 ALA CB C 13 17.76 0.05 . 1 . . . . 48 ALA CB . 17131 1 406 . 1 1 48 48 ALA N N 15 120.71 0.05 . 1 . . . . 48 ALA N . 17131 1 407 . 1 1 49 49 ALA H H 1 7.57 0.02 . 1 . . . . 49 ALA H . 17131 1 408 . 1 1 49 49 ALA HA H 1 4.10 0.02 . 1 . . . . 49 ALA HA . 17131 1 409 . 1 1 49 49 ALA C C 13 180.58 0.05 . 1 . . . . 49 ALA C . 17131 1 410 . 1 1 49 49 ALA CA C 13 54.82 0.05 . 1 . . . . 49 ALA CA . 17131 1 411 . 1 1 49 49 ALA CB C 13 17.64 0.05 . 1 . . . . 49 ALA CB . 17131 1 412 . 1 1 49 49 ALA N N 15 120.81 0.05 . 1 . . . . 49 ALA N . 17131 1 413 . 1 1 50 50 MET H H 1 8.12 0.02 . 1 . . . . 50 MET H . 17131 1 414 . 1 1 50 50 MET HA H 1 4.67 0.02 . 1 . . . . 50 MET HA . 17131 1 415 . 1 1 50 50 MET HB3 H 1 2.09 0.02 . 2 . . . . 50 MET HB3 . 17131 1 416 . 1 1 50 50 MET HG2 H 1 2.32 0.02 . 1 . . . . 50 MET HG2 . 17131 1 417 . 1 1 50 50 MET HG3 H 1 2.32 0.02 . 1 . . . . 50 MET HG3 . 17131 1 418 . 1 1 50 50 MET C C 13 178.94 0.05 . 1 . . . . 50 MET C . 17131 1 419 . 1 1 50 50 MET CA C 13 58.86 0.05 . 1 . . . . 50 MET CA . 17131 1 420 . 1 1 50 50 MET CB C 13 32.38 0.05 . 1 . . . . 50 MET CB . 17131 1 421 . 1 1 50 50 MET CE C 13 18.10 0.05 . 1 . . . . 50 MET CE . 17131 1 422 . 1 1 50 50 MET CG C 13 33.72 0.05 . 1 . . . . 50 MET CG . 17131 1 423 . 1 1 50 50 MET N N 15 117.50 0.05 . 1 . . . . 50 MET N . 17131 1 424 . 1 1 51 51 ASP H H 1 8.06 0.02 . 1 . . . . 51 ASP H . 17131 1 425 . 1 1 51 51 ASP HA H 1 4.45 0.02 . 1 . . . . 51 ASP HA . 17131 1 426 . 1 1 51 51 ASP HB2 H 1 2.66 0.02 . 1 . . . . 51 ASP HB2 . 17131 1 427 . 1 1 51 51 ASP HB3 H 1 2.66 0.02 . 1 . . . . 51 ASP HB3 . 17131 1 428 . 1 1 51 51 ASP C C 13 177.86 0.05 . 1 . . . . 51 ASP C . 17131 1 429 . 1 1 51 51 ASP CA C 13 56.91 0.05 . 1 . . . . 51 ASP CA . 17131 1 430 . 1 1 51 51 ASP CB C 13 40.55 0.05 . 1 . . . . 51 ASP CB . 17131 1 431 . 1 1 51 51 ASP N N 15 120.67 0.05 . 1 . . . . 51 ASP N . 17131 1 432 . 1 1 52 52 ASN H H 1 7.78 0.02 . 1 . . . . 52 ASN H . 17131 1 433 . 1 1 52 52 ASN HA H 1 4.61 0.02 . 1 . . . . 52 ASN HA . 17131 1 434 . 1 1 52 52 ASN HB2 H 1 2.82 0.02 . 1 . . . . 52 ASN HB2 . 17131 1 435 . 1 1 52 52 ASN HB3 H 1 2.82 0.02 . 1 . . . . 52 ASN HB3 . 17131 1 436 . 1 1 52 52 ASN HD21 H 1 6.85 0.02 . 2 . . . . 52 ASN HD21 . 17131 1 437 . 1 1 52 52 ASN HD22 H 1 7.47 0.02 . 2 . . . . 52 ASN HD22 . 17131 1 438 . 1 1 52 52 ASN C C 13 175.92 0.05 . 1 . . . . 52 ASN C . 17131 1 439 . 1 1 52 52 ASN CA C 13 54.19 0.05 . 1 . . . . 52 ASN CA . 17131 1 440 . 1 1 52 52 ASN CB C 13 38.99 0.05 . 1 . . . . 52 ASN CB . 17131 1 441 . 1 1 52 52 ASN N N 15 117.05 0.05 . 1 . . . . 52 ASN N . 17131 1 442 . 1 1 52 52 ASN ND2 N 15 112.88 0.05 . 1 . . . . 52 ASN ND2 . 17131 1 443 . 1 1 53 53 MET H H 1 7.70 0.02 . 1 . . . . 53 MET H . 17131 1 444 . 1 1 53 53 MET HA H 1 4.28 0.02 . 1 . . . . 53 MET HA . 17131 1 445 . 1 1 53 53 MET HB2 H 1 2.11 0.02 . 1 . . . . 53 MET HB2 . 17131 1 446 . 1 1 53 53 MET HB3 H 1 2.11 0.02 . 1 . . . . 53 MET HB3 . 17131 1 447 . 1 1 53 53 MET HG2 H 1 2.75 0.02 . 2 . . . . 53 MET HG2 . 17131 1 448 . 1 1 53 53 MET HG3 H 1 2.64 0.02 . 2 . . . . 53 MET HG3 . 17131 1 449 . 1 1 53 53 MET C C 13 177.06 0.05 . 1 . . . . 53 MET C . 17131 1 450 . 1 1 53 53 MET CA C 13 57.06 0.05 . 1 . . . . 53 MET CA . 17131 1 451 . 1 1 53 53 MET CB C 13 33.17 0.05 . 1 . . . . 53 MET CB . 17131 1 452 . 1 1 53 53 MET CE C 13 17.30 0.05 . 1 . . . . 53 MET CE . 17131 1 453 . 1 1 53 53 MET CG C 13 32.14 0.05 . 1 . . . . 53 MET CG . 17131 1 454 . 1 1 53 53 MET N N 15 118.26 0.05 . 1 . . . . 53 MET N . 17131 1 455 . 1 1 54 54 GLY H H 1 7.96 0.02 . 1 . . . . 54 GLY H . 17131 1 456 . 1 1 54 54 GLY HA2 H 1 3.89 0.02 . 1 . . . . 54 GLY HA2 . 17131 1 457 . 1 1 54 54 GLY HA3 H 1 3.89 0.02 . 1 . . . . 54 GLY HA3 . 17131 1 458 . 1 1 54 54 GLY C C 13 174.72 0.05 . 1 . . . . 54 GLY C . 17131 1 459 . 1 1 54 54 GLY CA C 13 45.95 0.05 . 1 . . . . 54 GLY CA . 17131 1 460 . 1 1 54 54 GLY N N 15 107.51 0.05 . 1 . . . . 54 GLY N . 17131 1 461 . 1 1 55 55 GLY H H 1 8.35 0.02 . 1 . . . . 55 GLY H . 17131 1 462 . 1 1 55 55 GLY HA2 H 1 3.90 0.02 . 1 . . . . 55 GLY HA2 . 17131 1 463 . 1 1 55 55 GLY HA3 H 1 3.90 0.02 . 1 . . . . 55 GLY HA3 . 17131 1 464 . 1 1 55 55 GLY C C 13 174.03 0.05 . 1 . . . . 55 GLY C . 17131 1 465 . 1 1 55 55 GLY CA C 13 45.48 0.05 . 1 . . . . 55 GLY CA . 17131 1 466 . 1 1 55 55 GLY N N 15 107.55 0.05 . 1 . . . . 55 GLY N . 17131 1 467 . 1 1 56 56 ARG H H 1 7.84 0.02 . 1 . . . . 56 ARG H . 17131 1 468 . 1 1 56 56 ARG HA H 1 4.43 0.02 . 1 . . . . 56 ARG HA . 17131 1 469 . 1 1 56 56 ARG HB2 H 1 1.77 0.02 . 2 . . . . 56 ARG HB2 . 17131 1 470 . 1 1 56 56 ARG HB3 H 1 1.55 0.02 . 2 . . . . 56 ARG HB3 . 17131 1 471 . 1 1 56 56 ARG C C 13 175.38 0.05 . 1 . . . . 56 ARG C . 17131 1 472 . 1 1 56 56 ARG CA C 13 55.39 0.05 . 1 . . . . 56 ARG CA . 17131 1 473 . 1 1 56 56 ARG CB C 13 30.51 0.05 . 1 . . . . 56 ARG CB . 17131 1 474 . 1 1 56 56 ARG CD C 13 43.48 0.05 . 1 . . . . 56 ARG CD . 17131 1 475 . 1 1 56 56 ARG CG C 13 27.26 0.05 . 1 . . . . 56 ARG CG . 17131 1 476 . 1 1 56 56 ARG N N 15 121.00 0.05 . 1 . . . . 56 ARG N . 17131 1 477 . 1 1 57 57 ILE H H 1 8.45 0.02 . 1 . . . . 57 ILE H . 17131 1 478 . 1 1 57 57 ILE HA H 1 4.00 0.02 . 1 . . . . 57 ILE HA . 17131 1 479 . 1 1 57 57 ILE HB H 1 1.83 0.02 . 1 . . . . 57 ILE HB . 17131 1 480 . 1 1 57 57 ILE HG12 H 1 1.48 0.02 . 2 . . . . 57 ILE HG12 . 17131 1 481 . 1 1 57 57 ILE HG13 H 1 1.23 0.02 . 2 . . . . 57 ILE HG13 . 17131 1 482 . 1 1 57 57 ILE C C 13 175.42 0.05 . 1 . . . . 57 ILE C . 17131 1 483 . 1 1 57 57 ILE CA C 13 62.11 0.05 . 1 . . . . 57 ILE CA . 17131 1 484 . 1 1 57 57 ILE CB C 13 37.47 0.05 . 1 . . . . 57 ILE CB . 17131 1 485 . 1 1 57 57 ILE CD1 C 13 12.49 0.05 . 1 . . . . 57 ILE CD1 . 17131 1 486 . 1 1 57 57 ILE CG1 C 13 27.65 0.05 . 1 . . . . 57 ILE CG1 . 17131 1 487 . 1 1 57 57 ILE CG2 C 13 18.16 0.05 . 1 . . . . 57 ILE CG2 . 17131 1 488 . 1 1 57 57 ILE N N 15 124.45 0.05 . 1 . . . . 57 ILE N . 17131 1 489 . 1 1 58 58 THR H H 1 6.82 0.02 . 1 . . . . 58 THR H . 17131 1 490 . 1 1 58 58 THR HA H 1 4.79 0.02 . 1 . . . . 58 THR HA . 17131 1 491 . 1 1 58 58 THR HB H 1 4.66 0.02 . 1 . . . . 58 THR HB . 