data_10147 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10147 _Entry.Title ; Solution structure of the CH domain from human Sperm flagellar protein 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-12-04 _Entry.Accession_date 2007-12-05 _Entry.Last_release_date 2008-12-10 _Entry.Original_release_date 2008-12-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 T. Tomizawa . . . 10147 2 S. Koshiba . . . 10147 3 S. Watanabe . . . 10147 4 T. Harada . . . 10147 5 T. Kigawa . . . 10147 6 S. Yokoyama . . . 10147 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10147 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 557 10147 '15N chemical shifts' 124 10147 '1H chemical shifts' 914 10147 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-12-10 2007-12-04 original author . 10147 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EE7 'BMRB Entry Tracking System' 10147 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10147 _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 'Solution structure of the CH domain from human Sperm flagellar protein 1' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 T. Tomizawa . . . 10147 1 2 S. Koshiba . . . 10147 1 3 S. Watanabe . . . 10147 1 4 T. Harada . . . 10147 1 5 T. Kigawa . . . 10147 1 6 S. Yokoyama . . . 10147 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10147 _Assembly.ID 1 _Assembly.Name 'Sperm flagellar protein 1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Sperm flagellar protein 1' 1 $entity_1 . . yes native no no . . . 10147 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 . PDB 2EE7 . . . . . . 10147 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10147 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CH domain' _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 ; GSSGSSGMASSVDEEALHQL YLWVDNIPLSRPKRNLSRDF SDGVLVAEVIKFYFPKMVEM HNYVPANSLQQKLSNWGHLN RKVLKRLNFSVPDDVMRKIA QCAPGVVELVLIPLRQRLEE RQRRRKQ ; _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 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2EE7 . "Solution Structure Of The Ch Domain From Human Sperm Flagellar Protein 1" . . . . . 100.00 127 100.00 100.00 1.29e-86 . . . . 10147 1 2 no DBJ BAG36504 . "unnamed protein product [Homo sapiens]" . . . . . 94.49 162 99.17 100.00 3.02e-80 . . . . 10147 1 3 no EMBL CAB45745 . "hypothetical protein [Homo sapiens]" . . . . . 94.49 162 100.00 100.00 1.06e-80 . . . . 10147 1 4 no GB AAH22476 . "SPEF1 protein [Homo sapiens]" . . . . . 94.49 162 100.00 100.00 1.06e-80 . . . . 10147 1 5 no GB ABQ59055 . "C20orf28 protein [Homo sapiens]" . . . . . 94.49 236 100.00 100.00 4.32e-80 . . . . 10147 1 6 no GB ADZ15948 . "sperm flagellar 1 [synthetic construct]" . . . . . 94.49 162 100.00 100.00 1.06e-80 . . . . 10147 1 7 no GB AIC59905 . "SPEF1, partial [synthetic construct]" . . . . . 94.49 157 100.00 100.00 8.42e-81 . . . . 10147 1 8 no GB EAX10503 . "chromosome 20 open reading frame 28, isoform CRA_a [Homo sapiens]" . . . . . 94.49 236 100.00 100.00 4.32e-80 . . . . 10147 1 9 no REF NP_001181610 . "sperm flagellar protein 1 [Macaca mulatta]" . . . . . 94.49 236 99.17 100.00 4.87e-80 . . . . 10147 1 10 no REF NP_056232 . "sperm flagellar protein 1 [Homo sapiens]" . . . . . 94.49 236 100.00 100.00 4.32e-80 . . . . 10147 1 11 no REF XP_001161874 . "PREDICTED: sperm flagellar protein 1 [Pan troglodytes]" . . . . . 94.49 236 99.17 100.00 1.40e-79 . . . . 10147 1 12 no REF XP_003821360 . "PREDICTED: sperm flagellar protein 1 [Pan paniscus]" . . . . . 94.49 236 99.17 100.00 1.40e-79 . . . . 10147 1 13 no REF XP_003905065 . "PREDICTED: sperm flagellar protein 1 isoform X2 [Papio anubis]" . . . . . 94.49 236 98.33 100.00 1.35e-79 . . . . 10147 1 14 no SP Q9Y4P9 . "RecName: Full=Sperm flagellar protein 1" . . . . . 94.49 236 100.00 100.00 4.32e-80 . . . . 10147 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CH domain' . 10147 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 . GLY . 10147 1 2 . SER . 10147 1 3 . SER . 10147 1 4 . GLY . 10147 1 5 . SER . 10147 1 6 . SER . 10147 1 7 . GLY . 10147 1 8 . MET . 10147 1 9 . ALA . 10147 1 10 . SER . 10147 1 11 . SER . 10147 1 12 . VAL . 10147 1 13 . ASP . 10147 1 14 . GLU . 10147 1 15 . GLU . 10147 1 16 . ALA . 10147 1 17 . LEU . 10147 1 18 . HIS . 10147 1 19 . GLN . 10147 1 20 . LEU . 10147 1 21 . TYR . 10147 1 22 . LEU . 10147 1 23 . TRP . 10147 1 24 . VAL . 10147 1 25 . ASP . 10147 1 26 . ASN . 10147 1 27 . ILE . 10147 1 28 . PRO . 10147 1 29 . LEU . 10147 1 30 . SER . 10147 1 31 . ARG . 10147 1 32 . PRO . 10147 1 33 . LYS . 10147 1 34 . ARG . 10147 1 35 . ASN . 10147 1 36 . LEU . 10147 1 37 . SER . 10147 1 38 . ARG . 10147 1 39 . ASP . 10147 1 40 . PHE . 10147 1 41 . SER . 10147 1 42 . ASP . 10147 1 43 . GLY . 10147 1 44 . VAL . 10147 1 45 . LEU . 10147 1 46 . VAL . 10147 1 47 . ALA . 10147 1 48 . GLU . 10147 1 49 . VAL . 10147 1 50 . ILE . 10147 1 51 . LYS . 10147 1 52 . PHE . 10147 1 53 . TYR . 10147 1 54 . PHE . 10147 1 55 . PRO . 10147 1 56 . LYS . 10147 1 57 . MET . 10147 1 58 . VAL . 10147 1 59 . GLU . 10147 1 60 . MET . 10147 1 61 . HIS . 10147 1 62 . ASN . 10147 1 63 . TYR . 10147 1 64 . VAL . 10147 1 65 . PRO . 10147 1 66 . ALA . 10147 1 67 . ASN . 10147 1 68 . SER . 10147 1 69 . LEU . 10147 1 70 . GLN . 10147 1 71 . GLN . 10147 1 72 . LYS . 10147 1 73 . LEU . 10147 1 74 . SER . 10147 1 75 . ASN . 10147 1 76 . TRP . 10147 1 77 . GLY . 10147 1 78 . HIS . 10147 1 79 . LEU . 10147 1 80 . ASN . 10147 1 81 . ARG . 10147 1 82 . LYS . 10147 1 83 . VAL . 10147 1 84 . LEU . 10147 1 85 . LYS . 10147 1 86 . ARG . 10147 1 87 . LEU . 10147 1 88 . ASN . 10147 1 89 . PHE . 10147 1 90 . SER . 10147 1 91 . VAL . 10147 1 92 . PRO . 10147 1 93 . ASP . 10147 1 94 . ASP . 10147 1 95 . VAL . 10147 1 96 . MET . 10147 1 97 . ARG . 10147 1 98 . LYS . 10147 1 99 . ILE . 10147 1 100 . ALA . 10147 1 101 . GLN . 10147 1 102 . CYS . 10147 1 103 . ALA . 10147 1 104 . PRO . 10147 1 105 . GLY . 10147 1 106 . VAL . 10147 1 107 . VAL . 10147 1 108 . GLU . 10147 1 109 . LEU . 10147 1 110 . VAL . 10147 1 111 . LEU . 10147 1 112 . ILE . 10147 1 113 . PRO . 10147 1 114 . LEU . 10147 1 115 . ARG . 10147 1 116 . GLN . 10147 1 117 . ARG . 10147 1 118 . LEU . 10147 1 119 . GLU . 10147 1 120 . GLU . 10147 1 121 . ARG . 10147 1 122 . GLN . 10147 1 123 . ARG . 10147 1 124 . ARG . 10147 1 125 . ARG . 10147 1 126 . LYS . 10147 1 127 . GLN . 10147 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 . GLY 1 1 10147 1 . SER 2 2 10147 1 . SER 3 3 10147 1 . GLY 4 4 10147 1 . SER 5 5 10147 1 . SER 6 6 10147 1 . GLY 7 7 10147 1 . MET 8 8 10147 1 . ALA 9 9 10147 1 . SER 10 10 10147 1 . SER 11 11 10147 1 . VAL 12 12 10147 1 . ASP 13 13 10147 1 . GLU 14 14 10147 1 . GLU 15 15 10147 1 . ALA 16 16 10147 1 . LEU 17 17 10147 1 . HIS 18 18 10147 1 . GLN 19 19 10147 1 . LEU 20 20 10147 1 . TYR 21 21 10147 1 . LEU 22 22 10147 1 . TRP 23 23 10147 1 . VAL 24 24 10147 1 . ASP 25 25 10147 1 . ASN 26 26 10147 1 . ILE 27 27 10147 1 . PRO 28 28 10147 1 . LEU 29 29 10147 1 . SER 30 30 10147 1 . ARG 31 31 10147 1 . PRO 32 32 10147 1 . LYS 33 33 10147 1 . ARG 34 34 10147 1 . ASN 35 35 10147 1 . LEU 36 36 10147 1 . SER 37 37 10147 1 . ARG 38 38 10147 1 . ASP 39 39 10147 1 . PHE 40 40 10147 1 . SER 41 41 10147 1 . ASP 42 42 10147 1 . GLY 43 43 10147 1 . VAL 44 44 10147 1 . LEU 45 45 10147 1 . VAL 46 46 10147 1 . ALA 47 47 10147 1 . GLU 48 48 10147 1 . VAL 49 49 10147 1 . ILE 50 50 10147 1 . LYS 51 51 10147 1 . PHE 52 52 10147 1 . TYR 53 53 10147 1 . PHE 54 54 10147 1 . PRO 55 55 10147 1 . LYS 56 56 10147 1 . MET 57 57 10147 1 . VAL 58 58 10147 1 . GLU 59 59 10147 1 . MET 60 60 10147 1 . HIS 61 61 10147 1 . ASN 62 62 10147 1 . TYR 63 63 10147 1 . VAL 64 64 10147 1 . PRO 65 65 10147 1 . ALA 66 66 10147 1 . ASN 67 67 10147 1 . SER 68 68 10147 1 . LEU 69 69 10147 1 . GLN 70 70 10147 1 . GLN 71 71 10147 1 . LYS 72 72 10147 1 . LEU 73 73 10147 1 . SER 74 74 10147 1 . ASN 75 75 10147 1 . TRP 76 76 10147 1 . GLY 77 77 10147 1 . HIS 78 78 10147 1 . LEU 79 79 10147 1 . ASN 80 80 10147 1 . ARG 81 81 10147 1 . LYS 82 82 10147 1 . VAL 83 83 10147 1 . LEU 84 84 10147 1 . LYS 85 85 10147 1 . ARG 86 86 10147 1 . LEU 87 87 10147 1 . ASN 88 88 10147 1 . PHE 89 89 10147 1 . SER 90 90 10147 1 . VAL 91 91 10147 1 . PRO 92 92 10147 1 . ASP 93 93 10147 1 . ASP 94 94 10147 1 . VAL 95 95 10147 1 . MET 96 96 10147 1 . ARG 97 97 10147 1 . LYS 98 98 10147 1 . ILE 99 99 10147 1 . ALA 100 100 10147 1 . GLN 101 101 10147 1 . CYS 102 102 10147 1 . ALA 103 103 10147 1 . PRO 104 104 10147 1 . GLY 105 105 10147 1 . VAL 106 106 10147 1 . VAL 107 107 10147 1 . GLU 108 108 10147 1 . LEU 109 109 10147 1 . VAL 110 110 10147 1 . LEU 111 111 10147 1 . ILE 112 112 10147 1 . PRO 113 113 10147 1 . LEU 114 114 10147 1 . ARG 115 115 10147 1 . GLN 116 116 10147 1 . ARG 117 117 10147 1 . LEU 118 118 10147 1 . GLU 119 119 10147 1 . GLU 120 120 10147 1 . ARG 121 121 10147 1 . GLN 122 122 10147 1 . ARG 123 123 10147 1 . ARG 124 124 10147 1 . ARG 125 125 10147 1 . LYS 126 126 10147 1 . GLN 127 127 10147 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 10147 _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 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10147 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 10147 _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 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P060522-17 . . . . . . 10147 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10147 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CH domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.22 . . mM . . . . 10147 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10147 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10147 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10147 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10147 1 6 H2O . . . . . . solvent 90 . . % . . . . 10147 1 7 D2O . . . . . . solvent 10 . . % . . . . 10147 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10147 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 10147 1 pH 7.0 0.05 pH 10147 1 pressure 1 0.001 atm 10147 1 temperature 296 0.1 K 10147 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10147 _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 . . 10147 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10147 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10147 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20060524 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F' . . 10147 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10147 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10147 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10147 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10147 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10147 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9823 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10147 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10147 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10147 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guentert, P.' . . 10147 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10147 5 'structure solution' 10147 5 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 10147 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 10147 _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 II' . 900 . . . 10147 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 10147 _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 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10147 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10147 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10147 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10147 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10147 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10147 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10147 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10147 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10147 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 6 6 SER CA C 13 58.715 0.300 . 1 . . . . 6 SER CA . 10147 1 2 . 1 1 6 6 SER HA H 1 4.472 0.030 . 1 . . . . 6 SER HA . 10147 1 3 . 1 1 6 6 SER CB C 13 63.934 0.300 . 1 . . . . 6 SER CB . 10147 1 4 . 1 1 6 6 SER HB2 H 1 3.906 0.030 . 1 . . . . 6 SER HB2 . 10147 1 5 . 1 1 6 6 SER HB3 H 1 3.906 0.030 . 1 . . . . 6 SER HB3 . 10147 1 6 . 1 1 6 6 SER C C 13 174.927 0.300 . 1 . . . . 6 SER C . 10147 1 7 . 1 1 7 7 GLY N N 15 110.435 0.300 . 1 . . . . 7 GLY N . 10147 1 8 . 1 1 7 7 GLY H H 1 8.348 0.030 . 1 . . . . 7 GLY H . 10147 1 9 . 1 1 7 7 GLY CA C 13 45.364 0.300 . 1 . . . . 7 GLY CA . 10147 1 10 . 1 1 7 7 GLY HA2 H 1 3.919 0.030 . 1 . . . . 7 GLY HA2 . 10147 1 11 . 1 1 7 7 GLY HA3 H 1 3.919 0.030 . 1 . . . . 7 GLY HA3 . 10147 1 12 . 1 1 7 7 GLY C C 13 173.952 0.300 . 1 . . . . 7 GLY C . 10147 1 13 . 1 1 8 8 MET N N 15 119.481 0.300 . 1 . . . . 8 MET N . 10147 1 14 . 1 1 8 8 MET H H 1 8.163 0.030 . 1 . . . . 8 MET H . 10147 1 15 . 1 1 8 8 MET CA C 13 55.472 0.300 . 1 . . . . 8 MET CA . 10147 1 16 . 1 1 8 8 MET HA H 1 4.486 0.030 . 1 . . . . 8 MET HA . 10147 1 17 . 1 1 8 8 MET CB C 13 33.598 0.300 . 1 . . . . 8 MET CB . 10147 1 18 . 1 1 8 8 MET HB2 H 1 1.982 0.030 . 2 . . . . 8 MET HB2 . 10147 1 19 . 1 1 8 8 MET HB3 H 1 2.080 0.030 . 2 . . . . 8 MET HB3 . 10147 1 20 . 1 1 8 8 MET CG C 13 31.994 0.300 . 1 . . . . 8 MET CG . 10147 1 21 . 1 1 8 8 MET HG2 H 1 2.531 0.030 . 2 . . . . 8 MET HG2 . 10147 1 22 . 1 1 8 8 MET HG3 H 1 2.562 0.030 . 2 . . . . 8 MET HG3 . 10147 1 23 . 1 1 8 8 MET CE C 13 17.303 0.300 . 1 . . . . 8 MET CE . 10147 1 24 . 1 1 8 8 MET HE1 H 1 2.062 0.030 . 1 . . . . 8 MET HE . 10147 1 25 . 1 1 8 8 MET HE2 H 1 2.062 0.030 . 1 . . . . 8 MET HE . 10147 1 26 . 1 1 8 8 MET HE3 H 1 2.062 0.030 . 1 . . . . 8 MET HE . 10147 1 27 . 1 1 8 8 MET C C 13 176.019 0.300 . 1 . . . . 8 MET C . 10147 1 28 . 1 1 9 9 ALA N N 15 125.433 0.300 . 1 . . . . 9 ALA N . 10147 1 29 . 