17131 1 492 . 1 1 58 58 THR C C 13 173.22 0.05 . 1 . . . . 58 THR C . 17131 1 493 . 1 1 58 58 THR CA C 13 58.90 0.05 . 1 . . . . 58 THR CA . 17131 1 494 . 1 1 58 58 THR CB C 13 69.13 0.05 . 1 . . . . 58 THR CB . 17131 1 495 . 1 1 58 58 THR CG2 C 13 22.18 0.05 . 1 . . . . 58 THR CG2 . 17131 1 496 . 1 1 58 58 THR N N 15 116.69 0.05 . 1 . . . . 58 THR N . 17131 1 497 . 1 1 60 60 SER H H 1 8.14 0.02 . 1 . . . . 60 SER H . 17131 1 498 . 1 1 60 60 SER CA C 13 57.60 0.05 . 1 . . . . 60 SER CA . 17131 1 499 . 1 1 61 61 LYS H H 1 8.52 0.02 . 1 . . . . 61 LYS H . 17131 1 500 . 1 1 61 61 LYS HA H 1 4.20 0.02 . 1 . . . . 61 LYS HA . 17131 1 501 . 1 1 61 61 LYS C C 13 178.81 0.05 . 1 . . . . 61 LYS C . 17131 1 502 . 1 1 61 61 LYS CA C 13 57.97 0.05 . 1 . . . . 61 LYS CA . 17131 1 503 . 1 1 61 61 LYS CB C 13 31.93 0.05 . 1 . . . . 61 LYS CB . 17131 1 504 . 1 1 61 61 LYS CD C 13 33.01 0.05 . 1 . . . . 61 LYS CD . 17131 1 505 . 1 1 61 61 LYS CE C 13 43.28 0.05 . 1 . . . . 61 LYS CE . 17131 1 506 . 1 1 61 61 LYS N N 15 117.57 0.05 . 1 . . . . 61 LYS N . 17131 1 507 . 1 1 62 62 LEU H H 1 7.49 0.02 . 1 . . . . 62 LEU H . 17131 1 508 . 1 1 62 62 LEU C C 13 180.20 0.05 . 1 . . . . 62 LEU C . 17131 1 509 . 1 1 62 62 LEU CA C 13 54.91 0.05 . 1 . . . . 62 LEU CA . 17131 1 510 . 1 1 62 62 LEU CB C 13 39.24 0.05 . 1 . . . . 62 LEU CB . 17131 1 511 . 1 1 62 62 LEU N N 15 120.93 0.05 . 1 . . . . 62 LEU N . 17131 1 512 . 1 1 63 63 GLN H H 1 7.89 0.02 . 1 . . . . 63 GLN H . 17131 1 513 . 1 1 63 63 GLN HA H 1 4.04 0.02 . 1 . . . . 63 GLN HA . 17131 1 514 . 1 1 63 63 GLN HB2 H 1 2.12 0.02 . 1 . . . . 63 GLN HB2 . 17131 1 515 . 1 1 63 63 GLN HB3 H 1 2.12 0.02 . 1 . . . . 63 GLN HB3 . 17131 1 516 . 1 1 63 63 GLN C C 13 178.31 0.05 . 1 . . . . 63 GLN C . 17131 1 517 . 1 1 63 63 GLN CA C 13 58.97 0.05 . 1 . . . . 63 GLN CA . 17131 1 518 . 1 1 63 63 GLN CB C 13 28.37 0.05 . 1 . . . . 63 GLN CB . 17131 1 519 . 1 1 63 63 GLN CG C 13 34.13 0.05 . 1 . . . . 63 GLN CG . 17131 1 520 . 1 1 63 63 GLN N N 15 117.26 0.05 . 1 . . . . 63 GLN N . 17131 1 521 . 1 1 64 64 ALA H H 1 7.57 0.02 . 1 . . . . 64 ALA H . 17131 1 522 . 1 1 64 64 ALA HA H 1 4.12 0.02 . 1 . . . . 64 ALA HA . 17131 1 523 . 1 1 64 64 ALA C C 13 180.94 0.05 . 1 . . . . 64 ALA C . 17131 1 524 . 1 1 64 64 ALA CA C 13 55.02 0.05 . 1 . . . . 64 ALA CA . 17131 1 525 . 1 1 64 64 ALA CB C 13 17.84 0.05 . 1 . . . . 64 ALA CB . 17131 1 526 . 1 1 64 64 ALA N N 15 121.03 0.05 . 1 . . . . 64 ALA N . 17131 1 527 . 1 1 65 65 LEU H H 1 7.68 0.02 . 1 . . . . 65 LEU H . 17131 1 528 . 1 1 65 65 LEU HA H 1 3.68 0.02 . 1 . . . . 65 LEU HA . 17131 1 529 . 1 1 65 65 LEU CA C 13 57.83 0.05 . 1 . . . . 65 LEU CA . 17131 1 530 . 1 1 65 65 LEU CB C 13 37.50 0.05 . 1 . . . . 65 LEU CB . 17131 1 531 . 1 1 65 65 LEU N N 15 121.90 0.05 . 1 . . . . 65 LEU N . 17131 1 532 . 1 1 66 66 ASP H H 1 8.50 0.02 . 1 . . . . 66 ASP H . 17131 1 533 . 1 1 66 66 ASP HA H 1 4.41 0.02 . 1 . . . . 66 ASP HA . 17131 1 534 . 1 1 66 66 ASP HB2 H 1 3.05 0.02 . 2 . . . . 66 ASP HB2 . 17131 1 535 . 1 1 66 66 ASP HB3 H 1 2.51 0.02 . 2 . . . . 66 ASP HB3 . 17131 1 536 . 1 1 66 66 ASP C C 13 179.00 0.05 . 1 . . . . 66 ASP C . 17131 1 537 . 1 1 66 66 ASP CA C 13 58.64 0.05 . 1 . . . . 66 ASP CA . 17131 1 538 . 1 1 66 66 ASP CB C 13 40.11 0.05 . 1 . . . . 66 ASP CB . 17131 1 539 . 1 1 66 66 ASP N N 15 120.61 0.05 . 1 . . . . 66 ASP N . 17131 1 540 . 1 1 67 67 MET H H 1 8.15 0.02 . 1 . . . . 67 MET H . 17131 1 541 . 1 1 67 67 MET HA H 1 4.64 0.02 . 1 . . . . 67 MET HA . 17131 1 542 . 1 1 67 67 MET HB2 H 1 2.75 0.02 . 2 . . . . 67 MET HB2 . 17131 1 543 . 1 1 67 67 MET HB3 H 1 2.18 0.02 . 2 . . . . 67 MET HB3 . 17131 1 544 . 1 1 67 67 MET HG2 H 1 2.37 0.02 . 1 . . . . 67 MET HG2 . 17131 1 545 . 1 1 67 67 MET HG3 H 1 2.37 0.02 . 1 . . . . 67 MET HG3 . 17131 1 546 . 1 1 67 67 MET C C 13 178.46 0.05 . 1 . . . . 67 MET C . 17131 1 547 . 1 1 67 67 MET CA C 13 58.79 0.05 . 1 . . . . 67 MET CA . 17131 1 548 . 1 1 67 67 MET CB C 13 29.35 0.05 . 1 . . . . 67 MET CB . 17131 1 549 . 1 1 67 67 MET CE C 13 16.70 0.05 . 1 . . . . 67 MET CE . 17131 1 550 . 1 1 67 67 MET CG C 13 33.16 0.05 . 1 . . . . 67 MET CG . 17131 1 551 . 1 1 67 67 MET N N 15 116.43 0.05 . 1 . . . . 67 MET N . 17131 1 552 . 1 1 68 68 ALA H H 1 8.16 0.02 . 1 . . . . 68 ALA H . 17131 1 553 . 1 1 68 68 ALA HA H 1 4.06 0.02 . 1 . . . . 68 ALA HA . 17131 1 554 . 1 1 68 68 ALA C C 13 180.24 0.05 . 1 . . . . 68 ALA C . 17131 1 555 . 1 1 68 68 ALA CA C 13 55.24 0.05 . 1 . . . . 68 ALA CA . 17131 1 556 . 1 1 68 68 ALA CB C 13 17.71 0.05 . 1 . . . . 68 ALA CB . 17131 1 557 . 1 1 68 68 ALA N N 15 124.40 0.05 . 1 . . . . 68 ALA N . 17131 1 558 . 1 1 69 69 PHE H H 1 8.58 0.02 . 1 . . . . 69 PHE H . 17131 1 559 . 1 1 69 69 PHE HA H 1 4.39 0.02 . 1 . . . . 69 PHE HA . 17131 1 560 . 1 1 69 69 PHE HB2 H 1 3.32 0.02 . 1 . . . . 69 PHE HB2 . 17131 1 561 . 1 1 69 69 PHE HB3 H 1 3.32 0.02 . 1 . . . . 69 PHE HB3 . 17131 1 562 . 1 1 69 69 PHE HD1 H 1 7.20 0.02 . 1 . . . . 69 PHE HD1 . 17131 1 563 . 1 1 69 69 PHE HD2 H 1 7.20 0.02 . 1 . . . . 69 PHE HD2 . 17131 1 564 . 1 1 69 69 PHE HE1 H 1 6.87 0.02 . 1 . . . . 69 PHE HE1 . 17131 1 565 . 1 1 69 69 PHE HE2 H 1 6.87 0.02 . 1 . . . . 69 PHE HE2 . 17131 1 566 . 1 1 69 69 PHE C C 13 176.11 0.05 . 1 . . . . 69 PHE C . 17131 1 567 . 1 1 69 69 PHE CA C 13 61.78 0.05 . 1 . . . . 69 PHE CA . 17131 1 568 . 1 1 69 69 PHE CB C 13 39.72 0.05 . 1 . . . . 69 PHE CB . 17131 1 569 . 1 1 69 69 PHE N N 15 119.27 0.05 . 1 . . . . 69 PHE N . 17131 1 570 . 1 1 70 70 ALA H H 1 8.90 0.02 . 1 . . . . 70 ALA H . 17131 1 571 . 1 1 70 70 ALA HA H 1 3.58 0.02 . 1 . . . . 70 ALA HA . 17131 1 572 . 1 1 70 70 ALA C C 13 178.89 0.05 . 1 . . . . 70 ALA C . 17131 1 573 . 1 1 70 70 ALA CA C 13 55.50 0.05 . 1 . . . . 70 ALA CA . 17131 1 574 . 1 1 70 70 ALA CB C 13 20.16 0.05 . 1 . . . . 70 ALA CB . 17131 1 575 . 1 1 70 70 ALA N N 15 119.66 0.05 . 1 . . . . 70 ALA N . 17131 1 576 . 1 1 71 71 SER H H 1 8.52 0.02 . 1 . . . . 71 SER H . 17131 1 577 . 1 1 71 71 SER HA H 1 3.61 0.02 . 1 . . . . 71 SER HA . 17131 1 578 . 1 1 71 71 SER HB2 H 1 3.56 0.02 . 2 . . . . 