1 1 9 9 ALA H H 1 8.436 0.030 . 1 . . . . 9 ALA H . 10147 1 30 . 1 1 9 9 ALA CA C 13 52.481 0.300 . 1 . . . . 9 ALA CA . 10147 1 31 . 1 1 9 9 ALA HA H 1 4.381 0.030 . 1 . . . . 9 ALA HA . 10147 1 32 . 1 1 9 9 ALA CB C 13 19.322 0.300 . 1 . . . . 9 ALA CB . 10147 1 33 . 1 1 9 9 ALA HB1 H 1 1.420 0.030 . 1 . . . . 9 ALA HB . 10147 1 34 . 1 1 9 9 ALA HB2 H 1 1.420 0.030 . 1 . . . . 9 ALA HB . 10147 1 35 . 1 1 9 9 ALA HB3 H 1 1.420 0.030 . 1 . . . . 9 ALA HB . 10147 1 36 . 1 1 9 9 ALA C C 13 177.349 0.300 . 1 . . . . 9 ALA C . 10147 1 37 . 1 1 10 10 SER N N 15 114.383 0.300 . 1 . . . . 10 SER N . 10147 1 38 . 1 1 10 10 SER H H 1 8.372 0.030 . 1 . . . . 10 SER H . 10147 1 39 . 1 1 10 10 SER CA C 13 58.607 0.300 . 1 . . . . 10 SER CA . 10147 1 40 . 1 1 10 10 SER HA H 1 4.470 0.030 . 1 . . . . 10 SER HA . 10147 1 41 . 1 1 10 10 SER CB C 13 63.979 0.300 . 1 . . . . 10 SER CB . 10147 1 42 . 1 1 10 10 SER HB2 H 1 3.850 0.030 . 2 . . . . 10 SER HB2 . 10147 1 43 . 1 1 10 10 SER HB3 H 1 3.901 0.030 . 2 . . . . 10 SER HB3 . 10147 1 44 . 1 1 10 10 SER C C 13 174.323 0.300 . 1 . . . . 10 SER C . 10147 1 45 . 1 1 11 11 SER N N 15 116.549 0.300 . 1 . . . . 11 SER N . 10147 1 46 . 1 1 11 11 SER H H 1 8.111 0.030 . 1 . . . . 11 SER H . 10147 1 47 . 1 1 11 11 SER CA C 13 58.189 0.300 . 1 . . . . 11 SER CA . 10147 1 48 . 1 1 11 11 SER HA H 1 4.487 0.030 . 1 . . . . 11 SER HA . 10147 1 49 . 1 1 11 11 SER CB C 13 64.081 0.300 . 1 . . . . 11 SER CB . 10147 1 50 . 1 1 11 11 SER HB2 H 1 3.861 0.030 . 1 . . . . 11 SER HB2 . 10147 1 51 . 1 1 11 11 SER HB3 H 1 3.861 0.030 . 1 . . . . 11 SER HB3 . 10147 1 52 . 1 1 11 11 SER C C 13 173.692 0.300 . 1 . . . . 11 SER C . 10147 1 53 . 1 1 12 12 VAL N N 15 120.502 0.300 . 1 . . . . 12 VAL N . 10147 1 54 . 1 1 12 12 VAL H H 1 8.207 0.030 . 1 . . . . 12 VAL H . 10147 1 55 . 1 1 12 12 VAL CA C 13 61.847 0.300 . 1 . . . . 12 VAL CA . 10147 1 56 . 1 1 12 12 VAL HA H 1 4.150 0.030 . 1 . . . . 12 VAL HA . 10147 1 57 . 1 1 12 12 VAL CB C 13 33.269 0.300 . 1 . . . . 12 VAL CB . 10147 1 58 . 1 1 12 12 VAL HB H 1 1.988 0.030 . 1 . . . . 12 VAL HB . 10147 1 59 . 1 1 12 12 VAL CG1 C 13 20.614 0.300 . 2 . . . . 12 VAL CG1 . 10147 1 60 . 1 1 12 12 VAL HG11 H 1 0.831 0.030 . 1 . . . . 12 VAL HG1 . 10147 1 61 . 1 1 12 12 VAL HG12 H 1 0.831 0.030 . 1 . . . . 12 VAL HG1 . 10147 1 62 . 1 1 12 12 VAL HG13 H 1 0.831 0.030 . 1 . . . . 12 VAL HG1 . 10147 1 63 . 1 1 12 12 VAL CG2 C 13 21.599 0.300 . 2 . . . . 12 VAL CG2 . 10147 1 64 . 1 1 12 12 VAL HG21 H 1 0.851 0.030 . 1 . . . . 12 VAL HG2 . 10147 1 65 . 1 1 12 12 VAL HG22 H 1 0.851 0.030 . 1 . . . . 12 VAL HG2 . 10147 1 66 . 1 1 12 12 VAL HG23 H 1 0.851 0.030 . 1 . . . . 12 VAL HG2 . 10147 1 67 . 1 1 12 12 VAL C C 13 174.930 0.300 . 1 . . . . 12 VAL C . 10147 1 68 . 1 1 13 13 ASP N N 15 124.104 0.300 . 1 . . . . 13 ASP N . 10147 1 69 . 1 1 13 13 ASP H H 1 7.953 0.030 . 1 . . . . 13 ASP H . 10147 1 70 . 1 1 13 13 ASP CA C 13 53.249 0.300 . 1 . . . . 13 ASP CA . 10147 1 71 . 1 1 13 13 ASP HA H 1 4.661 0.030 . 1 . . . . 13 ASP HA . 10147 1 72 . 1 1 13 13 ASP CB C 13 41.891 0.300 . 1 . . . . 13 ASP CB . 10147 1 73 . 1 1 13 13 ASP HB2 H 1 2.923 0.030 . 2 . . . . 13 ASP HB2 . 10147 1 74 . 1 1 13 13 ASP HB3 H 1 2.730 0.030 . 2 . . . . 13 ASP HB3 . 10147 1 75 . 1 1 13 13 ASP C C 13 176.009 0.300 . 1 . . . . 13 ASP C . 10147 1 76 . 1 1 14 14 GLU N N 15 120.197 0.300 . 1 . . . . 14 GLU N . 10147 1 77 . 1 1 14 14 GLU H H 1 8.568 0.030 . 1 . . . . 14 GLU H . 10147 1 78 . 1 1 14 14 GLU CA C 13 59.932 0.300 . 1 . . . . 14 GLU CA . 10147 1 79 . 1 1 14 14 GLU HA H 1 3.944 0.030 . 1 . . . . 14 GLU HA . 10147 1 80 . 1 1 14 14 GLU CB C 13 29.670 0.300 . 1 . . . . 14 GLU CB . 10147 1 81 . 1 1 14 14 GLU HB2 H 1 2.051 0.030 . 1 . . . . 14 GLU HB2 . 10147 1 82 . 1 1 14 14 GLU HB3 H 1 2.051 0.030 . 1 . . . . 14 GLU HB3 . 10147 1 83 . 1 1 14 14 GLU CG C 13 36.579 0.300 . 1 . . . . 14 GLU CG . 10147 1 84 . 1 1 14 14 GLU HG2 H 1 2.287 0.030 . 2 . . . . 14 GLU HG2 . 10147 1 85 . 1 1 14 14 GLU HG3 H 1 2.354 0.030 . 2 . . . . 14 GLU HG3 . 10147 1 86 . 1 1 14 14 GLU C C 13 178.863 0.300 . 1 . . . . 14 GLU C . 10147 1 87 . 1 1 15 15 GLU N N 15 120.713 0.300 . 1 . . . . 15 GLU N . 10147 1 88 . 1 1 15 15 GLU H H 1 8.312 0.030 . 1 . . . . 15 GLU H . 10147 1 89 . 1 1 15 15 GLU CA C 13 59.101 0.300 . 1 . . . . 15 GLU CA . 10147 1 90 . 1 1 15 15 GLU HA H 1 4.244 0.030 . 1 . . . . 15 GLU HA . 10147 1 91 . 1 1 15 15 GLU CB C 13 28.917 0.300 . 1 . . . . 15 GLU CB . 10147 1 92 . 1 1 15 15 GLU HB2 H 1 2.034 0.030 . 2 . . . . 15 GLU HB2 . 10147 1 93 . 1 1 15 15 GLU HB3 H 1 2.106 0.030 . 2 . . . . 15 GLU HB3 . 10147 1 94 . 1 1 15 15 GLU CG C 13 35.988 0.300 . 1 . . . . 15 GLU CG . 10147 1 95 . 1 1 15 15 GLU HG2 H 1 2.333 0.030 . 1 . . . . 15 GLU HG2 . 10147 1 96 . 1 1 15 15 GLU HG3 H 1 2.333 0.030 . 1 . . . . 15 GLU HG3 . 10147 1 97 . 1 1 15 15 GLU C C 13 178.511 0.300 . 1 . . . . 15 GLU C . 10147 1 98 . 1 1 16 16 ALA N N 15 123.041 0.300 . 1 . . . . 16 ALA N . 10147 1 99 . 1 1 16 16 ALA H H 1 8.047 0.030 . 1 . . . . 16 ALA H . 10147 1 100 . 1 1 16 16 ALA CA C 13 54.830 0.300 . 1 . . . . 16 ALA CA . 10147 1 101 . 1 1 16 16 ALA HA H 1 4.093 0.030 . 1 . . . . 16 ALA HA . 10147 1 102 . 1 1 16 16 ALA CB C 13 18.371 0.300 . 1 . . . . 16 ALA CB . 10147 1 103 . 1 1 16 16 ALA HB1 H 1 1.473 0.030 . 1 . . . . 16 ALA HB . 10147 1 104 . 1 1 16 16 ALA HB2 H 1 1.473 0.030 . 1 . . . . 16 ALA HB . 10147 1 105 . 1 1 16 16 ALA HB3 H 1 1.473 0.030 . 1 . . . . 16 ALA HB . 10147 1 106 . 1 1 16 16 ALA C C 13 181.428 0.300 . 1 . . . . 16 ALA C . 10147 1 107 . 1 1 17 17 LEU N N 15 119.436 0.300 . 1 . . . . 17 LEU N . 10147 1 108 . 1 1 17 17 LEU H H 1 8.042 0.030 . 1 . . . . 17 LEU H . 10147 1 109 . 1 1 17 17 LEU CA C 13 57.623 0.300 . 1 . . . . 17 LEU CA . 10147 1 110 . 1 1 17 17 LEU HA H 1 3.838 0.030 . 1 . . . . 17 LEU HA . 10147 1 111 . 1 1 17 17 LEU CB C 13 41.323 0.300 . 1 . . . . 17 LEU CB . 10147 1 112 . 1 1 17 17 LEU HB2 H 1 1.726 0.030 . 2 . . . . 17 LEU HB2 . 10147 1 113 . 1 1 17 17 LEU HB3 H 1 1.509 0.030 . 2 . . . . 17 LEU HB3 . 10147 1 114 . 1 1 17 17 LEU CG C 13 26.685 0.300 . 1 . . . . 17 LEU CG . 10147 1 115 . 1 1 17 17 LEU HG H 1 1.573 0.030 . 1 . . . . 17 LEU HG . 10147 1 116 . 1 1 17 17 LEU CD1 C 13 24.757 0.300 . 2 . . . . 17 LEU CD1 . 10147 1 117 . 1 1 17 17 LEU HD11 H 1 0.855 0.030 . 1 . . . . 17 LEU HD1 . 10147 1 118 . 1 1 17 17 LEU HD12 H 1 0.855 0.030 . 1 . . . . 17 LEU HD1 . 10147 1 119 . 1 1 17 17 LEU HD13 H 1 0.855 0.030 . 1 . . . . 17 LEU HD1 . 10147 1 120 . 1 1 17 17 LEU CD2 C 13 23.610 0.300 . 2 . . . . 17 LEU CD2 . 10147 1 121 . 1 1 17 17 LEU HD21 H 1 0.826 0.030 . 1 . . . . 17 LEU HD2 . 10147 1 122 . 1 1 17 17 LEU HD22 H 1 0.826 0.030 . 1 . . . . 17 LEU HD2 . 10147 1 123 . 1 1 17 17 LEU HD23 H 1 0.826 0.030 . 1 . . . . 17 LEU HD2 . 10147 1 124 . 1 1 17 17 LEU C C 13 177.590 0.300 . 1 . . . . 17 LEU C . 10147 1 125 . 1 1 18 18 HIS N N 15 118.394 0.300 . 1 . . . . 18 HIS N . 10147 1 126 . 1 1 18 18 HIS H H 1 8.182 0.030 . 1 . . . . 18 HIS H . 10147 1 127 . 