71 SER HB2 . 17131 1 579 . 1 1 71 71 SER HB3 H 1 3.47 0.02 . 2 . . . . 71 SER HB3 . 17131 1 580 . 1 1 71 71 SER C C 13 176.99 0.05 . 1 . . . . 71 SER C . 17131 1 581 . 1 1 71 71 SER CA C 13 61.78 0.05 . 1 . . . . 71 SER CA . 17131 1 582 . 1 1 71 71 SER CB C 13 63.10 0.05 . 1 . . . . 71 SER CB . 17131 1 583 . 1 1 71 71 SER N N 15 111.24 0.05 . 1 . . . . 71 SER N . 17131 1 584 . 1 1 72 72 SER H H 1 7.46 0.02 . 1 . . . . 72 SER H . 17131 1 585 . 1 1 72 72 SER HA H 1 4.18 0.02 . 1 . . . . 72 SER HA . 17131 1 586 . 1 1 72 72 SER HB2 H 1 4.05 0.02 . 2 . . . . 72 SER HB2 . 17131 1 587 . 1 1 72 72 SER HB3 H 1 3.75 0.02 . 2 . . . . 72 SER HB3 . 17131 1 588 . 1 1 72 72 SER C C 13 177.00 0.05 . 1 . . . . 72 SER C . 17131 1 589 . 1 1 72 72 SER CA C 13 62.41 0.05 . 1 . . . . 72 SER CA . 17131 1 590 . 1 1 72 72 SER CB C 13 62.98 0.05 . 1 . . . . 72 SER CB . 17131 1 591 . 1 1 72 72 SER N N 15 117.33 0.05 . 1 . . . . 72 SER N . 17131 1 592 . 1 1 73 73 VAL H H 1 7.92 0.02 . 1 . . . . 73 VAL H . 17131 1 593 . 1 1 73 73 VAL HA H 1 3.43 0.02 . 1 . . . . 73 VAL HA . 17131 1 594 . 1 1 73 73 VAL HB H 1 1.65 0.02 . 1 . . . . 73 VAL HB . 17131 1 595 . 1 1 73 73 VAL C C 13 177.32 0.05 . 1 . . . . 73 VAL C . 17131 1 596 . 1 1 73 73 VAL CA C 13 66.38 0.05 . 1 . . . . 73 VAL CA . 17131 1 597 . 1 1 73 73 VAL CB C 13 31.25 0.05 . 1 . . . . 73 VAL CB . 17131 1 598 . 1 1 73 73 VAL CG1 C 13 22.73 0.05 . 2 . . . . 73 VAL CG1 . 17131 1 599 . 1 1 73 73 VAL CG2 C 13 22.65 0.05 . 2 . . . . 73 VAL CG2 . 17131 1 600 . 1 1 73 73 VAL N N 15 119.47 0.05 . 1 . . . . 73 VAL N . 17131 1 601 . 1 1 74 74 ALA H H 1 8.53 0.02 . 1 . . . . 74 ALA H . 17131 1 602 . 1 1 74 74 ALA HA H 1 3.81 0.02 . 1 . . . . 74 ALA HA . 17131 1 603 . 1 1 74 74 ALA C C 13 178.79 0.05 . 1 . . . . 74 ALA C . 17131 1 604 . 1 1 74 74 ALA CA C 13 55.49 0.05 . 1 . . . . 74 ALA CA . 17131 1 605 . 1 1 74 74 ALA CB C 13 19.69 0.05 . 1 . . . . 74 ALA CB . 17131 1 606 . 1 1 74 74 ALA N N 15 122.44 0.05 . 1 . . . . 74 ALA N . 17131 1 607 . 1 1 75 75 GLU H H 1 7.48 0.02 . 1 . . . . 75 GLU H . 17131 1 608 . 1 1 75 75 GLU HA H 1 3.71 0.02 . 1 . . . . 75 GLU HA . 17131 1 609 . 1 1 75 75 GLU HB2 H 1 1.94 0.02 . 2 . . . . 75 GLU HB2 . 17131 1 610 . 1 1 75 75 GLU HB3 H 1 1.90 0.02 . 2 . . . . 75 GLU HB3 . 17131 1 611 . 1 1 75 75 GLU HG2 H 1 2.22 0.02 . 2 . . . . 75 GLU HG2 . 17131 1 612 . 1 1 75 75 GLU HG3 H 1 2.10 0.02 . 2 . . . . 75 GLU HG3 . 17131 1 613 . 1 1 75 75 GLU C C 13 179.25 0.05 . 1 . . . . 75 GLU C . 17131 1 614 . 1 1 75 75 GLU CA C 13 59.33 0.05 . 1 . . . . 75 GLU CA . 17131 1 615 . 1 1 75 75 GLU CB C 13 29.52 0.05 . 1 . . . . 75 GLU CB . 17131 1 616 . 1 1 75 75 GLU CG C 13 36.16 0.05 . 1 . . . . 75 GLU CG . 17131 1 617 . 1 1 75 75 GLU N N 15 116.26 0.05 . 1 . . . . 75 GLU N . 17131 1 618 . 1 1 76 76 ILE H H 1 7.29 0.02 . 1 . . . . 76 ILE H . 17131 1 619 . 1 1 76 76 ILE HA H 1 3.88 0.02 . 1 . . . . 76 ILE HA . 17131 1 620 . 1 1 76 76 ILE HB H 1 1.76 0.02 . 1 . . . . 76 ILE HB . 17131 1 621 . 1 1 76 76 ILE HG12 H 1 1.73 0.02 . 2 . . . . 76 ILE HG12 . 17131 1 622 . 1 1 76 76 ILE HG13 H 1 1.11 0.02 . 2 . . . . 76 ILE HG13 . 17131 1 623 . 1 1 76 76 ILE C C 13 180.00 0.05 . 1 . . . . 76 ILE C . 17131 1 624 . 1 1 76 76 ILE CA C 13 64.23 0.05 . 1 . . . . 76 ILE CA . 17131 1 625 . 1 1 76 76 ILE CB C 13 39.05 0.05 . 1 . . . . 76 ILE CB . 17131 1 626 . 1 1 76 76 ILE CD1 C 13 14.28 0.05 . 1 . . . . 76 ILE CD1 . 17131 1 627 . 1 1 76 76 ILE CG1 C 13 28.77 0.05 . 1 . . . . 76 ILE CG1 . 17131 1 628 . 1 1 76 76 ILE CG2 C 13 17.78 0.05 . 1 . . . . 76 ILE CG2 . 17131 1 629 . 1 1 76 76 ILE N N 15 118.91 0.05 . 1 . . . . 76 ILE N . 17131 1 630 . 1 1 77 77 ALA H H 1 8.78 0.02 . 1 . . . . 77 ALA H . 17131 1 631 . 1 1 77 77 ALA HA H 1 3.91 0.02 . 1 . . . . 77 ALA HA . 17131 1 632 . 1 1 77 77 ALA C C 13 177.68 0.05 . 1 . . . . 77 ALA C . 17131 1 633 . 1 1 77 77 ALA CA C 13 55.16 0.05 . 1 . . . . 77 ALA CA . 17131 1 634 . 1 1 77 77 ALA CB C 13 18.43 0.05 . 1 . . . . 77 ALA CB . 17131 1 635 . 1 1 77 77 ALA N N 15 122.60 0.05 . 1 . . . . 77 ALA N . 17131 1 636 . 1 1 78 78 ALA H H 1 7.77 0.02 . 1 . . . . 78 ALA H . 17131 1 637 . 1 1 78 78 ALA HA H 1 4.36 0.02 . 1 . . . . 78 ALA HA . 17131 1 638 . 1 1 78 78 ALA C C 13 179.03 0.05 . 1 . . . . 78 ALA C . 17131 1 639 . 1 1 78 78 ALA CA C 13 52.54 0.05 . 1 . . . . 78 ALA CA . 17131 1 640 . 1 1 78 78 ALA CB C 13 19.32 0.05 . 1 . . . . 78 ALA CB . 17131 1 641 . 1 1 78 78 ALA N N 15 116.72 0.05 . 1 . . . . 78 ALA N . 17131 1 642 . 1 1 79 79 SER H H 1 7.55 0.02 . 1 . . . . 79 SER H . 17131 1 643 . 1 1 79 79 SER HA H 1 4.19 0.02 . 1 . . . . 79 SER HA . 17131 1 644 . 1 1 79 79 SER HB2 H 1 4.25 0.02 . 2 . . . . 79 SER HB2 . 17131 1 645 . 1 1 79 79 SER HB3 H 1 4.07 0.02 . 2 . . . . 79 SER HB3 . 17131 1 646 . 1 1 79 79 SER C C 13 175.00 0.05 . 1 . . . . 79 SER C . 17131 1 647 . 1 1 79 79 SER CA C 13 61.21 0.05 . 1 . . . . 79 SER CA . 17131 1 648 . 1 1 79 79 SER CB C 13 63.84 0.05 . 1 . . . . 79 SER CB . 17131 1 649 . 1 1 79 79 SER N N 15 114.09 0.05 . 1 . . . . 79 SER N . 17131 1 650 . 1 1 80 80 GLU H H 1 7.87 0.02 . 1 . . . . 80 GLU H . 17131 1 651 . 1 1 80 80 GLU HA H 1 4.48 0.02 . 1 . . . . 80 GLU HA . 17131 1 652 . 1 1 80 80 GLU HB2 H 1 2.23 0.02 . 2 . . . . 80 GLU HB2 . 17131 1 653 . 1 1 80 80 GLU HB3 H 1 1.80 0.02 . 2 . . . . 80 GLU HB3 . 17131 1 654 . 1 1 80 80 GLU HG2 H 1 2.25 0.02 . 2 . . . . 80 GLU HG2 . 17131 1 655 . 1 1 80 80 GLU HG3 H 1 2.18 0.02 . 2 . . . . 80 GLU HG3 . 17131 1 656 . 1 1 80 80 GLU C C 13 177.05 0.05 . 1 . . . . 80 GLU C . 17131 1 657 . 1 1 80 80 GLU CA C 13 56.12 0.05 . 1 . . . . 80 GLU CA . 17131 1 658 . 1 1 80 80 GLU CB C 13 29.80 0.05 . 1 . . . . 80 GLU CB . 17131 1 659 . 1 1 80 80 GLU CG C 13 36.20 0.05 . 1 . . . . 80 GLU CG . 17131 1 660 . 1 1 80 80 GLU N N 15 120.19 0.05 . 1 . . . . 80 GLU N . 17131 1 661 . 1 1 81 81 GLY H H 1 8.05 0.02 . 1 . . . . 81 GLY H . 17131 1 662 . 1 1 81 81 GLY HA2 H 1 4.00 0.02 . 2 . . . . 81 GLY HA2 . 17131 1 663 . 1 1 81 81 GLY HA3 H 1 3.87 0.02 . 2 . . . . 81 GLY HA3 . 17131 1 664 . 1 1 81 81 GLY C C 13 174.84 0.05 . 1 . . . . 81 GLY C . 17131 1 665 . 1 1 81 81 GLY CA C 13 45.84 0.05 . 