1 1 18 18 HIS CA C 13 59.415 0.300 . 1 . . . . 18 HIS CA . 10147 1 128 . 1 1 18 18 HIS HA H 1 4.435 0.030 . 1 . . . . 18 HIS HA . 10147 1 129 . 1 1 18 18 HIS CB C 13 29.560 0.300 . 1 . . . . 18 HIS CB . 10147 1 130 . 1 1 18 18 HIS HB2 H 1 3.307 0.030 . 2 . . . . 18 HIS HB2 . 10147 1 131 . 1 1 18 18 HIS HB3 H 1 3.412 0.030 . 2 . . . . 18 HIS HB3 . 10147 1 132 . 1 1 18 18 HIS CD2 C 13 119.916 0.300 . 1 . . . . 18 HIS CD2 . 10147 1 133 . 1 1 18 18 HIS HD2 H 1 7.144 0.030 . 1 . . . . 18 HIS HD2 . 10147 1 134 . 1 1 18 18 HIS CE1 C 13 137.727 0.300 . 1 . . . . 18 HIS CE1 . 10147 1 135 . 1 1 18 18 HIS HE1 H 1 8.137 0.030 . 1 . . . . 18 HIS HE1 . 10147 1 136 . 1 1 18 18 HIS C C 13 178.114 0.300 . 1 . . . . 18 HIS C . 10147 1 137 . 1 1 19 19 GLN N N 15 115.623 0.300 . 1 . . . . 19 GLN N . 10147 1 138 . 1 1 19 19 GLN H H 1 8.178 0.030 . 1 . . . . 19 GLN H . 10147 1 139 . 1 1 19 19 GLN CA C 13 58.406 0.300 . 1 . . . . 19 GLN CA . 10147 1 140 . 1 1 19 19 GLN HA H 1 3.904 0.030 . 1 . . . . 19 GLN HA . 10147 1 141 . 1 1 19 19 GLN CB C 13 28.118 0.300 . 1 . . . . 19 GLN CB . 10147 1 142 . 1 1 19 19 GLN HB2 H 1 2.118 0.030 . 1 . . . . 19 GLN HB2 . 10147 1 143 . 1 1 19 19 GLN HB3 H 1 2.118 0.030 . 1 . . . . 19 GLN HB3 . 10147 1 144 . 1 1 19 19 GLN CG C 13 33.722 0.300 . 1 . . . . 19 GLN CG . 10147 1 145 . 1 1 19 19 GLN HG2 H 1 2.571 0.030 . 1 . . . . 19 GLN HG2 . 10147 1 146 . 1 1 19 19 GLN HG3 H 1 2.571 0.030 . 1 . . . . 19 GLN HG3 . 10147 1 147 . 1 1 19 19 GLN NE2 N 15 113.530 0.300 . 1 . . . . 19 GLN NE2 . 10147 1 148 . 1 1 19 19 GLN HE21 H 1 6.893 0.030 . 2 . . . . 19 GLN HE21 . 10147 1 149 . 1 1 19 19 GLN HE22 H 1 7.835 0.030 . 2 . . . . 19 GLN HE22 . 10147 1 150 . 1 1 19 19 GLN C C 13 179.132 0.300 . 1 . . . . 19 GLN C . 10147 1 151 . 1 1 20 20 LEU N N 15 122.817 0.300 . 1 . . . . 20 LEU N . 10147 1 152 . 1 1 20 20 LEU H H 1 7.949 0.030 . 1 . . . . 20 LEU H . 10147 1 153 . 1 1 20 20 LEU CA C 13 58.278 0.300 . 1 . . . . 20 LEU CA . 10147 1 154 . 1 1 20 20 LEU HA H 1 4.233 0.030 . 1 . . . . 20 LEU HA . 10147 1 155 . 1 1 20 20 LEU CB C 13 40.850 0.300 . 1 . . . . 20 LEU CB . 10147 1 156 . 1 1 20 20 LEU HB2 H 1 1.580 0.030 . 2 . . . . 20 LEU HB2 . 10147 1 157 . 1 1 20 20 LEU HB3 H 1 2.087 0.030 . 2 . . . . 20 LEU HB3 . 10147 1 158 . 1 1 20 20 LEU CG C 13 27.110 0.300 . 1 . . . . 20 LEU CG . 10147 1 159 . 1 1 20 20 LEU HG H 1 1.571 0.030 . 1 . . . . 20 LEU HG . 10147 1 160 . 1 1 20 20 LEU CD1 C 13 24.095 0.300 . 2 . . . . 20 LEU CD1 . 10147 1 161 . 1 1 20 20 LEU HD11 H 1 0.959 0.030 . 1 . . . . 20 LEU HD1 . 10147 1 162 . 1 1 20 20 LEU HD12 H 1 0.959 0.030 . 1 . . . . 20 LEU HD1 . 10147 1 163 . 1 1 20 20 LEU HD13 H 1 0.959 0.030 . 1 . . . . 20 LEU HD1 . 10147 1 164 . 1 1 20 20 LEU CD2 C 13 26.057 0.300 . 2 . . . . 20 LEU CD2 . 10147 1 165 . 1 1 20 20 LEU HD21 H 1 0.860 0.030 . 1 . . . . 20 LEU HD2 . 10147 1 166 . 1 1 20 20 LEU HD22 H 1 0.860 0.030 . 1 . . . . 20 LEU HD2 . 10147 1 167 . 1 1 20 20 LEU HD23 H 1 0.860 0.030 . 1 . . . . 20 LEU HD2 . 10147 1 168 . 1 1 20 20 LEU C C 13 178.466 0.300 . 1 . . . . 20 LEU C . 10147 1 169 . 1 1 21 21 TYR N N 15 118.825 0.300 . 1 . . . . 21 TYR N . 10147 1 170 . 1 1 21 21 TYR H H 1 8.376 0.030 . 1 . . . . 21 TYR H . 10147 1 171 . 1 1 21 21 TYR CA C 13 60.605 0.300 . 1 . . . . 21 TYR CA . 10147 1 172 . 1 1 21 21 TYR HA H 1 4.286 0.030 . 1 . . . . 21 TYR HA . 10147 1 173 . 1 1 21 21 TYR CB C 13 36.667 0.300 . 1 . . . . 21 TYR CB . 10147 1 174 . 1 1 21 21 TYR HB2 H 1 3.202 0.030 . 2 . . . . 21 TYR HB2 . 10147 1 175 . 1 1 21 21 TYR HB3 H 1 3.143 0.030 . 2 . . . . 21 TYR HB3 . 10147 1 176 . 1 1 21 21 TYR CD1 C 13 132.162 0.300 . 1 . . . . 21 TYR CD1 . 10147 1 177 . 1 1 21 21 TYR HD1 H 1 7.135 0.030 . 1 . . . . 21 TYR HD1 . 10147 1 178 . 1 1 21 21 TYR CD2 C 13 132.162 0.300 . 1 . . . . 21 TYR CD2 . 10147 1 179 . 1 1 21 21 TYR HD2 H 1 7.135 0.030 . 1 . . . . 21 TYR HD2 . 10147 1 180 . 1 1 21 21 TYR CE1 C 13 117.775 0.300 . 1 . . . . 21 TYR CE1 . 10147 1 181 . 1 1 21 21 TYR HE1 H 1 6.801 0.030 . 1 . . . . 21 TYR HE1 . 10147 1 182 . 1 1 21 21 TYR CE2 C 13 117.775 0.300 . 1 . . . . 21 TYR CE2 . 10147 1 183 . 1 1 21 21 TYR HE2 H 1 6.801 0.030 . 1 . . . . 21 TYR HE2 . 10147 1 184 . 1 1 21 21 TYR C C 13 178.654 0.300 . 1 . . . . 21 TYR C . 10147 1 185 . 1 1 22 22 LEU N N 15 118.954 0.300 . 1 . . . . 22 LEU N . 10147 1 186 . 1 1 22 22 LEU H H 1 7.869 0.030 . 1 . . . . 22 LEU H . 10147 1 187 . 1 1 22 22 LEU CA C 13 57.887 0.300 . 1 . . . . 22 LEU CA . 10147 1 188 . 1 1 22 22 LEU HA H 1 4.076 0.030 . 1 . . . . 22 LEU HA . 10147 1 189 . 1 1 22 22 LEU CB C 13 42.250 0.300 . 1 . . . . 22 LEU CB . 10147 1 190 . 1 1 22 22 LEU HB2 H 1 1.788 0.030 . 2 . . . . 22 LEU HB2 . 10147 1 191 . 1 1 22 22 LEU HB3 H 1 1.543 0.030 . 2 . . . . 22 LEU HB3 . 10147 1 192 . 1 1 22 22 LEU CG C 13 26.564 0.300 . 1 . . . . 22 LEU CG . 10147 1 193 . 1 1 22 22 LEU HG H 1 1.614 0.030 . 1 . . . . 22 LEU HG . 10147 1 194 . 1 1 22 22 LEU CD1 C 13 25.112 0.300 . 2 . . . . 22 LEU CD1 . 10147 1 195 . 1 1 22 22 LEU HD11 H 1 0.790 0.030 . 1 . . . . 22 LEU HD1 . 10147 1 196 . 1 1 22 22 LEU HD12 H 1 0.790 0.030 . 1 . . . . 22 LEU HD1 . 10147 1 197 . 1 1 22 22 LEU HD13 H 1 0.790 0.030 . 1 . . . . 22 LEU HD1 . 10147 1 198 . 1 1 22 22 LEU CD2 C 13 23.197 0.300 . 2 . . . . 22 LEU CD2 . 10147 1 199 . 1 1 22 22 LEU HD21 H 1 0.879 0.030 . 1 . . . . 22 LEU HD2 . 10147 1 200 . 1 1 22 22 LEU HD22 H 1 0.879 0.030 . 1 . . . . 22 LEU HD2 . 10147 1 201 . 1 1 22 22 LEU HD23 H 1 0.879 0.030 . 1 . . . . 22 LEU HD2 . 10147 1 202 . 1 1 22 22 LEU C C 13 178.877 0.300 . 1 . . . . 22 LEU C . 10147 1 203 . 1 1 23 23 TRP N N 15 120.668 0.300 . 1 . . . . 23 TRP N . 10147 1 204 . 1 1 23 23 TRP H H 1 7.804 0.030 . 1 . . . . 23 TRP H . 10147 1 205 . 1 1 23 23 TRP CA C 13 60.711 0.300 . 1 . . . . 23 TRP CA . 10147 1 206 . 1 1 23 23 TRP HA H 1 4.436 0.030 . 1 . . . . 23 TRP HA . 10147 1 207 . 1 1 23 23 TRP CB C 13 28.035 0.300 . 1 . . . . 23 TRP CB . 10147 1 208 . 1 1 23 23 TRP HB2 H 1 3.234 0.030 . 2 . . . . 23 TRP HB2 . 10147 1 209 . 1 1 23 23 TRP HB3 H 1 3.809 0.030 . 2 . . . . 23 TRP HB3 . 10147 1 210 . 1 1 23 23 TRP CD1 C 13 127.545 0.300 . 1 . . . . 23 TRP CD1 . 10147 1 211 . 1 1 23 23 TRP HD1 H 1 7.437 0.030 . 1 . . . . 23 TRP HD1 . 10147 1 212 . 1 1 23 23 TRP NE1 N 15 130.843 0.300 . 1 . . . . 23 TRP NE1 . 10147 1 213 . 1 1 23 23 TRP HE1 H 1 10.482 0.030 . 1 . . . . 23 TRP HE1 . 10147 1 214 . 1 1 23 23 TRP CE3 C 13 121.122 0.300 . 1 . . . . 23 TRP CE3 . 10147 1 215 . 1 1 23 23 TRP HE3 H 1 7.680 0.030 . 1 . . . . 23 TRP HE3 . 10147 1 216 . 1 1 23 23 TRP CZ2 C 13 113.594 0.300 . 1 . . . . 23 TRP CZ2 . 10147 1 217 . 1 1 23 23 TRP HZ2 H 1 7.193 0.030 . 1 . . . . 23 TRP HZ2 . 10147 1 218 . 1 1 23 23 TRP CZ3 C 13 120.326 0.300 . 1 . . . . 23 TRP CZ3 . 10147 1 219 . 1 1 23 23 TRP HZ3 H 1 6.704 0.030 . 1 . . . . 23 TRP HZ3 . 10147 1 220 . 1 1 23 23 TRP CH2 C 13 122.952 0.300 . 1 . . . . 23 TRP CH2 . 10147 1 221 . 1 1 23 23 TRP HH2 H 1 6.717 0.030 . 1 . . . . 23 TRP HH2 . 10147 1 222 . 1 1 23 23 TRP C C 13 178.471 0.300 . 1 . . . . 23 TRP C . 