1 . . . . 81 GLY CA . 17131 1 666 . 1 1 81 81 GLY N N 15 108.65 0.05 . 1 . . . . 81 GLY N . 17131 1 667 . 1 1 82 82 GLY H H 1 8.25 0.02 . 1 . . . . 82 GLY H . 17131 1 668 . 1 1 82 82 GLY HA2 H 1 3.91 0.02 . 2 . . . . 82 GLY HA2 . 17131 1 669 . 1 1 82 82 GLY HA3 H 1 3.85 0.02 . 2 . . . . 82 GLY HA3 . 17131 1 670 . 1 1 82 82 GLY C C 13 173.31 0.05 . 1 . . . . 82 GLY C . 17131 1 671 . 1 1 82 82 GLY CA C 13 44.85 0.05 . 1 . . . . 82 GLY CA . 17131 1 672 . 1 1 82 82 GLY N N 15 108.64 0.05 . 1 . . . . 82 GLY N . 17131 1 673 . 1 1 83 83 ASP H H 1 8.36 0.02 . 1 . . . . 83 ASP H . 17131 1 674 . 1 1 83 83 ASP HA H 1 4.58 0.02 . 1 . . . . 83 ASP HA . 17131 1 675 . 1 1 83 83 ASP HB2 H 1 2.80 0.02 . 2 . . . . 83 ASP HB2 . 17131 1 676 . 1 1 83 83 ASP HB3 H 1 2.53 0.02 . 2 . . . . 83 ASP HB3 . 17131 1 677 . 1 1 83 83 ASP C C 13 176.94 0.05 . 1 . . . . 83 ASP C . 17131 1 678 . 1 1 83 83 ASP CA C 13 53.87 0.05 . 1 . . . . 83 ASP CA . 17131 1 679 . 1 1 83 83 ASP CB C 13 41.72 0.05 . 1 . . . . 83 ASP CB . 17131 1 680 . 1 1 83 83 ASP N N 15 121.10 0.05 . 1 . . . . 83 ASP N . 17131 1 681 . 1 1 84 84 LEU H H 1 8.79 0.02 . 1 . . . . 84 LEU H . 17131 1 682 . 1 1 84 84 LEU HA H 1 4.14 0.02 . 1 . . . . 84 LEU HA . 17131 1 683 . 1 1 84 84 LEU HB2 H 1 1.60 0.02 . 1 . . . . 84 LEU HB2 . 17131 1 684 . 1 1 84 84 LEU HB3 H 1 1.60 0.02 . 1 . . . . 84 LEU HB3 . 17131 1 685 . 1 1 84 84 LEU C C 13 176.98 0.05 . 1 . . . . 84 LEU C . 17131 1 686 . 1 1 84 84 LEU CA C 13 53.85 0.05 . 1 . . . . 84 LEU CA . 17131 1 687 . 1 1 84 84 LEU CB C 13 41.73 0.05 . 1 . . . . 84 LEU CB . 17131 1 688 . 1 1 84 84 LEU N N 15 128.42 0.05 . 1 . . . . 84 LEU N . 17131 1 689 . 1 1 85 85 GLY H H 1 8.68 0.02 . 1 . . . . 85 GLY H . 17131 1 690 . 1 1 85 85 GLY HA2 H 1 3.88 0.02 . 2 . . . . 85 GLY HA2 . 17131 1 691 . 1 1 85 85 GLY HA3 H 1 3.75 0.02 . 2 . . . . 85 GLY HA3 . 17131 1 692 . 1 1 85 85 GLY C C 13 176.20 0.05 . 1 . . . . 85 GLY C . 17131 1 693 . 1 1 85 85 GLY CA C 13 47.53 0.05 . 1 . . . . 85 GLY CA . 17131 1 694 . 1 1 85 85 GLY N N 15 111.30 0.05 . 1 . . . . 85 GLY N . 17131 1 695 . 1 1 86 86 VAL H H 1 7.79 0.02 . 1 . . . . 86 VAL H . 17131 1 696 . 1 1 86 86 VAL HA H 1 3.72 0.02 . 1 . . . . 86 VAL HA . 17131 1 697 . 1 1 86 86 VAL HB H 1 2.11 0.02 . 1 . . . . 86 VAL HB . 17131 1 698 . 1 1 86 86 VAL C C 13 179.69 0.05 . 1 . . . . 86 VAL C . 17131 1 699 . 1 1 86 86 VAL CA C 13 66.00 0.05 . 1 . . . . 86 VAL CA . 17131 1 700 . 1 1 86 86 VAL CB C 13 32.05 0.05 . 1 . . . . 86 VAL CB . 17131 1 701 . 1 1 86 86 VAL CG1 C 13 21.20 0.05 . 2 . . . . 86 VAL CG1 . 17131 1 702 . 1 1 86 86 VAL CG2 C 13 22.43 0.05 . 2 . . . . 86 VAL CG2 . 17131 1 703 . 1 1 86 86 VAL N N 15 122.90 0.05 . 1 . . . . 86 VAL N . 17131 1 704 . 1 1 87 87 THR H H 1 8.15 0.02 . 1 . . . . 87 THR H . 17131 1 705 . 1 1 87 87 THR HA H 1 3.76 0.02 . 1 . . . . 87 THR HA . 17131 1 706 . 1 1 87 87 THR HB H 1 4.16 0.02 . 1 . . . . 87 THR HB . 17131 1 707 . 1 1 87 87 THR C C 13 176.66 0.05 . 1 . . . . 87 THR C . 17131 1 708 . 1 1 87 87 THR CA C 13 66.27 0.05 . 1 . . . . 87 THR CA . 17131 1 709 . 1 1 87 87 THR CB C 13 68.35 0.05 . 1 . . . . 87 THR CB . 17131 1 710 . 1 1 87 87 THR CG2 C 13 22.75 0.05 . 1 . . . . 87 THR CG2 . 17131 1 711 . 1 1 87 87 THR N N 15 115.65 0.05 . 1 . . . . 87 THR N . 17131 1 712 . 1 1 88 88 THR H H 1 8.12 0.02 . 1 . . . . 88 THR H . 17131 1 713 . 1 1 88 88 THR HA H 1 3.83 0.02 . 1 . . . . 88 THR HA . 17131 1 714 . 1 1 88 88 THR HB H 1 4.23 0.02 . 1 . . . . 88 THR HB . 17131 1 715 . 1 1 88 88 THR C C 13 176.20 0.05 . 1 . . . . 88 THR C . 17131 1 716 . 1 1 88 88 THR CA C 13 68.60 0.05 . 1 . . . . 88 THR CA . 17131 1 717 . 1 1 88 88 THR CB C 13 68.43 0.05 . 1 . . . . 88 THR CB . 17131 1 718 . 1 1 88 88 THR CG2 C 13 21.84 0.05 . 1 . . . . 88 THR CG2 . 17131 1 719 . 1 1 88 88 THR N N 15 124.35 0.05 . 1 . . . . 88 THR N . 17131 1 720 . 1 1 89 89 ASN H H 1 7.80 0.02 . 1 . . . . 89 ASN H . 17131 1 721 . 1 1 89 89 ASN HA H 1 4.50 0.02 . 1 . . . . 89 ASN HA . 17131 1 722 . 1 1 89 89 ASN HB2 H 1 2.90 0.02 . 1 . . . . 89 ASN HB2 . 17131 1 723 . 1 1 89 89 ASN HB3 H 1 2.90 0.02 . 1 . . . . 89 ASN HB3 . 17131 1 724 . 1 1 89 89 ASN C C 13 176.90 0.05 . 1 . . . . 89 ASN C . 17131 1 725 . 1 1 89 89 ASN CA C 13 56.30 0.05 . 1 . . . . 89 ASN CA . 17131 1 726 . 1 1 89 89 ASN CB C 13 37.67 0.05 . 1 . . . . 89 ASN CB . 17131 1 727 . 1 1 89 89 ASN N N 15 120.95 0.05 . 1 . . . . 89 ASN N . 17131 1 728 . 1 1 90 90 ALA H H 1 7.90 0.02 . 1 . . . . 90 ALA H . 17131 1 729 . 1 1 90 90 ALA HA H 1 4.22 0.02 . 1 . . . . 90 ALA HA . 17131 1 730 . 1 1 90 90 ALA C C 13 180.26 0.05 . 1 . . . . 90 ALA C . 17131 1 731 . 1 1 90 90 ALA CA C 13 55.45 0.05 . 1 . . . . 90 ALA CA . 17131 1 732 . 1 1 90 90 ALA CB C 13 18.77 0.05 . 1 . . . . 90 ALA CB . 17131 1 733 . 1 1 90 90 ALA N N 15 123.25 0.05 . 1 . . . . 90 ALA N . 17131 1 734 . 1 1 91 91 ILE H H 1 8.32 0.02 . 1 . . . . 91 ILE H . 17131 1 735 . 1 1 91 91 ILE HA H 1 3.84 0.02 . 1 . . . . 91 ILE HA . 17131 1 736 . 1 1 91 91 ILE HB H 1 2.29 0.02 . 1 . . . . 91 ILE HB . 17131 1 737 . 1 1 91 91 ILE HG12 H 1 1.97 0.02 . 2 . . . . 91 ILE HG12 . 17131 1 738 . 1 1 91 91 ILE HG13 H 1 1.73 0.02 . 2 . . . . 91 ILE HG13 . 17131 1 739 . 1 1 91 91 ILE C C 13 177.71 0.05 . 1 . . . . 91 ILE C . 17131 1 740 . 1 1 91 91 ILE CA C 13 64.44 0.05 . 1 . . . . 91 ILE CA . 17131 1 741 . 1 1 91 91 ILE CB C 13 37.02 0.05 . 1 . . . . 91 ILE CB . 17131 1 742 . 1 1 91 91 ILE CD1 C 13 13.03 0.05 . 1 . . . . 91 ILE CD1 . 17131 1 743 . 1 1 91 91 ILE CG1 C 13 29.53 0.05 . 1 . . . . 91 ILE CG1 . 17131 1 744 . 1 1 91 91 ILE CG2 C 13 17.22 0.05 . 1 . . . . 91 ILE CG2 . 17131 1 745 . 1 1 91 91 ILE N N 15 118.04 0.05 . 1 . . . . 91 ILE N . 17131 1 746 . 1 1 92 92 ALA H H 1 8.44 0.02 . 1 . . . . 92 ALA H . 17131 1 747 . 1 1 92 92 ALA HA H 1 4.05 0.02 . 1 . . . . 92 ALA HA . 17131 1 748 . 1 1 92 92 ALA C C 13 180.52 0.05 . 1 . . . . 92 ALA C . 17131 1 749 . 1 1 92 92 ALA CA C 13 56.28 0.05 . 1 . . . . 92 ALA CA . 17131 1 750 . 1 1 92 92 ALA CB C 13 18.13 0.05 . 1 . . . . 92 ALA CB . 17131 1 751 . 1 1 92 92 ALA N N 15 122.61 0.05 . 1 . . . . 92 ALA N . 17131 1 752 . 1 1 93 93 ASP H H 1 8.68 0.02 . 1 . . . . 93 ASP H . 17131 1 753 . 1 1 93 93 ASP HA H 1 4.39 0.02 . 1 . . . . 93 ASP HA . 17131 1 754 . 1 1 93 93 ASP HB2 H 1 2.89 0.02 . 2 . . . . 93 ASP HB2 . 17131 1 755 . 1 1 93 93 ASP HB3 H 1 2.72 0.02 . 2 . . . . 93 ASP HB3 . 17131 1 756 . 1 1 93 93 ASP C C 13 179.00 0.05 . 1 . . . . 93 ASP C . 17131 1 757 . 1 1 93 93 ASP CA C 13 57.81 0.05 . 1 . . . . 93 ASP CA . 17131 1 758 . 1 1 93 93 ASP CB C 13 40.12 0.05 . 1 . . . . 93 ASP CB . 17131 1 759 . 1 1 93 93 ASP N N 15 121.96 0.05 . 1 . . . . 93 ASP N . 17131 1 760 . 1 1 94 94 ALA H H 1 8.48 0.02 . 1 . . . . 94 ALA H . 17131 1 761 . 1 1 94 94 ALA HA H 1 4.11 0.02 . 1 . . . . 94 ALA HA . 17131 1 762 . 1 1 94 94 ALA C C 13 179.90 0.05 . 1 . . . . 94 ALA C . 17131 1 763 . 1 1 94 94 ALA CA C 13 55.11 0.05 . 1 . . . . 94 ALA CA . 17131 1 764 . 1 1 94 94 ALA CB C 13 18.02 0.05 . 1 . . . . 94 ALA CB . 17131 1 765 . 1 1 94 94 ALA N N 15 124.42 0.05 . 1 . . . . 94 ALA N . 17131 1 766 . 1 1 95 95 LEU H H 1 9.01 0.02 . 1 . . . . 95 LEU H . 17131 1 767 . 1 1 95 95 LEU HA H 1 4.05 0.02 . 1 . . . . 95 LEU HA . 17131 1 768 . 1 1 95 95 LEU HB2 H 1 2.37 0.02 . 2 . . . . 95 LEU HB2 . 17131 1 769 . 1 1 95 95 LEU HB3 H 1 1.53 0.02 . 2 . . . . 95 LEU HB3 . 17131 1 770 . 1 1 95 95 LEU HG H 1 1.47 0.02 . 1 . . . . 95 LEU HG . 17131 1 771 . 1 1 95 95 LEU C C 13 179.88 0.05 . 1 . . . . 95 LEU C . 17131 1 772 . 1 1 95 95 LEU CA C 13 58.05 0.05 . 1 . . . . 95 LEU CA . 17131 1 773 . 1 1 95 95 LEU CB C 13 38.35 0.05 . 1 . . . . 95 LEU CB . 17131 1 774 . 1 1 95 95 LEU N N 15 118.88 0.05 . 1 . . . . 95 LEU N . 17131 1 775 . 1 1 96 96 THR H H 1 6.96 0.02 . 1 . . . . 96 THR H . 17131 1 776 . 1 1 96 96 THR HB H 1 3.90 0.02 . 1 . . . . 96 THR HB . 17131 1 777 . 1 1 96 96 THR C C 13 174.30 0.05 . 1 . . . . 96 THR C . 17131 1 778 . 1 1 96 96 THR CA C 13 62.90 0.05 . 1 . . . . 96 THR CA . 17131 1 779 . 1 1 96 96 THR CB C 13 67.39 0.05 . 1 . . . . 96 THR CB . 17131 1 780 . 1 1 96 96 THR CG2 C 13 18.04 0.05 . 1 . . . . 96 THR CG2 . 17131 1 781 . 1 1 97 97 SER H H 1 8.11 0.02 . 1 . . . . 97 SER H . 17131 1 782 . 1 1 97 97 SER HA H 1 4.49 0.02 . 1 . . . . 97 SER HA . 17131 1 783 . 1 1 97 97 SER HB2 H 1 4.58 0.02 . 2 . . . . 97 SER HB2 . 17131 1 784 . 1 1 97 97 SER HB3 H 1 3.88 0.02 . 2 . . . . 97 SER HB3 . 17131 1 785 . 1 1 97 97 SER C C 13 177.20 0.05 . 1 . . . . 97 SER C . 17131 1 786 . 1 1 97 97 SER CA C 13 61.48 0.05 . 1 . . . . 97 SER CA . 17131 1 787 . 1 1 97 97 SER CB C 13 62.53 0.05 . 1 . . . . 97 SER CB . 17131 1 788 . 1 1 97 97 SER N N 15 120.66 0.05 . 1 . . . . 97 SER N . 17131 1 789 . 1 1 98 98 ALA H H 1 8.14 0.02 . 1 . . . . 98 ALA H . 17131 1 790 . 1 1 98 98 ALA HA H 1 4.10 0.02 . 1 . . . . 98 ALA HA . 17131 1 791 . 1 1 98 98 ALA C C 13 181.24 0.05 . 1 . . . . 98 ALA C . 17131 1 792 . 1 1 98 98 ALA CA C 13 55.16 0.05 . 1 . . . . 98 ALA CA . 17131 1 793 . 1 1 98 98 ALA CB C 13 18.12 0.05 . 1 . . . . 98 ALA CB . 17131 1 794 . 1 1 98 98 ALA N N 15 123.22 0.05 . 1 . . . . 98 ALA N . 17131 1 795 . 1 1 99 99 PHE H H 1 8.50 0.02 . 1 . . . . 99 PHE H . 17131 1 796 . 1 1 99 99 PHE HA H 1 4.27 0.02 . 1 . . . . 99 PHE HA . 17131 1 797 . 1 1 99 99 PHE HB2 H 1 3.23 0.02 . 2 . . . . 99 PHE HB2 . 17131 1 798 . 1 1 99 99 PHE HB3 H 1 2.95 0.02 . 2 . . . . 99 PHE HB3 . 17131 1 799 . 1 1 99 99 PHE HD1 H 1 7.47 0.02 . 1 . . . . 99 PHE HD1 . 17131 1 800 . 1 1 99 99 PHE HD2 H 1 7.47 0.02 . 1 . . . . 99 PHE HD2 . 17131 1 801 . 1 1 99 99 PHE C C 13 178.97 0.05 . 1 . . . . 99 PHE C . 17131 1 802 . 1 1 99 99 PHE CA C 13 64.07 0.05 . 1 . . . . 99 PHE CA . 17131 1 803 . 1 1 99 99 PHE CB C 13 39.12 0.05 . 1 . . . . 99 PHE CB . 17131 1 804 . 1 1 99 99 PHE N N 15 118.00 0.05 . 1 . . . . 99 PHE N . 17131 1 805 . 1 1 100 100 TYR H H 1 8.40 0.02 . 1 . . . . 100 TYR H . 17131 1 806 . 1 1 100 100 TYR HB2 H 1 3.10 0.02 . 1 . . . . 100 TYR HB2 . 17131 1 807 . 1 1 100 100 TYR HB3 H 1 3.10 0.02 . 1 . . . . 100 TYR HB3 . 17131 1 808 . 1 1 100 100 TYR C C 13 178.24 0.05 . 1 . . . . 100 TYR C . 17131 1 809 . 1 1 100 100 TYR CA C 13 62.37 0.05 . 1 . . . . 100 TYR CA . 17131 1 810 . 1 1 100 100 TYR CB C 13 37.28 0.05 . 1 . . . . 100 TYR CB . 17131 1 811 . 1 1 100 100 TYR N N 15 120.54 0.05 . 1 . . . . 100 TYR N . 17131 1 812 . 1 1 101 101 GLN H H 1 8.35 0.02 . 1 . . . . 101 GLN H . 17131 1 813 . 1 1 101 101 GLN HA H 1 4.08 0.02 . 1 . . . . 101 GLN HA . 17131 1 814 . 1 1 101 101 GLN HB2 H 1 2.21 0.02 . 1 . . . . 101 GLN HB2 . 17131 1 815 . 1 1 101 101 GLN HB3 H 1 2.21 0.02 . 1 . . . . 101 GLN HB3 . 17131 1 816 . 1 1 101 101 GLN C C 13 176.57 0.05 . 1 . . . . 101 GLN C . 17131 1 817 . 1 1 101 101 GLN CA C 13 57.74 0.05 . 1 . . . . 101 GLN CA . 17131 1 818 . 1 1 101 101 GLN CB C 13 29.74 0.05 . 1 . . . . 101 GLN CB . 17131 1 819 . 1 1 101 101 GLN CG C 13 34.58 0.05 . 1 . . . . 101 GLN CG . 17131 1 820 . 1 1 101 101 GLN N N 15 114.82 0.05 . 1 . . . . 101 GLN N . 17131 1 821 . 1 1 102 102 THR H H 1 7.55 0.02 . 1 . . . . 102 THR H . 17131 1 822 . 1 1 102 102 THR HA H 1 4.41 0.02 . 1 . . . . 102 THR HA . 17131 1 823 . 1 1 102 102 THR HB H 1 4.29 0.02 . 1 . . . . 102 THR HB . 17131 1 824 . 1 1 102 102 THR C C 13 175.68 0.05 . 1 . . . . 102 THR C . 17131 1 825 . 1 1 102 102 THR CA C 13 62.18 0.05 . 1 . . . . 102 THR CA . 17131 1 826 . 1 1 102 102 THR CB C 13 70.10 0.05 . 1 . . . . 102 THR CB . 17131 1 827 . 1 1 102 102 THR CG2 C 13 21.75 0.05 . 1 . . . . 102 THR CG2 . 17131 1 828 . 1 1 102 102 THR N N 15 108.63 0.05 . 1 . . . . 102 THR N . 17131 1 829 . 1 1 103 103 THR H H 1 8.59 0.02 . 1 . . . . 103 THR H . 17131 1 830 . 1 1 103 103 THR HA H 1 4.41 0.02 . 1 . . . . 103 THR HA . 17131 1 831 . 1 1 103 103 THR HB H 1 4.35 0.02 . 1 . . . . 103 THR HB . 17131 1 832 . 1 1 103 103 THR C C 13 176.35 0.05 . 1 . . . . 103 THR C . 17131 1 833 . 1 1 103 103 THR CA C 13 62.27 0.05 . 1 . . . . 103 THR CA . 17131 1 834 . 1 1 103 103 THR CB C 13 70.34 0.05 . 1 . . . . 103 THR CB . 17131 1 835 . 1 1 103 103 THR CG2 C 13 22.18 0.05 . 1 . . . . 103 THR CG2 . 17131 1 836 . 1 1 103 103 THR N N 15 112.26 0.05 . 1 . . . . 103 THR N . 17131 1 837 . 1 1 104 104 GLY H H 1 8.41 0.02 . 1 . . . . 104 GLY H . 