10147 1 223 . 1 1 24 24 VAL N N 15 116.831 0.300 . 1 . . . . 24 VAL N . 10147 1 224 . 1 1 24 24 VAL H H 1 8.503 0.030 . 1 . . . . 24 VAL H . 10147 1 225 . 1 1 24 24 VAL CA C 13 66.014 0.300 . 1 . . . . 24 VAL CA . 10147 1 226 . 1 1 24 24 VAL HA H 1 3.084 0.030 . 1 . . . . 24 VAL HA . 10147 1 227 . 1 1 24 24 VAL CB C 13 31.826 0.300 . 1 . . . . 24 VAL CB . 10147 1 228 . 1 1 24 24 VAL HB H 1 2.142 0.030 . 1 . . . . 24 VAL HB . 10147 1 229 . 1 1 24 24 VAL CG1 C 13 21.953 0.300 . 2 . . . . 24 VAL CG1 . 10147 1 230 . 1 1 24 24 VAL HG11 H 1 0.923 0.030 . 1 . . . . 24 VAL HG1 . 10147 1 231 . 1 1 24 24 VAL HG12 H 1 0.923 0.030 . 1 . . . . 24 VAL HG1 . 10147 1 232 . 1 1 24 24 VAL HG13 H 1 0.923 0.030 . 1 . . . . 24 VAL HG1 . 10147 1 233 . 1 1 24 24 VAL CG2 C 13 22.784 0.300 . 2 . . . . 24 VAL CG2 . 10147 1 234 . 1 1 24 24 VAL HG21 H 1 1.013 0.030 . 1 . . . . 24 VAL HG2 . 10147 1 235 . 1 1 24 24 VAL HG22 H 1 1.013 0.030 . 1 . . . . 24 VAL HG2 . 10147 1 236 . 1 1 24 24 VAL HG23 H 1 1.013 0.030 . 1 . . . . 24 VAL HG2 . 10147 1 237 . 1 1 24 24 VAL C C 13 178.212 0.300 . 1 . . . . 24 VAL C . 10147 1 238 . 1 1 25 25 ASP N N 15 117.894 0.300 . 1 . . . . 25 ASP N . 10147 1 239 . 1 1 25 25 ASP H H 1 8.140 0.030 . 1 . . . . 25 ASP H . 10147 1 240 . 1 1 25 25 ASP CA C 13 57.043 0.300 . 1 . . . . 25 ASP CA . 10147 1 241 . 1 1 25 25 ASP HA H 1 4.290 0.030 . 1 . . . . 25 ASP HA . 10147 1 242 . 1 1 25 25 ASP CB C 13 41.067 0.300 . 1 . . . . 25 ASP CB . 10147 1 243 . 1 1 25 25 ASP HB2 H 1 2.809 0.030 . 2 . . . . 25 ASP HB2 . 10147 1 244 . 1 1 25 25 ASP HB3 H 1 2.567 0.030 . 2 . . . . 25 ASP HB3 . 10147 1 245 . 1 1 25 25 ASP C C 13 177.163 0.300 . 1 . . . . 25 ASP C . 10147 1 246 . 1 1 26 26 ASN N N 15 114.914 0.300 . 1 . . . . 26 ASN N . 10147 1 247 . 1 1 26 26 ASN H H 1 7.229 0.030 . 1 . . . . 26 ASN H . 10147 1 248 . 1 1 26 26 ASN CA C 13 53.375 0.300 . 1 . . . . 26 ASN CA . 10147 1 249 . 1 1 26 26 ASN HA H 1 4.607 0.030 . 1 . . . . 26 ASN HA . 10147 1 250 . 1 1 26 26 ASN CB C 13 40.048 0.300 . 1 . . . . 26 ASN CB . 10147 1 251 . 1 1 26 26 ASN HB2 H 1 2.888 0.030 . 2 . . . . 26 ASN HB2 . 10147 1 252 . 1 1 26 26 ASN HB3 H 1 2.750 0.030 . 2 . . . . 26 ASN HB3 . 10147 1 253 . 1 1 26 26 ASN ND2 N 15 113.888 0.300 . 1 . . . . 26 ASN ND2 . 10147 1 254 . 1 1 26 26 ASN HD21 H 1 6.927 0.030 . 2 . . . . 26 ASN HD21 . 10147 1 255 . 1 1 26 26 ASN HD22 H 1 7.679 0.030 . 2 . . . . 26 ASN HD22 . 10147 1 256 . 1 1 26 26 ASN C C 13 174.227 0.300 . 1 . . . . 26 ASN C . 10147 1 257 . 1 1 27 27 ILE N N 15 123.268 0.300 . 1 . . . . 27 ILE N . 10147 1 258 . 1 1 27 27 ILE H H 1 7.212 0.030 . 1 . . . . 27 ILE H . 10147 1 259 . 1 1 27 27 ILE CA C 13 58.327 0.300 . 1 . . . . 27 ILE CA . 10147 1 260 . 1 1 27 27 ILE HA H 1 3.628 0.030 . 1 . . . . 27 ILE HA . 10147 1 261 . 1 1 27 27 ILE CB C 13 39.403 0.300 . 1 . . . . 27 ILE CB . 10147 1 262 . 1 1 27 27 ILE HB H 1 1.349 0.030 . 1 . . . . 27 ILE HB . 10147 1 263 . 1 1 27 27 ILE CG1 C 13 26.650 0.300 . 1 . . . . 27 ILE CG1 . 10147 1 264 . 1 1 27 27 ILE HG12 H 1 0.231 0.030 . 2 . . . . 27 ILE HG12 . 10147 1 265 . 1 1 27 27 ILE HG13 H 1 1.116 0.030 . 2 . . . . 27 ILE HG13 . 10147 1 266 . 1 1 27 27 ILE CG2 C 13 15.903 0.300 . 1 . . . . 27 ILE CG2 . 10147 1 267 . 1 1 27 27 ILE HG21 H 1 0.161 0.030 . 1 . . . . 27 ILE HG2 . 10147 1 268 . 1 1 27 27 ILE HG22 H 1 0.161 0.030 . 1 . . . . 27 ILE HG2 . 10147 1 269 . 1 1 27 27 ILE HG23 H 1 0.161 0.030 . 1 . . . . 27 ILE HG2 . 10147 1 270 . 1 1 27 27 ILE CD1 C 13 12.961 0.300 . 1 . . . . 27 ILE CD1 . 10147 1 271 . 1 1 27 27 ILE HD11 H 1 -0.082 0.030 . 1 . . . . 27 ILE HD1 . 10147 1 272 . 1 1 27 27 ILE HD12 H 1 -0.082 0.030 . 1 . . . . 27 ILE HD1 . 10147 1 273 . 1 1 27 27 ILE HD13 H 1 -0.082 0.030 . 1 . . . . 27 ILE HD1 . 10147 1 274 . 1 1 27 27 ILE C C 13 173.764 0.300 . 1 . . . . 27 ILE C . 10147 1 275 . 1 1 28 28 PRO CA C 13 62.584 0.300 . 1 . . . . 28 PRO CA . 10147 1 276 . 1 1 28 28 PRO HA H 1 4.354 0.030 . 1 . . . . 28 PRO HA . 10147 1 277 . 1 1 28 28 PRO CB C 13 30.056 0.300 . 1 . . . . 28 PRO CB . 10147 1 278 . 1 1 28 28 PRO HB2 H 1 1.914 0.030 . 1 . . . . 28 PRO HB2 . 10147 1 279 . 1 1 28 28 PRO HB3 H 1 1.914 0.030 . 1 . . . . 28 PRO HB3 . 10147 1 280 . 1 1 28 28 PRO CG C 13 27.652 0.300 . 1 . . . . 28 PRO CG . 10147 1 281 . 1 1 28 28 PRO HG2 H 1 1.862 0.030 . 2 . . . . 28 PRO HG2 . 10147 1 282 . 1 1 28 28 PRO HG3 H 1 1.971 0.030 . 2 . . . . 28 PRO HG3 . 10147 1 283 . 1 1 28 28 PRO CD C 13 50.654 0.300 . 1 . . . . 28 PRO CD . 10147 1 284 . 1 1 28 28 PRO HD2 H 1 3.274 0.030 . 2 . . . . 28 PRO HD2 . 10147 1 285 . 1 1 28 28 PRO HD3 H 1 2.692 0.030 . 2 . . . . 28 PRO HD3 . 10147 1 286 . 1 1 28 28 PRO C C 13 175.419 0.300 . 1 . . . . 28 PRO C . 10147 1 287 . 1 1 29 29 LEU N N 15 125.355 0.300 . 1 . . . . 29 LEU N . 10147 1 288 . 1 1 29 29 LEU H H 1 8.118 0.030 . 1 . . . . 29 LEU H . 10147 1 289 . 1 1 29 29 LEU CA C 13 53.358 0.300 . 1 . . . . 29 LEU CA . 10147 1 290 . 1 1 29 29 LEU HA H 1 4.748 0.030 . 1 . . . . 29 LEU HA . 10147 1 291 . 1 1 29 29 LEU CB C 13 45.279 0.300 . 1 . . . . 29 LEU CB . 10147 1 292 . 1 1 29 29 LEU HB2 H 1 1.589 0.030 . 2 . . . . 29 LEU HB2 . 10147 1 293 . 1 1 29 29 LEU HB3 H 1 1.386 0.030 . 2 . . . . 29 LEU HB3 . 10147 1 294 . 1 1 29 29 LEU CG C 13 26.366 0.300 . 1 . . . . 29 LEU CG . 10147 1 295 . 1 1 29 29 LEU HG H 1 1.593 0.030 . 1 . . . . 29 LEU HG . 10147 1 296 . 1 1 29 29 LEU CD1 C 13 26.206 0.300 . 2 . . . . 29 LEU CD1 . 10147 1 297 . 1 1 29 29 LEU HD11 H 1 0.772 0.030 . 1 . . . . 29 LEU HD1 . 10147 1 298 . 1 1 29 29 LEU HD12 H 1 0.772 0.030 . 1 . . . . 29 LEU HD1 . 10147 1 299 . 1 1 29 29 LEU HD13 H 1 0.772 0.030 . 1 . . . . 29 LEU HD1 . 10147 1 300 . 1 1 29 29 LEU CD2 C 13 23.949 0.300 . 2 . . . . 29 LEU CD2 . 10147 1 301 . 1 1 29 29 LEU HD21 H 1 0.800 0.030 . 1 . . . . 29 LEU HD2 . 10147 1 302 . 1 1 29 29 LEU HD22 H 1 0.800 0.030 . 1 . . . . 29 LEU HD2 . 10147 1 303 . 1 1 29 29 LEU HD23 H 1 0.800 0.030 . 1 . . . . 29 LEU HD2 . 10147 1 304 . 1 1 29 29 LEU C C 13 178.577 0.300 . 1 . . . . 29 LEU C . 10147 1 305 . 1 1 31 31 ARG CA C 13 53.250 0.300 . 1 . . . . 31 ARG CA . 10147 1 306 . 1 1 31 31 ARG HA H 1 4.787 0.030 . 1 . . . . 31 ARG HA . 10147 1 307 . 1 1 31 31 ARG CB C 13 32.107 0.300 . 1 . . . . 31 ARG CB . 10147 1 308 . 1 1 31 31 ARG HB2 H 1 1.972 0.030 . 2 . . . . 31 ARG HB2 . 10147 1 309 . 1 1 31 31 ARG HB3 H 1 1.324 0.030 . 2 . . . . 31 ARG HB3 . 10147 1 310 . 1 1 31 31 ARG CG C 13 29.626 0.300 . 1 . . . . 31 ARG CG . 10147 1 311 . 1 1 31 31 ARG HG2 H 1 1.645 0.030 . 1 . . . . 31 ARG HG2 . 10147 1 312 . 1 1 31 31 ARG HG3 H 1 1.645 0.030 . 1 . . . . 31 ARG HG3 . 10147 1 313 . 1 1 31 31 ARG CD C 13 43.652 0.300 . 1 . . . . 31 ARG CD . 10147 1 314 . 1 1 31 31 ARG HD2 H 1 2.902 0.030 . 2 . . . . 31 ARG HD2 . 10147 1 315 . 1 1 31 31 ARG HD3 H 1 3.174 0.030 . 2 . . . . 31 ARG HD3 . 10147 1 316 . 1 1 32 32 PRO CA C 13 62.865 0.300 . 1 . . . . 32 PRO CA . 10147 1 317 . 1 1 32 32 PRO HA H 1 4.300 0.030 . 1 . . . . 32 PRO HA . 10147 1 318 . 1 1 32 32 PRO CB C 13 32.193 0.300 . 1 . . . . 32 PRO CB . 10147 1 319 . 1 1 32 32 PRO HB2 H 1 2.293 0.030 . 2 . . . . 32 PRO HB2 . 10147 1 320 . 1 1 32 32 PRO HB3 H 1 1.772 0.030 . 2 . . . . 32 PRO HB3 . 10147 1 321 . 1 1 32 32 PRO CG C 13 27.416 0.300 . 1 . . . . 32 PRO CG . 10147 1 322 . 1 1 32 32 PRO HG2 H 1 1.970 0.030 . 1 . . . . 32 PRO HG2 . 10147 1 323 . 1 1 32 32 PRO HG3 H 1 1.970 0.030 . 1 . . . . 32 PRO HG3 . 10147 1 324 . 1 1 32 32 PRO CD C 13 50.640 0.300 . 1 . . . . 32 PRO CD . 10147 1 325 . 1 1 32 32 PRO HD2 H 1 3.743 0.030 . 2 . . . . 32 PRO HD2 . 10147 1 326 . 1 1 32 32 PRO HD3 H 1 3.551 0.030 . 2 . . . . 32 PRO HD3 . 10147 1 327 . 1 1 33 33 LYS CA C 13 56.154 0.300 . 1 . . . . 33 LYS CA . 10147 1 328 . 1 1 33 33 LYS HA H 1 4.361 0.030 . 1 . . . . 33 LYS HA . 10147 1 329 . 1 1 33 33 LYS CB C 13 32.368 0.300 . 1 . . . . 33 LYS CB . 10147 1 330 . 1 1 33 33 LYS HB2 H 1 1.653 0.030 . 2 . . . . 33 LYS HB2 . 10147 1 331 . 1 1 33 33 LYS HB3 H 1 1.820 0.030 . 2 . . . . 33 LYS HB3 . 10147 1 332 . 1 1 33 33 LYS CG C 13 24.294 0.300 . 1 . . . . 33 LYS CG . 10147 1 333 . 1 1 33 33 LYS HG2 H 1 1.323 0.030 . 2 . . . . 33 LYS HG2 . 10147 1 334 . 1 1 33 33 LYS HG3 H 1 1.497 0.030 . 2 . . . . 33 LYS HG3 . 10147 1 335 . 1 1 33 33 LYS CD C 13 30.211 0.300 . 1 . . . . 33 LYS CD . 10147 1 336 . 1 1 33 33 LYS HD2 H 1 1.639 0.030 . 2 . . . . 33 LYS HD2 . 10147 1 337 . 1 1 33 33 LYS HD3 H 1 1.667 0.030 . 2 . . . . 33 LYS HD3 . 10147 1 338 . 1 1 33 33 LYS CE C 13 42.539 0.300 . 1 . . . . 33 LYS CE . 10147 1 339 . 1 1 33 33 LYS HE2 H 1 2.931 0.030 . 2 . . . . 33 LYS HE2 . 10147 1 340 . 1 1 33 33 LYS HE3 H 1 2.988 0.030 . 2 . . . . 33 LYS HE3 . 10147 1 341 . 1 1 34 34 ARG N N 15 122.768 0.300 . 1 . . . . 34 ARG N . 10147 1 342 . 1 1 34 34 ARG H H 1 8.410 0.030 . 1 . . . . 34 ARG H . 10147 1 343 . 1 1 34 34 ARG HA H 1 4.336 0.030 . 1 . . . . 34 ARG HA . 10147 1 344 . 1 1 34 34 ARG CB C 13 31.894 0.300 . 1 . . . . 34 ARG CB . 10147 1 345 . 1 1 34 34 ARG HB2 H 1 1.891 0.030 . 2 . . . . 34 ARG HB2 . 10147 1 346 . 1 1 34 34 ARG CG C 13 27.436 0.300 . 1 . . . . 34 ARG CG . 10147 1 347 . 1 1 34 34 ARG HG2 H 1 1.545 0.030 . 2 . . . . 34 ARG HG2 . 10147 1 348 . 1 1 34 34 ARG HD2 H 1 3.184 0.030 . 2 . . . . 34 ARG HD2 . 10147 1 349 . 1 1 35 35 ASN CA C 13 53.153 0.300 . 1 . . . . 35 ASN CA . 10147 1 350 . 1 1 35 35 ASN HA H 1 4.771 0.030 . 1 . . . . 35 ASN HA . 10147 1 351 . 1 1 35 35 ASN CB C 13 39.425 0.300 . 1 . . . . 35 ASN CB . 10147 1 352 . 1 1 35 35 ASN HB2 H 1 2.784 0.030 . 1 . . . . 35 ASN HB2 . 10147 1 353 . 1 1 35 35 ASN HB3 H 1 2.784 0.030 . 1 . . . . 35 ASN HB3 . 10147 1 354 . 1 1 35 35 ASN ND2 N 15 112.585 0.300 . 1 . . . . 35 ASN ND2 . 10147 1 355 . 1 1 35 35 ASN HD21 H 1 7.762 0.030 . 2 . . . . 35 ASN HD21 . 10147 1 356 . 1 1 35 35 ASN HD22 H 1 7.057 0.030 . 2 . . . . 35 ASN HD22 . 10147 1 357 . 1 1 36 36 LEU N N 15 110.943 0.300 . 1 . . . . 36 LEU N . 10147 1 358 . 1 1 36 36 LEU H H 1 8.305 0.030 . 1 . . . . 36 LEU H . 10147 1 359 . 1 1 36 36 LEU CA C 13 60.191 0.300 . 1 . . . . 36 LEU CA . 10147 1 360 . 1 1 36 36 LEU HA H 1 4.140 0.030 . 1 . . . . 36 LEU HA . 10147 1 361 . 1 1 36 36 LEU CB C 13 41.876 0.300 . 1 . . . . 36 LEU CB . 10147 1 362 . 1 1 36 36 LEU HB2 H 1 1.446 0.030 . 2 . . . . 36 LEU HB2 . 10147 1 363 . 1 1 36 36 LEU HB3 H 1 1.768 0.030 . 2 . . . . 36 LEU HB3 . 10147 1 364 . 1 1 36 36 LEU CG C 13 27.041 0.300 . 1 . . . . 36 LEU CG . 10147 1 365 . 1 1 36 36 LEU HG H 1 1.635 0.030 . 1 . . . . 36 LEU HG . 10147 1 366 . 1 1 36 36 LEU CD1 C 13 25.702 0.300 . 2 . . . . 36 LEU CD1 . 10147 1 367 . 1 1 36 36 LEU HD11 H 1 0.676 0.030 . 1 . . . . 36 LEU HD1 . 10147 1 368 . 1 1 36 36 LEU HD12 H 1 0.676 0.030 . 1 . . . . 36 LEU HD1 . 10147 1 369 . 1 1 36 36 LEU HD13 H 1 0.676 0.030 . 1 . . . . 36 LEU HD1 . 10147 1 370 . 1 1 36 36 LEU CD2 C 13 24.773 0.300 . 2 . . . . 36 LEU CD2 . 10147 1 371 . 1 1 36 36 LEU HD21 H 1 0.669 0.030 . 1 . . . . 36 LEU HD2 . 10147 1 372 . 1 1 36 36 LEU HD22 H 1 0.669 0.030 . 1 . . . . 36 LEU HD2 . 10147 1 373 . 1 1 36 36 LEU HD23 H 1 0.669 0.030 . 1 . . . . 36 LEU HD2 . 10147 1 374 . 1 1 37 37 SER CA C 13 61.673 0.300 . 1 . . . . 37 SER CA . 10147 1 375 . 1 1 37 37 SER HA H 1 4.080 0.030 . 1 . . . . 37 SER HA . 10147 1 376 . 1 1 37 37 SER CB C 13 62.700 0.300 . 1 . . . . 37 SER CB . 10147 1 377 . 1 1 37 37 SER HB2 H 1 3.771 0.030 . 2 . . . . 37 SER HB2 . 10147 1 378 . 1 1 37 37 SER HB3 H 1 3.894 0.030 . 2 . . . . 37 SER HB3 . 10147 1 379 . 1 1 38 38 ARG N N 15 119.288 0.300 . 1 . . . . 38 ARG N . 10147 1 380 . 1 1 38 38 ARG H H 1 7.773 0.030 . 1 . . . . 38 ARG H . 10147 1 381 . 1 1 38 38 ARG HA H 1 4.587 0.030 . 1 . . . . 38 ARG HA . 10147 1 382 . 1 1 38 38 ARG HB2 H 1 1.787 0.030 . 2 . . . . 38 ARG HB2 . 10147 1 383 . 1 1 38 38 ARG HB3 H 1 1.915 0.030 . 2 . . . . 38 ARG HB3 . 10147 1 384 . 1 1 39 39 ASP N N 15 121.607 0.300 . 1 . . . . 39 ASP N . 10147 1 385 . 1 1 39 39 ASP H H 1 9.487 0.030 . 1 . . . . 39 ASP H . 10147 1 386 . 1 1 39 39 ASP CA C 13 58.026 0.300 . 1 . . . . 39 ASP CA . 10147 1 387 . 1 1 39 39 ASP HA H 1 4.518 0.030 . 1 . . . . 39 ASP HA . 10147 1 388 . 1 1 39 39 ASP CB C 13 40.039 0.300 . 1 . . . . 39 ASP CB . 10147 1 389 . 1 1 39 39 ASP HB2 H 1 2.637 0.030 . 1 . . . . 39 ASP HB2 . 10147 1 390 . 1 1 39 39 ASP HB3 H 1 2.637 0.030 . 1 . . . . 39 ASP HB3 . 10147 1 391 . 1 1 40 40 PHE N N 15 115.310 0.300 . 1 . . . . 40 PHE N . 10147 1 392 . 1 1 40 40 PHE H H 1 8.300 0.030 . 1 . . . . 40 PHE H . 10147 1 393 . 1 1 40 40 PHE CA C 13 59.420 0.300 . 1 . . . . 40 PHE CA . 10147 1 394 . 1 1 40 40 PHE HA H 1 4.605 0.030 . 1 . . . . 40 PHE HA . 10147 1 395 . 1 1 40 40 PHE CB C 13 39.030 0.300 . 1 . . . . 40 PHE CB . 10147 1 396 . 1 1 40 40 PHE HB2 H 1 3.421 0.030 . 2 . . . . 40 PHE HB2 . 10147 1 397 . 1 1 40 40 PHE HB3 H 1 3.372 0.030 . 2 . . . . 40 PHE HB3 . 10147 1 398 . 1 1 40 40 PHE CD1 C 13 131.808 0.300 . 1 . . . . 40 PHE CD1 . 10147 1 399 . 1 1 40 40 PHE HD1 H 1 7.428 0.030 . 1 . . . . 40 PHE HD1 . 10147 1 400 . 1 1 40 40 PHE CD2 C 13 131.808 0.300 . 1 . . . . 40 PHE CD2 . 10147 1 401 . 1 1 40 40 PHE HD2 H 1 7.428 0.030 . 1 . . . . 40 PHE HD2 . 10147 1 402 . 1 1 40 40 PHE CE1 C 13 131.115 0.300 . 1 . . . . 40 PHE CE1 . 10147 1 403 . 1 1 40 40 PHE HE1 H 1 7.071 0.030 . 1 . . . . 40 PHE HE1 . 10147 1 404 . 1 1 40 40 PHE CE2 C 13 131.115 0.300 . 1 . . . . 40 PHE CE2 . 10147 1 405 . 1 1 40 40 PHE HE2 H 1 7.071 0.030 . 1 . . . . 40 PHE HE2 . 10147 1 406 . 1 1 40 40 PHE CZ C 13 128.968 0.300 . 1 . . . . 40 PHE CZ . 10147 1 407 . 1 1 40 40 PHE HZ H 1 6.852 0.030 . 1 . . . . 40 PHE HZ . 10147 1 408 . 1 1 41 41 SER N N 15 115.417 0.300 . 1 . . . . 41 SER N . 10147 1 409 . 1 1 41 41 SER H H 1 7.441 0.030 . 1 . . . . 41 SER H . 10147 1 410 . 1 1 41 41 SER CA C 13 62.290 0.300 . 1 . . . . 41 SER CA . 10147 1 411 . 1 1 41 41 SER HA H 1 4.341 0.030 . 1 . . . . 41 SER HA . 10147 1 412 . 1 1 41 41 SER CB C 13 64.510 0.300 . 1 . . . . 41 SER CB . 10147 1 413 . 1 1 41 41 SER HB2 H 1 4.510 0.030 . 2 . . . . 41 SER HB2 . 10147 1 414 . 1 1 41 41 SER HB3 H 1 4.595 0.030 . 2 . . . . 41 SER HB3 . 