17131 1 838 . 1 1 104 104 GLY HA2 H 1 4.30 0.02 . 2 . . . . 104 GLY HA2 . 17131 1 839 . 1 1 104 104 GLY HA3 H 1 3.86 0.02 . 2 . . . . 104 GLY HA3 . 17131 1 840 . 1 1 104 104 GLY C C 13 172.80 0.05 . 1 . . . . 104 GLY C . 17131 1 841 . 1 1 104 104 GLY CA C 13 45.50 0.05 . 1 . . . . 104 GLY CA . 17131 1 842 . 1 1 104 104 GLY N N 15 109.36 0.05 . 1 . . . . 104 GLY N . 17131 1 843 . 1 1 105 105 VAL H H 1 7.66 0.02 . 1 . . . . 105 VAL H . 17131 1 844 . 1 1 105 105 VAL HA H 1 3.83 0.02 . 1 . . . . 105 VAL HA . 17131 1 845 . 1 1 105 105 VAL HB H 1 1.72 0.02 . 1 . . . . 105 VAL HB . 17131 1 846 . 1 1 105 105 VAL C C 13 174.79 0.05 . 1 . . . . 105 VAL C . 17131 1 847 . 1 1 105 105 VAL CA C 13 60.75 0.05 . 1 . . . . 105 VAL CA . 17131 1 848 . 1 1 105 105 VAL CB C 13 34.81 0.05 . 1 . . . . 105 VAL CB . 17131 1 849 . 1 1 105 105 VAL CG1 C 13 20.33 0.05 . 2 . . . . 105 VAL CG1 . 17131 1 850 . 1 1 105 105 VAL CG2 C 13 20.98 0.05 . 2 . . . . 105 VAL CG2 . 17131 1 851 . 1 1 105 105 VAL N N 15 119.60 0.05 . 1 . . . . 105 VAL N . 17131 1 852 . 1 1 106 106 VAL H H 1 8.49 0.02 . 1 . . . . 106 VAL H . 17131 1 853 . 1 1 106 106 VAL HA H 1 3.01 0.02 . 1 . . . . 106 VAL HA . 17131 1 854 . 1 1 106 106 VAL HB H 1 1.83 0.02 . 1 . . . . 106 VAL HB . 17131 1 855 . 1 1 106 106 VAL C C 13 175.80 0.05 . 1 . . . . 106 VAL C . 17131 1 856 . 1 1 106 106 VAL CA C 13 63.60 0.05 . 1 . . . . 106 VAL CA . 17131 1 857 . 1 1 106 106 VAL CB C 13 32.44 0.05 . 1 . . . . 106 VAL CB . 17131 1 858 . 1 1 106 106 VAL CG1 C 13 21.60 0.05 . 2 . . . . 106 VAL CG1 . 17131 1 859 . 1 1 106 106 VAL CG2 C 13 22.70 0.05 . 2 . . . . 106 VAL CG2 . 17131 1 860 . 1 1 106 106 VAL N N 15 125.54 0.05 . 1 . . . . 106 VAL N . 17131 1 861 . 1 1 107 107 ASN H H 1 8.62 0.02 . 1 . . . . 107 ASN H . 17131 1 862 . 1 1 107 107 ASN HA H 1 3.96 0.02 . 1 . . . . 107 ASN HA . 17131 1 863 . 1 1 107 107 ASN HB2 H 1 3.03 0.02 . 2 . . . . 107 ASN HB2 . 17131 1 864 . 1 1 107 107 ASN HB3 H 1 1.82 0.02 . 2 . . . . 107 ASN HB3 . 17131 1 865 . 1 1 107 107 ASN C C 13 178.41 0.05 . 1 . . . . 107 ASN C . 17131 1 866 . 1 1 107 107 ASN CA C 13 65.26 0.05 . 1 . . . . 107 ASN CA . 17131 1 867 . 1 1 107 107 ASN CB C 13 37.61 0.05 . 1 . . . . 107 ASN CB . 17131 1 868 . 1 1 107 107 ASN N N 15 120.41 0.05 . 1 . . . . 107 ASN N . 17131 1 869 . 1 1 108 108 SER H H 1 7.76 0.02 . 1 . . . . 108 SER H . 17131 1 870 . 1 1 108 108 SER HA H 1 4.09 0.02 . 1 . . . . 108 SER HA . 17131 1 871 . 1 1 108 108 SER HB2 H 1 4.52 0.02 . 2 . . . . 108 SER HB2 . 17131 1 872 . 1 1 108 108 SER HB3 H 1 3.91 0.02 . 2 . . . . 108 SER HB3 . 17131 1 873 . 1 1 108 108 SER C C 13 177.16 0.05 . 1 . . . . 108 SER C . 17131 1 874 . 1 1 108 108 SER CA C 13 61.52 0.05 . 1 . . . . 108 SER CA . 17131 1 875 . 1 1 108 108 SER CB C 13 62.59 0.05 . 1 . . . . 108 SER CB . 17131 1 876 . 1 1 108 108 SER N N 15 114.56 0.05 . 1 . . . . 108 SER N . 17131 1 877 . 1 1 109 109 ARG H H 1 7.57 0.02 . 1 . . . . 109 ARG H . 17131 1 878 . 1 1 109 109 ARG HA H 1 4.06 0.02 . 1 . . . . 109 ARG HA . 17131 1 879 . 1 1 109 109 ARG HB2 H 1 2.04 0.02 . 1 . . . . 109 ARG HB2 . 17131 1 880 . 1 1 109 109 ARG HB3 H 1 2.04 0.02 . 1 . . . . 109 ARG HB3 . 17131 1 881 . 1 1 109 109 ARG C C 13 178.64 0.05 . 1 . . . . 109 ARG C . 17131 1 882 . 1 1 109 109 ARG CA C 13 59.17 0.05 . 1 . . . . 109 ARG CA . 17131 1 883 . 1 1 109 109 ARG CB C 13 33.09 0.05 . 1 . . . . 109 ARG CB . 17131 1 884 . 1 1 109 109 ARG N N 15 123.99 0.05 . 1 . . . . 109 ARG N . 17131 1 885 . 1 1 110 110 PHE H H 1 7.91 0.02 . 1 . . . . 110 PHE H . 17131 1 886 . 1 1 110 110 PHE HA H 1 4.05 0.02 . 1 . . . . 110 PHE HA . 17131 1 887 . 1 1 110 110 PHE HB2 H 1 1.85 0.02 . 2 . . . . 110 PHE HB2 . 17131 1 888 . 1 1 110 110 PHE HB3 H 1 1.70 0.02 . 2 . . . . 110 PHE HB3 . 17131 1 889 . 1 1 110 110 PHE C C 13 177.74 0.05 . 1 . . . . 110 PHE C . 17131 1 890 . 1 1 110 110 PHE CA C 13 59.80 0.05 . 1 . . . . 110 PHE CA . 17131 1 891 . 1 1 110 110 PHE CB C 13 39.31 0.05 . 1 . . . . 110 PHE CB . 17131 1 892 . 1 1 110 110 PHE N N 15 118.60 0.05 . 1 . . . . 110 PHE N . 17131 1 893 . 1 1 111 111 ILE H H 1 7.55 0.02 . 1 . . . . 111 ILE H . 17131 1 894 . 1 1 111 111 ILE HA H 1 3.50 0.02 . 1 . . . . 111 ILE HA . 17131 1 895 . 1 1 111 111 ILE HB H 1 1.92 0.02 . 1 . . . . 111 ILE HB . 17131 1 896 . 1 1 111 111 ILE HG12 H 1 2.08 0.02 . 2 . . . . 111 ILE HG12 . 17131 1 897 . 1 1 111 111 ILE HG13 H 1 1.25 0.02 . 2 . . . . 111 ILE HG13 . 17131 1 898 . 1 1 111 111 ILE C C 13 177.53 0.05 . 1 . . . . 111 ILE C . 17131 1 899 . 1 1 111 111 ILE CA C 13 66.03 0.05 . 1 . . . . 111 ILE CA . 17131 1 900 . 1 1 111 111 ILE CB C 13 37.55 0.05 . 1 . . . . 111 ILE CB . 17131 1 901 . 1 1 111 111 ILE CD1 C 13 14.26 0.05 . 1 . . . . 111 ILE CD1 . 17131 1 902 . 1 1 111 111 ILE CG1 C 13 29.94 0.05 . 1 . . . . 111 ILE CG1 . 17131 1 903 . 1 1 111 111 ILE CG2 C 13 17.22 0.05 . 1 . . . . 111 ILE CG2 . 17131 1 904 . 1 1 111 111 ILE N N 15 116.69 0.05 . 1 . . . . 111 ILE N . 17131 1 905 . 1 1 112 112 SER H H 1 8.20 0.02 . 1 . . . . 112 SER H . 17131 1 906 . 1 1 112 112 SER HA H 1 4.01 0.02 . 1 . . . . 112 SER HA . 17131 1 907 . 1 1 112 112 SER HB2 H 1 3.98 0.02 . 1 . . . . 112 SER HB2 . 17131 1 908 . 1 1 112 112 SER HB3 H 1 3.98 0.02 . 1 . . . . 112 SER HB3 . 17131 1 909 . 1 1 112 112 SER C C 13 177.32 0.05 . 1 . . . . 112 SER C . 17131 1 910 . 1 1 112 112 SER CA C 13 62.30 0.05 . 1 . . . . 112 SER CA . 17131 1 911 . 1 1 112 112 SER CB C 13 63.78 0.05 . 1 . . . . 112 SER CB . 17131 1 912 . 1 1 112 112 SER N N 15 115.11 0.05 . 1 . . . . 112 SER N . 17131 1 913 . 1 1 113 113 GLU H H 1 8.35 0.02 . 1 . . . . 113 GLU H . 17131 1 914 . 1 1 113 113 GLU HA H 1 3.98 0.02 . 1 . . . . 113 GLU HA . 17131 1 915 . 1 1 113 113 GLU HB2 H 1 2.14 0.02 . 1 . . . . 113 GLU HB2 . 17131 1 916 . 1 1 113 113 GLU HB3 H 1 2.14 0.02 . 1 . . . . 113 GLU HB3 . 17131 1 917 . 1 1 113 113 GLU HG2 H 1 2.33 0.02 . 1 . . . . 113 GLU HG2 . 17131 1 918 . 1 1 113 113 GLU HG3 H 1 2.33 0.02 . 1 . . . . 113 GLU HG3 . 17131 1 919 . 1 1 113 113 GLU C C 13 179.24 0.05 . 1 . . . . 113 GLU C . 17131 1 920 . 1 1 113 113 GLU CA C 13 59.45 0.05 . 1 . . . . 113 GLU CA . 17131 1 921 . 1 1 113 113 GLU CB C 13 28.98 0.05 . 1 . . . . 113 GLU CB . 17131 1 922 . 1 1 113 113 GLU CG C 13 36.01 0.05 . 1 . . . . 113 GLU CG . 17131 1 923 . 1 1 113 113 GLU N N 15 122.68 0.05 . 1 . . . . 113 GLU N . 17131 1 924 . 1 1 114 114 ILE H H 1 8.16 0.02 . 1 . . . . 114 ILE H . 17131 1 925 . 1 1 114 114 ILE HA H 1 3.63 0.02 . 1 . . . . 114 ILE HA . 17131 1 926 . 1 1 114 114 ILE HB H 1 1.85 0.02 . 1 . . . . 114 ILE HB . 17131 1 927 . 1 1 114 114 ILE HG12 H 1 1.05 0.02 . 2 . . . . 114 ILE HG12 . 17131 1 928 . 1 1 114 114 ILE HG13 H 1 1.00 0.02 . 2 . . . . 114 ILE HG13 . 17131 1 929 . 1 1 114 114 ILE C C 13 178.00 0.05 . 1 . . . . 114 ILE C . 17131 1 930 . 1 1 114 114 ILE CA C 13 63.96 0.05 . 1 . . . . 114 ILE CA . 17131 1 931 . 1 1 114 114 ILE CB C 13 35.38 0.05 . 1 . . . . 114 ILE CB . 17131 1 932 . 1 1 114 114 ILE CD1 C 13 11.53 0.05 . 1 . . . . 114 ILE CD1 . 17131 1 933 . 1 1 114 114 ILE CG1 C 13 29.43 0.05 . 1 . . . . 114 ILE CG1 . 17131 1 934 . 1 1 114 114 ILE CG2 C 13 18.09 0.05 . 1 . . . . 114 ILE CG2 . 17131 1 935 . 1 1 114 114 ILE N N 15 119.94 0.05 . 1 . . . . 114 ILE N . 17131 1 936 . 1 1 115 115 ARG H H 1 8.50 0.02 . 1 . . . . 115 ARG H . 17131 1 937 . 1 1 115 115 ARG HA H 1 3.72 0.02 . 1 . . . . 115 ARG HA . 17131 1 938 . 1 1 115 115 ARG HB2 H 1 1.97 0.02 . 1 . . . . 115 ARG HB2 . 17131 1 939 . 1 1 115 115 ARG HB3 H 1 1.97 0.02 . 1 . . . . 115 ARG HB3 . 17131 1 940 . 1 1 115 115 ARG HD2 H 1 3.20 0.02 . 1 . . . . 115 ARG HD2 . 17131 1 941 . 1 1 115 115 ARG HD3 H 1 3.20 0.02 . 1 . . . . 115 ARG HD3 . 17131 1 942 . 1 1 115 115 ARG C C 13 179.56 0.05 . 1 . . . . 115 ARG C . 17131 1 943 . 1 1 115 115 ARG CA C 13 61.09 0.05 . 1 . . . . 115 ARG CA . 17131 1 944 . 1 1 115 115 ARG CB C 13 30.32 0.05 . 1 . . . . 115 ARG CB . 17131 1 945 . 1 1 115 115 ARG CD C 13 43.79 0.05 . 1 . . . . 115 ARG CD . 17131 1 946 . 1 1 115 115 ARG CG C 13 28.53 0.05 . 1 . . . . 115 ARG CG . 17131 1 947 . 1 1 115 115 ARG N N 15 119.33 0.05 . 1 . . . . 115 ARG N . 17131 1 948 . 1 1 116 116 SER H H 1 7.92 0.02 . 1 . . . . 116 SER H . 17131 1 949 . 1 1 116 116 SER HA H 1 4.15 0.02 . 1 . . . . 116 SER HA . 17131 1 950 . 1 1 116 116 SER HB2 H 1 4.08 0.02 . 2 . . . . 116 SER HB2 . 17131 1 951 . 1 1 116 116 SER HB3 H 1 3.93 0.02 . 2 . . . . 116 SER HB3 . 17131 1 952 . 1 1 116 116 SER C C 13 177.17 0.05 . 1 . . . . 116 SER C . 17131 1 953 . 1 1 116 116 SER CA C 13 61.58 0.05 . 1 . . . . 116 SER CA . 17131 1 954 . 1 1 116 116 SER CB C 13 62.64 0.05 . 1 . . . . 116 SER CB . 17131 1 955 . 1 1 116 116 SER N N 15 115.14 0.05 . 1 . . . . 116 SER N . 17131 1 956 . 1 1 117 117 LEU H H 1 8.24 0.02 . 1 . . . . 117 LEU H . 17131 1 957 . 1 1 117 117 LEU HA H 1 3.96 0.02 . 1 . . . . 117 LEU HA . 17131 1 958 . 1 1 117 117 LEU HB2 H 1 1.82 0.02 . 1 . . . . 117 LEU HB2 . 17131 1 959 . 1 1 117 117 LEU HB3 H 1 1.82 0.02 . 1 . . . . 117 LEU HB3 . 17131 1 960 . 1 1 117 117 LEU HG H 1 1.50 0.02 . 1 . . . . 117 LEU HG . 17131 1 961 . 1 1 117 117 LEU C C 13 175.30 0.05 . 1 . . . . 117 LEU C . 17131 1 962 . 1 1 117 117 LEU CA C 13 62.70 0.05 . 1 . . . . 117 LEU CA . 17131 1 963 . 1 1 117 117 LEU CB C 13 37.60 0.05 . 1 . . . . 117 LEU CB . 17131 1 964 . 1 1 117 117 LEU CG C 13 27.81 0.05 . 1 . . . . 117 LEU CG . 17131 1 965 . 1 1 117 117 LEU N N 15 123.25 0.05 . 1 . . . . 117 LEU N . 17131 1 966 . 1 1 118 118 ILE H H 1 8.57 0.02 . 1 . . . . 118 ILE H . 17131 1 967 . 1 1 118 118 ILE HA H 1 3.58 0.02 . 1 . . . . 118 ILE HA . 17131 1 968 . 1 1 118 118 ILE HB H 1 1.96 0.02 . 1 . . . . 118 ILE HB . 17131 1 969 . 1 1 118 118 ILE HG12 H 1 1.86 0.02 . 2 . . . . 118 ILE HG12 . 17131 1 970 . 1 1 118 118 ILE HG13 H 1 1.81 0.02 . 2 . . . . 118 ILE HG13 . 17131 1 971 . 1 1 118 118 ILE C C 13 177.76 0.05 . 1 . . . . 118 ILE C . 17131 1 972 . 1 1 118 118 ILE CA C 13 66.40 0.05 . 1 . . . . 118 ILE CA . 17131 1 973 . 1 1 118 118 ILE CB C 13 37.64 0.05 . 1 . . . . 118 ILE CB . 17131 1 974 . 1 1 118 118 ILE CD1 C 13 15.20 0.05 . 1 . . . . 118 ILE CD1 . 17131 1 975 . 1 1 118 118 ILE CG1 C 13 29.73 0.05 . 1 . . . . 118 ILE CG1 . 17131 1 976 . 1 1 118 118 ILE CG2 C 13 17.02 0.05 . 1 . . . . 118 ILE CG2 . 17131 1 977 . 1 1 118 118 ILE N N 15 119.27 0.05 . 1 . . . . 118 ILE N . 17131 1 978 . 1 1 119 119 GLY H H 1 7.57 0.02 . 1 . . . . 119 GLY H . 17131 1 979 . 1 1 119 119 GLY C C 13 175.97 0.05 . 1 . . . . 119 GLY C . 17131 1 980 . 1 1 119 119 GLY CA C 13 47.29 0.05 . 1 . . . . 119 GLY CA . 17131 1 981 . 1 1 119 119 GLY N N 15 104.26 0.05 . 1 . . . . 119 GLY N . 17131 1 982 . 1 1 120 120 MET H H 1 7.67 0.02 . 1 . . . . 120 MET H . 17131 1 983 . 1 1 120 120 MET HA H 1 4.14 0.02 . 1 . . . . 120 MET HA . 17131 1 984 . 1 1 120 120 MET HB2 H 1 2.00 0.02 . 1 . . . . 120 MET HB2 . 17131 1 985 . 1 1 120 120 MET HB3 H 1 2.00 0.02 . 1 . . . . 120 MET HB3 . 17131 1 986 . 1 1 120 120 MET HG2 H 1 2.54 0.02 . 2 . . . . 120 MET HG2 . 17131 1 987 . 1 1 120 120 MET HG3 H 1 2.33 0.02 . 2 . . . . 120 MET HG3 . 17131 1 988 . 1 1 120 120 MET C C 13 178.97 0.05 . 1 . . . . 120 MET C . 17131 1 989 . 1 1 120 120 MET CA C 13 58.43 0.05 . 1 . . . . 120 MET CA . 17131 1 990 . 1 1 120 120 MET CB C 13 32.47 0.05 . 1 . . . . 120 MET CB . 17131 1 991 . 1 1 120 120 MET CE C 13 16.78 0.05 . 1 . . . . 120 MET CE . 17131 1 992 . 1 1 120 120 MET CG C 13 31.84 0.05 . 1 . . . . 120 MET CG . 17131 1 993 . 1 1 120 120 MET N N 15 120.77 0.05 . 1 . . . . 120 MET N . 17131 1 994 . 1 1 121 121 PHE H H 1 8.38 0.02 . 1 . . . . 121 PHE H . 17131 1 995 . 1 1 121 121 PHE HA H 1 4.39 0.02 . 1 . . . . 121 PHE HA . 17131 1 996 . 1 1 121 121 PHE HB2 H 1 3.25 0.02 . 2 . . . . 121 PHE HB2 . 17131 1 997 . 1 1 121 121 PHE HB3 H 1 2.88 0.02 . 2 . . . . 121 PHE HB3 . 17131 1 998 . 1 1 121 121 PHE HD1 H 1 7.16 0.02 . 1 . . . . 121 PHE HD1 . 17131 1 999 . 1 1 121 121 PHE HD2 H 1 7.16 0.02 . 1 . . . . 121 PHE HD2 . 17131 1 1000 . 1 1 121 121 PHE C C 13 178.14 0.05 . 1 . . . . 121 PHE C . 17131 1 1001 . 1 1 121 121 PHE CA C 13 60.50 0.05 . 1 . . . . 121 PHE CA . 17131 1 1002 . 1 1 121 121 PHE CB C 13 38.59 0.05 . 1 . . . . 121 PHE CB . 17131 1 1003 . 1 1 121 121 PHE N N 15 119.33 0.05 . 1 . . . . 121 PHE N . 