10147 1 415 . 1 1 42 42 ASP N N 15 117.563 0.300 . 1 . . . . 42 ASP N . 10147 1 416 . 1 1 42 42 ASP H H 1 8.726 0.030 . 1 . . . . 42 ASP H . 10147 1 417 . 1 1 42 42 ASP CA C 13 53.746 0.300 . 1 . . . . 42 ASP CA . 10147 1 418 . 1 1 42 42 ASP HA H 1 4.780 0.030 . 1 . . . . 42 ASP HA . 10147 1 419 . 1 1 42 42 ASP CB C 13 42.695 0.300 . 1 . . . . 42 ASP CB . 10147 1 420 . 1 1 42 42 ASP HB2 H 1 3.275 0.030 . 2 . . . . 42 ASP HB2 . 10147 1 421 . 1 1 42 42 ASP HB3 H 1 2.894 0.030 . 2 . . . . 42 ASP HB3 . 10147 1 422 . 1 1 42 42 ASP C C 13 176.013 0.300 . 1 . . . . 42 ASP C . 10147 1 423 . 1 1 43 43 GLY N N 15 106.643 0.300 . 1 . . . . 43 GLY N . 10147 1 424 . 1 1 43 43 GLY H H 1 7.388 0.030 . 1 . . . . 43 GLY H . 10147 1 425 . 1 1 43 43 GLY CA C 13 45.230 0.300 . 1 . . . . 43 GLY CA . 10147 1 426 . 1 1 43 43 GLY HA2 H 1 3.131 0.030 . 2 . . . . 43 GLY HA2 . 10147 1 427 . 1 1 43 43 GLY HA3 H 1 2.588 0.030 . 2 . . . . 43 GLY HA3 . 10147 1 428 . 1 1 43 43 GLY C C 13 173.476 0.300 . 1 . . . . 43 GLY C . 10147 1 429 . 1 1 44 44 VAL N N 15 121.300 0.300 . 1 . . . . 44 VAL N . 10147 1 430 . 1 1 44 44 VAL H H 1 7.874 0.030 . 1 . . . . 44 VAL H . 10147 1 431 . 1 1 44 44 VAL CA C 13 67.198 0.300 . 1 . . . . 44 VAL CA . 10147 1 432 . 1 1 44 44 VAL HA H 1 3.018 0.030 . 1 . . . . 44 VAL HA . 10147 1 433 . 1 1 44 44 VAL CB C 13 31.139 0.300 . 1 . . . . 44 VAL CB . 10147 1 434 . 1 1 44 44 VAL HB H 1 1.976 0.030 . 1 . . . . 44 VAL HB . 10147 1 435 . 1 1 44 44 VAL CG1 C 13 21.146 0.300 . 2 . . . . 44 VAL CG1 . 10147 1 436 . 1 1 44 44 VAL HG11 H 1 0.775 0.030 . 1 . . . . 44 VAL HG1 . 10147 1 437 . 1 1 44 44 VAL HG12 H 1 0.775 0.030 . 1 . . . . 44 VAL HG1 . 10147 1 438 . 1 1 44 44 VAL HG13 H 1 0.775 0.030 . 1 . . . . 44 VAL HG1 . 10147 1 439 . 1 1 44 44 VAL CG2 C 13 23.131 0.300 . 2 . . . . 44 VAL CG2 . 10147 1 440 . 1 1 44 44 VAL HG21 H 1 0.519 0.030 . 1 . . . . 44 VAL HG2 . 10147 1 441 . 1 1 44 44 VAL HG22 H 1 0.519 0.030 . 1 . . . . 44 VAL HG2 . 10147 1 442 . 1 1 44 44 VAL HG23 H 1 0.519 0.030 . 1 . . . . 44 VAL HG2 . 10147 1 443 . 1 1 44 44 VAL C C 13 177.853 0.300 . 1 . . . . 44 VAL C . 10147 1 444 . 1 1 45 45 LEU N N 15 114.495 0.300 . 1 . . . . 45 LEU N . 10147 1 445 . 1 1 45 45 LEU H H 1 8.945 0.030 . 1 . . . . 45 LEU H . 10147 1 446 . 1 1 45 45 LEU CA C 13 57.466 0.300 . 1 . . . . 45 LEU CA . 10147 1 447 . 1 1 45 45 LEU HA H 1 3.838 0.030 . 1 . . . . 45 LEU HA . 10147 1 448 . 1 1 45 45 LEU CB C 13 40.503 0.300 . 1 . . . . 45 LEU CB . 10147 1 449 . 1 1 45 45 LEU HB2 H 1 0.730 0.030 . 2 . . . . 45 LEU HB2 . 10147 1 450 . 1 1 45 45 LEU HB3 H 1 0.784 0.030 . 2 . . . . 45 LEU HB3 . 10147 1 451 . 1 1 45 45 LEU CG C 13 26.741 0.300 . 1 . . . . 45 LEU CG . 10147 1 452 . 1 1 45 45 LEU HG H 1 1.440 0.030 . 1 . . . . 45 LEU HG . 10147 1 453 . 1 1 45 45 LEU CD1 C 13 22.616 0.300 . 2 . . . . 45 LEU CD1 . 10147 1 454 . 1 1 45 45 LEU HD11 H 1 0.525 0.030 . 1 . . . . 45 LEU HD1 . 10147 1 455 . 1 1 45 45 LEU HD12 H 1 0.525 0.030 . 1 . . . . 45 LEU HD1 . 10147 1 456 . 1 1 45 45 LEU HD13 H 1 0.525 0.030 . 1 . . . . 45 LEU HD1 . 10147 1 457 . 1 1 45 45 LEU CD2 C 13 25.835 0.300 . 2 . . . . 45 LEU CD2 . 10147 1 458 . 1 1 45 45 LEU HD21 H 1 0.236 0.030 . 1 . . . . 45 LEU HD2 . 10147 1 459 . 1 1 45 45 LEU HD22 H 1 0.236 0.030 . 1 . . . . 45 LEU HD2 . 10147 1 460 . 1 1 45 45 LEU HD23 H 1 0.236 0.030 . 1 . . . . 45 LEU HD2 . 10147 1 461 . 1 1 45 45 LEU C C 13 179.257 0.300 . 1 . . . . 45 LEU C . 10147 1 462 . 1 1 46 46 VAL N N 15 118.354 0.300 . 1 . . . . 46 VAL N . 10147 1 463 . 1 1 46 46 VAL H H 1 7.422 0.030 . 1 . . . . 46 VAL H . 10147 1 464 . 1 1 46 46 VAL CA C 13 67.288 0.300 . 1 . . . . 46 VAL CA . 10147 1 465 . 1 1 46 46 VAL HA H 1 3.469 0.030 . 1 . . . . 46 VAL HA . 10147 1 466 . 1 1 46 46 VAL CB C 13 30.173 0.300 . 1 . . . . 46 VAL CB . 10147 1 467 . 1 1 46 46 VAL HB H 1 1.739 0.030 . 1 . . . . 46 VAL HB . 10147 1 468 . 1 1 46 46 VAL CG1 C 13 21.904 0.300 . 2 . . . . 46 VAL CG1 . 10147 1 469 . 1 1 46 46 VAL HG11 H 1 0.717 0.030 . 1 . . . . 46 VAL HG1 . 10147 1 470 . 1 1 46 46 VAL HG12 H 1 0.717 0.030 . 1 . . . . 46 VAL HG1 . 10147 1 471 . 1 1 46 46 VAL HG13 H 1 0.717 0.030 . 1 . . . . 46 VAL HG1 . 10147 1 472 . 1 1 46 46 VAL CG2 C 13 24.709 0.300 . 2 . . . . 46 VAL CG2 . 10147 1 473 . 1 1 46 46 VAL HG21 H 1 1.279 0.030 . 1 . . . . 46 VAL HG2 . 10147 1 474 . 1 1 46 46 VAL HG22 H 1 1.279 0.030 . 1 . . . . 46 VAL HG2 . 10147 1 475 . 1 1 46 46 VAL HG23 H 1 1.279 0.030 . 1 . . . . 46 VAL HG2 . 10147 1 476 . 1 1 46 46 VAL C C 13 176.954 0.300 . 1 . . . . 46 VAL C . 10147 1 477 . 1 1 47 47 ALA N N 15 121.963 0.300 . 1 . . . . 47 ALA N . 10147 1 478 . 1 1 47 47 ALA H H 1 7.272 0.030 . 1 . . . . 47 ALA H . 10147 1 479 . 1 1 47 47 ALA CA C 13 55.991 0.300 . 1 . . . . 47 ALA CA . 10147 1 480 . 1 1 47 47 ALA HA H 1 3.576 0.030 . 1 . . . . 47 ALA HA . 10147 1 481 . 1 1 47 47 ALA CB C 13 17.292 0.300 . 1 . . . . 47 ALA CB . 10147 1 482 . 1 1 47 47 ALA HB1 H 1 0.921 0.030 . 1 . . . . 47 ALA HB . 10147 1 483 . 1 1 47 47 ALA HB2 H 1 0.921 0.030 . 1 . . . . 47 ALA HB . 10147 1 484 . 1 1 47 47 ALA HB3 H 1 0.921 0.030 . 1 . . . . 47 ALA HB . 10147 1 485 . 1 1 47 47 ALA C C 13 178.880 0.300 . 1 . . . . 47 ALA C . 10147 1 486 . 1 1 48 48 GLU N N 15 116.763 0.300 . 1 . . . . 48 GLU N . 10147 1 487 . 1 1 48 48 GLU H H 1 8.081 0.030 . 1 . . . . 48 GLU H . 10147 1 488 . 1 1 48 48 GLU CA C 13 60.605 0.300 . 1 . . . . 48 GLU CA . 10147 1 489 . 1 1 48 48 GLU HA H 1 3.851 0.030 . 1 . . . . 48 GLU HA . 10147 1 490 . 1 1 48 48 GLU CB C 13 30.467 0.300 . 1 . . . . 48 GLU CB . 10147 1 491 . 1 1 48 48 GLU HB2 H 1 2.042 0.030 . 2 . . . . 48 GLU HB2 . 10147 1 492 . 1 1 48 48 GLU HB3 H 1 2.128 0.030 . 2 . . . . 48 GLU HB3 . 10147 1 493 . 1 1 48 48 GLU CG C 13 37.271 0.300 . 1 . . . . 48 GLU CG . 10147 1 494 . 1 1 48 48 GLU HG2 H 1 2.575 0.030 . 2 . . . . 48 GLU HG2 . 10147 1 495 . 1 1 48 48 GLU HG3 H 1 2.126 0.030 . 2 . . . . 48 GLU HG3 . 10147 1 496 . 1 1 48 48 GLU C C 13 180.175 0.300 . 1 . . . . 48 GLU C . 10147 1 497 . 1 1 49 49 VAL N N 15 122.024 0.300 . 1 . . . . 49 VAL N . 10147 1 498 . 1 1 49 49 VAL H H 1 8.325 0.030 . 1 . . . . 49 VAL H . 10147 1 499 . 1 1 49 49 VAL CA C 13 67.146 0.300 . 1 . . . . 49 VAL CA . 10147 1 500 . 1 1 49 49 VAL HA H 1 3.530 0.030 . 1 . . . . 49 VAL HA . 10147 1 501 . 1 1 49 49 VAL CB C 13 31.543 0.300 . 1 . . . . 49 VAL CB . 10147 1 502 . 1 1 49 49 VAL HB H 1 2.463 0.030 . 1 . . . . 49 VAL HB . 10147 1 503 . 1 1 49 49 VAL CG1 C 13 22.327 0.300 . 2 . . . . 49 VAL CG1 . 10147 1 504 . 1 1 49 49 VAL HG11 H 1 0.980 0.030 . 1 . . . . 49 VAL HG1 . 10147 1 505 . 1 1 49 49 VAL HG12 H 1 0.980 0.030 . 1 . . . . 49 VAL HG1 . 10147 1 506 . 1 1 49 49 VAL HG13 H 1 0.980 0.030 . 1 . . . . 49 VAL HG1 . 10147 1 507 . 1 1 49 49 VAL CG2 C 13 23.421 0.300 . 2 . . . . 49 VAL CG2 . 10147 1 508 . 1 1 49 49 VAL HG21 H 1 1.081 0.030 . 1 . . . . 49 VAL HG2 . 10147 1 509 . 1 1 49 49 VAL HG22 H 1 1.081 0.030 . 1 . . . . 49 VAL HG2 . 10147 1 510 . 1 1 49 49 VAL HG23 H 1 1.081 0.030 . 1 . . . . 49 VAL HG2 . 10147 1 511 . 