17131 1 1004 . 1 1 122 122 ALA H H 1 8.39 0.02 . 1 . . . . 122 ALA H . 17131 1 1005 . 1 1 122 122 ALA HA H 1 4.18 0.02 . 1 . . . . 122 ALA HA . 17131 1 1006 . 1 1 122 122 ALA C C 13 178.82 0.05 . 1 . . . . 122 ALA C . 17131 1 1007 . 1 1 122 122 ALA CA C 13 54.08 0.05 . 1 . . . . 122 ALA CA . 17131 1 1008 . 1 1 122 122 ALA CB C 13 19.12 0.05 . 1 . . . . 122 ALA CB . 17131 1 1009 . 1 1 122 122 ALA N N 15 122.01 0.05 . 1 . . . . 122 ALA N . 17131 1 1010 . 1 1 123 123 GLN H H 1 7.75 0.02 . 1 . . . . 123 GLN H . 17131 1 1011 . 1 1 123 123 GLN HA H 1 4.17 0.02 . 1 . . . . 123 GLN HA . 17131 1 1012 . 1 1 123 123 GLN HB2 H 1 2.10 0.02 . 1 . . . . 123 GLN HB2 . 17131 1 1013 . 1 1 123 123 GLN HB3 H 1 2.10 0.02 . 1 . . . . 123 GLN HB3 . 17131 1 1014 . 1 1 123 123 GLN C C 13 176.68 0.05 . 1 . . . . 123 GLN C . 17131 1 1015 . 1 1 123 123 GLN CA C 13 56.93 0.05 . 1 . . . . 123 GLN CA . 17131 1 1016 . 1 1 123 123 GLN CB C 13 29.00 0.05 . 1 . . . . 123 GLN CB . 17131 1 1017 . 1 1 123 123 GLN CG C 13 33.93 0.05 . 1 . . . . 123 GLN CG . 17131 1 1018 . 1 1 123 123 GLN N N 15 117.12 0.05 . 1 . . . . 123 GLN N . 17131 1 1019 . 1 1 124 124 ALA H H 1 7.90 0.02 . 1 . . . . 124 ALA H . 17131 1 1020 . 1 1 124 124 ALA HA H 1 4.24 0.02 . 1 . . . . 124 ALA HA . 17131 1 1021 . 1 1 124 124 ALA C C 13 178.44 0.05 . 1 . . . . 124 ALA C . 17131 1 1022 . 1 1 124 124 ALA CA C 13 53.50 0.05 . 1 . . . . 124 ALA CA . 17131 1 1023 . 1 1 124 124 ALA CB C 13 18.95 0.05 . 1 . . . . 124 ALA CB . 17131 1 1024 . 1 1 124 124 ALA N N 15 123.11 0.05 . 1 . . . . 124 ALA N . 17131 1 1025 . 1 1 125 125 SER H H 1 8.04 0.02 . 1 . . . . 125 SER H . 17131 1 1026 . 1 1 125 125 SER HA H 1 4.36 0.02 . 1 . . . . 125 SER HA . 17131 1 1027 . 1 1 125 125 SER HB2 H 1 4.25 0.02 . 2 . . . . 125 SER HB2 . 17131 1 1028 . 1 1 125 125 SER HB3 H 1 3.88 0.02 . 2 . . . . 125 SER HB3 . 17131 1 1029 . 1 1 125 125 SER C C 13 174.81 0.05 . 1 . . . . 125 SER C . 17131 1 1030 . 1 1 125 125 SER CA C 13 58.92 0.05 . 1 . . . . 125 SER CA . 17131 1 1031 . 1 1 125 125 SER CB C 13 63.67 0.05 . 1 . . . . 125 SER CB . 17131 1 1032 . 1 1 125 125 SER N N 15 113.88 0.05 . 1 . . . . 125 SER N . 17131 1 1033 . 1 1 126 126 ALA H H 1 8.02 0.02 . 1 . . . . 126 ALA H . 17131 1 1034 . 1 1 126 126 ALA HA H 1 4.27 0.02 . 1 . . . . 126 ALA HA . 17131 1 1035 . 1 1 126 126 ALA C C 13 177.63 0.05 . 1 . . . . 126 ALA C . 17131 1 1036 . 1 1 126 126 ALA CA C 13 52.99 0.05 . 1 . . . . 126 ALA CA . 17131 1 1037 . 1 1 126 126 ALA CB C 13 19.12 0.05 . 1 . . . . 126 ALA CB . 17131 1 1038 . 1 1 126 126 ALA N N 15 125.05 0.05 . 1 . . . . 126 ALA N . 17131 1 1039 . 1 1 127 127 ASN H H 1 8.13 0.02 . 1 . . . . 127 ASN H . 17131 1 1040 . 1 1 127 127 ASN HA H 1 4.63 0.02 . 1 . . . . 127 ASN HA . 17131 1 1041 . 1 1 127 127 ASN HB2 H 1 2.83 0.02 . 2 . . . . 127 ASN HB2 . 17131 1 1042 . 1 1 127 127 ASN HB3 H 1 2.72 0.02 . 2 . . . . 127 ASN HB3 . 17131 1 1043 . 1 1 127 127 ASN C C 13 174.97 0.05 . 1 . . . . 127 ASN C . 17131 1 1044 . 1 1 127 127 ASN CA C 13 53.45 0.05 . 1 . . . . 127 ASN CA . 17131 1 1045 . 1 1 127 127 ASN CB C 13 39.10 0.05 . 1 . . . . 127 ASN CB . 17131 1 1046 . 1 1 127 127 ASN N N 15 116.95 0.05 . 1 . . . . 127 ASN N . 17131 1 1047 . 1 1 128 128 ASP H H 1 8.12 0.02 . 1 . . . . 128 ASP H . 17131 1 1048 . 1 1 128 128 ASP HA H 1 4.55 0.02 . 1 . . . . 128 ASP HA . 17131 1 1049 . 1 1 128 128 ASP HB2 H 1 2.67 0.02 . 2 . . . . 128 ASP HB2 . 17131 1 1050 . 1 1 128 128 ASP HB3 H 1 2.59 0.02 . 2 . . . . 128 ASP HB3 . 17131 1 1051 . 1 1 128 128 ASP C C 13 176.24 0.05 . 1 . . . . 128 ASP C . 17131 1 1052 . 1 1 128 128 ASP CA C 13 54.51 0.05 . 1 . . . . 128 ASP CA . 17131 1 1053 . 1 1 128 128 ASP CB C 13 40.98 0.05 . 1 . . . . 128 ASP CB . 17131 1 1054 . 1 1 128 128 ASP N N 15 120.66 0.05 . 1 . . . . 128 ASP N . 17131 1 1055 . 1 1 129 129 VAL H H 1 7.84 0.02 . 1 . . . . 129 VAL H . 17131 1 1056 . 1 1 129 129 VAL HA H 1 3.94 0.02 . 1 . . . . 129 VAL HA . 17131 1 1057 . 1 1 129 129 VAL HB H 1 1.92 0.02 . 1 . . . . 129 VAL HB . 17131 1 1058 . 1 1 129 129 VAL C C 13 175.96 0.05 . 1 . . . . 129 VAL C . 17131 1 1059 . 1 1 129 129 VAL CA C 13 62.68 0.05 . 1 . . . . 129 VAL CA . 17131 1 1060 . 1 1 129 129 VAL CB C 13 32.47 0.05 . 1 . . . . 129 VAL CB . 17131 1 1061 . 1 1 129 129 VAL CG1 C 13 20.20 0.05 . 2 . . . . 129 VAL CG1 . 17131 1 1062 . 1 1 129 129 VAL CG2 C 13 21.30 0.05 . 2 . . . . 129 VAL CG2 . 17131 1 1063 . 1 1 129 129 VAL N N 15 119.40 0.05 . 1 . . . . 129 VAL N . 17131 1 1064 . 1 1 130 130 TYR H H 1 8.11 0.02 . 1 . . . . 130 TYR H . 17131 1 1065 . 1 1 130 130 TYR HA H 1 3.98 0.02 . 1 . . . . 130 TYR HA . 17131 1 1066 . 1 1 130 130 TYR HB2 H 1 2.91 0.02 . 1 . . . . 130 TYR HB2 . 17131 1 1067 . 1 1 130 130 TYR HB3 H 1 2.91 0.02 . 1 . . . . 130 TYR HB3 . 17131 1 1068 . 1 1 130 130 TYR C C 13 175.32 0.05 . 1 . . . . 130 TYR C . 17131 1 1069 . 1 1 130 130 TYR CA C 13 57.70 0.05 . 1 . . . . 130 TYR CA . 17131 1 1070 . 1 1 130 130 TYR CB C 13 38.58 0.05 . 1 . . . . 130 TYR CB . 17131 1 1071 . 1 1 130 130 TYR N N 15 122.84 0.05 . 1 . . . . 130 TYR N . 17131 1 1072 . 1 1 131 131 ALA H H 1 7.95 0.02 . 1 . . . . 131 ALA H . 17131 1 1073 . 1 1 131 131 ALA HA H 1 4.32 0.02 . 1 . . . . 131 ALA HA . 17131 1 1074 . 1 1 131 131 ALA C C 13 176.50 0.05 . 1 . . . . 131 ALA C . 17131 1 1075 . 1 1 131 131 ALA CA C 13 52.38 0.05 . 1 . . . . 131 ALA CA . 17131 1 1076 . 1 1 131 131 ALA CB C 13 19.55 0.05 . 1 . . . . 131 ALA CB . 17131 1 1077 . 1 1 131 131 ALA N N 15 126.00 0.05 . 1 . . . . 131 ALA N . 17131 1 1078 . 1 1 132 132 SER H H 1 7.78 0.02 . 1 . . . . 132 SER H . 17131 1 1079 . 1 1 132 132 SER HA H 1 4.18 0.02 . 1 . . . . 132 SER HA . 17131 1 1080 . 1 1 132 132 SER HB2 H 1 3.82 0.02 . 1 . . . . 132 SER HB2 . 17131 1 1081 . 1 1 132 132 SER HB3 H 1 3.82 0.02 . 1 . . . . 132 SER HB3 . 17131 1 1082 . 1 1 132 132 SER C C 13 178.75 0.05 . 1 . . . . 132 SER C . 17131 1 1083 . 1 1 132 132 SER CA C 13 60.01 0.05 . 1 . . . . 132 SER CA . 17131 1 1084 . 1 1 132 132 SER CB C 13 64.91 0.05 . 1 . . . . 132 SER CB . 17131 1 1085 . 1 1 132 132 SER N N 15 121.10 0.05 . 1 . . . . 132 SER N . 17131 1 stop_ save_