1 1 49 49 VAL C C 13 177.168 0.300 . 1 . . . . 49 VAL C . 10147 1 512 . 1 1 50 50 ILE N N 15 117.821 0.300 . 1 . . . . 50 ILE N . 10147 1 513 . 1 1 50 50 ILE H H 1 7.947 0.030 . 1 . . . . 50 ILE H . 10147 1 514 . 1 1 50 50 ILE CA C 13 66.217 0.300 . 1 . . . . 50 ILE CA . 10147 1 515 . 1 1 50 50 ILE HA H 1 3.757 0.030 . 1 . . . . 50 ILE HA . 10147 1 516 . 1 1 50 50 ILE CB C 13 37.952 0.300 . 1 . . . . 50 ILE CB . 10147 1 517 . 1 1 50 50 ILE HB H 1 1.814 0.030 . 1 . . . . 50 ILE HB . 10147 1 518 . 1 1 50 50 ILE CG1 C 13 29.700 0.300 . 1 . . . . 50 ILE CG1 . 10147 1 519 . 1 1 50 50 ILE HG12 H 1 2.043 0.030 . 2 . . . . 50 ILE HG12 . 10147 1 520 . 1 1 50 50 ILE HG13 H 1 0.942 0.030 . 2 . . . . 50 ILE HG13 . 10147 1 521 . 1 1 50 50 ILE CG2 C 13 18.106 0.300 . 1 . . . . 50 ILE CG2 . 10147 1 522 . 1 1 50 50 ILE HG21 H 1 0.925 0.030 . 1 . . . . 50 ILE HG2 . 10147 1 523 . 1 1 50 50 ILE HG22 H 1 0.925 0.030 . 1 . . . . 50 ILE HG2 . 10147 1 524 . 1 1 50 50 ILE HG23 H 1 0.925 0.030 . 1 . . . . 50 ILE HG2 . 10147 1 525 . 1 1 50 50 ILE CD1 C 13 15.563 0.300 . 1 . . . . 50 ILE CD1 . 10147 1 526 . 1 1 50 50 ILE HD11 H 1 0.716 0.030 . 1 . . . . 50 ILE HD1 . 10147 1 527 . 1 1 50 50 ILE HD12 H 1 0.716 0.030 . 1 . . . . 50 ILE HD1 . 10147 1 528 . 1 1 50 50 ILE HD13 H 1 0.716 0.030 . 1 . . . . 50 ILE HD1 . 10147 1 529 . 1 1 50 50 ILE C C 13 177.890 0.300 . 1 . . . . 50 ILE C . 10147 1 530 . 1 1 51 51 LYS N N 15 121.589 0.300 . 1 . . . . 51 LYS N . 10147 1 531 . 1 1 51 51 LYS H H 1 8.790 0.030 . 1 . . . . 51 LYS H . 10147 1 532 . 1 1 51 51 LYS CA C 13 58.277 0.300 . 1 . . . . 51 LYS CA . 10147 1 533 . 1 1 51 51 LYS HA H 1 3.816 0.030 . 1 . . . . 51 LYS HA . 10147 1 534 . 1 1 51 51 LYS CB C 13 32.898 0.300 . 1 . . . . 51 LYS CB . 10147 1 535 . 1 1 51 51 LYS HB2 H 1 2.072 0.030 . 2 . . . . 51 LYS HB2 . 10147 1 536 . 1 1 51 51 LYS HB3 H 1 1.778 0.030 . 2 . . . . 51 LYS HB3 . 10147 1 537 . 1 1 51 51 LYS CG C 13 25.561 0.300 . 1 . . . . 51 LYS CG . 10147 1 538 . 1 1 51 51 LYS HG2 H 1 1.601 0.030 . 1 . . . . 51 LYS HG2 . 10147 1 539 . 1 1 51 51 LYS HG3 H 1 1.601 0.030 . 1 . . . . 51 LYS HG3 . 10147 1 540 . 1 1 51 51 LYS CD C 13 30.231 0.300 . 1 . . . . 51 LYS CD . 10147 1 541 . 1 1 51 51 LYS HD2 H 1 1.635 0.030 . 2 . . . . 51 LYS HD2 . 10147 1 542 . 1 1 51 51 LYS HD3 H 1 1.671 0.030 . 2 . . . . 51 LYS HD3 . 10147 1 543 . 1 1 51 51 LYS CE C 13 42.525 0.300 . 1 . . . . 51 LYS CE . 10147 1 544 . 1 1 51 51 LYS HE2 H 1 3.177 0.030 . 2 . . . . 51 LYS HE2 . 10147 1 545 . 1 1 51 51 LYS HE3 H 1 3.027 0.030 . 2 . . . . 51 LYS HE3 . 10147 1 546 . 1 1 51 51 LYS C C 13 176.668 0.300 . 1 . . . . 51 LYS C . 10147 1 547 . 1 1 52 52 PHE N N 15 117.622 0.300 . 1 . . . . 52 PHE N . 10147 1 548 . 1 1 52 52 PHE H H 1 7.768 0.030 . 1 . . . . 52 PHE H . 10147 1 549 . 1 1 52 52 PHE CA C 13 60.585 0.300 . 1 . . . . 52 PHE CA . 10147 1 550 . 1 1 52 52 PHE HA H 1 4.090 0.030 . 1 . . . . 52 PHE HA . 10147 1 551 . 1 1 52 52 PHE CB C 13 38.775 0.300 . 1 . . . . 52 PHE CB . 10147 1 552 . 1 1 52 52 PHE HB2 H 1 3.174 0.030 . 2 . . . . 52 PHE HB2 . 10147 1 553 . 1 1 52 52 PHE HB3 H 1 3.301 0.030 . 2 . . . . 52 PHE HB3 . 10147 1 554 . 1 1 52 52 PHE CD1 C 13 131.931 0.300 . 1 . . . . 52 PHE CD1 . 10147 1 555 . 1 1 52 52 PHE HD1 H 1 6.816 0.030 . 1 . . . . 52 PHE HD1 . 10147 1 556 . 1 1 52 52 PHE CD2 C 13 131.931 0.300 . 1 . . . . 52 PHE CD2 . 10147 1 557 . 1 1 52 52 PHE HD2 H 1 6.816 0.030 . 1 . . . . 52 PHE HD2 . 10147 1 558 . 1 1 52 52 PHE CE1 C 13 131.039 0.300 . 1 . . . . 52 PHE CE1 . 10147 1 559 . 1 1 52 52 PHE HE1 H 1 7.071 0.030 . 1 . . . . 52 PHE HE1 . 10147 1 560 . 1 1 52 52 PHE CE2 C 13 131.039 0.300 . 1 . . . . 52 PHE CE2 . 10147 1 561 . 1 1 52 52 PHE HE2 H 1 7.071 0.030 . 1 . . . . 52 PHE HE2 . 10147 1 562 . 1 1 52 52 PHE CZ C 13 129.639 0.300 . 1 . . . . 52 PHE CZ . 10147 1 563 . 1 1 52 52 PHE HZ H 1 7.150 0.030 . 1 . . . . 52 PHE HZ . 10147 1 564 . 1 1 52 52 PHE C C 13 176.831 0.300 . 1 . . . . 52 PHE C . 10147 1 565 . 1 1 53 53 TYR N N 15 115.876 0.300 . 1 . . . . 53 TYR N . 10147 1 566 . 1 1 53 53 TYR H H 1 7.346 0.030 . 1 . . . . 53 TYR H . 10147 1 567 . 1 1 53 53 TYR CA C 13 61.264 0.300 . 1 . . . . 53 TYR CA . 10147 1 568 . 1 1 53 53 TYR HA H 1 3.697 0.030 . 1 . . . . 53 TYR HA . 10147 1 569 . 1 1 53 53 TYR CB C 13 41.522 0.300 . 1 . . . . 53 TYR CB . 10147 1 570 . 1 1 53 53 TYR HB2 H 1 2.832 0.030 . 2 . . . . 53 TYR HB2 . 10147 1 571 . 1 1 53 53 TYR HB3 H 1 2.079 0.030 . 2 . . . . 53 TYR HB3 . 10147 1 572 . 1 1 53 53 TYR CD1 C 13 134.027 0.300 . 1 . . . . 53 TYR CD1 . 10147 1 573 . 1 1 53 53 TYR HD1 H 1 7.346 0.030 . 1 . . . . 53 TYR HD1 . 10147 1 574 . 1 1 53 53 TYR CD2 C 13 134.027 0.300 . 1 . . . . 53 TYR CD2 . 10147 1 575 . 1 1 53 53 TYR HD2 H 1 7.346 0.030 . 1 . . . . 53 TYR HD2 . 10147 1 576 . 1 1 53 53 TYR CE1 C 13 117.898 0.300 . 1 . . . . 53 TYR CE1 . 10147 1 577 . 1 1 53 53 TYR HE1 H 1 6.925 0.030 . 1 . . . . 53 TYR HE1 . 10147 1 578 . 1 1 53 53 TYR CE2 C 13 117.898 0.300 . 1 . . . . 53 TYR CE2 . 10147 1 579 . 1 1 53 53 TYR HE2 H 1 6.925 0.030 . 1 . . . . 53 TYR HE2 . 10147 1 580 . 1 1 53 53 TYR C C 13 175.972 0.300 . 1 . . . . 53 TYR C . 10147 1 581 . 1 1 54 54 PHE N N 15 116.478 0.300 . 1 . . . . 54 PHE N . 10147 1 582 . 1 1 54 54 PHE H H 1 8.877 0.030 . 1 . . . . 54 PHE H . 10147 1 583 . 1 1 54 54 PHE CA C 13 55.553 0.300 . 1 . . . . 54 PHE CA . 10147 1 584 . 1 1 54 54 PHE HA H 1 5.173 0.030 . 1 . . . . 54 PHE HA . 10147 1 585 . 1 1 54 54 PHE CB C 13 40.841 0.300 . 1 . . . . 54 PHE CB . 10147 1 586 . 1 1 54 54 PHE HB2 H 1 2.849 0.030 . 2 . . . . 54 PHE HB2 . 10147 1 587 . 1 1 54 54 PHE HB3 H 1 3.228 0.030 . 2 . . . . 54 PHE HB3 . 10147 1 588 . 1 1 54 54 PHE CD1 C 13 133.214 0.300 . 1 . . . . 54 PHE CD1 . 10147 1 589 . 1 1 54 54 PHE HD1 H 1 7.351 0.030 . 1 . . . . 54 PHE HD1 . 10147 1 590 . 1 1 54 54 PHE CD2 C 13 133.214 0.300 . 1 . . . . 54 PHE CD2 . 10147 1 591 . 1 1 54 54 PHE HD2 H 1 7.351 0.030 . 1 . . . . 54 PHE HD2 . 10147 1 592 . 1 1 54 54 PHE CE1 C 13 130.374 0.300 . 1 . . . . 54 PHE CE1 . 10147 1 593 . 1 1 54 54 PHE HE1 H 1 7.347 0.030 . 1 . . . . 54 PHE HE1 . 10147 1 594 . 1 1 54 54 PHE CE2 C 13 130.374 0.300 . 1 . . . . 54 PHE CE2 . 10147 1 595 . 1 1 54 54 PHE HE2 H 1 7.347 0.030 . 1 . . . . 54 PHE HE2 . 10147 1 596 . 1 1 54 54 PHE CZ C 13 128.965 0.300 . 1 . . . . 54 PHE CZ . 10147 1 597 . 1 1 54 54 PHE HZ H 1 7.188 0.030 . 1 . . . . 54 PHE HZ . 10147 1 598 . 1 1 54 54 PHE C C 13 173.424 0.300 . 1 . . . . 54 PHE C . 10147 1 599 . 1 1 55 55 PRO CA C 13 65.147 0.300 . 1 . . . . 55 PRO CA . 10147 1 600 . 1 1 55 55 PRO HA H 1 4.591 0.030 . 1 . . . . 55 PRO HA . 10147 1 601 . 1 1 55 55 PRO CB C 13 32.014 0.300 . 1 . . . . 55 PRO CB . 10147 1 602 . 1 1 55 55 PRO HB2 H 1 2.451 0.030 . 2 . . . . 55 PRO HB2 . 10147 1 603 . 1 1 55 55 PRO HB3 H 1 2.001 0.030 . 2 . . . . 55 PRO HB3 . 10147 1 604 . 1 1 55 55 PRO CG C 13 27.230 0.300 . 1 . . . . 55 PRO CG . 10147 1 605 . 1 1 55 55 PRO HG2 H 1 2.100 0.030 . 2 . . . . 55 PRO HG2 . 10147 1 606 . 1 1 55 55 PRO HG3 H 1 2.013 0.030 . 2 . . . . 55 PRO HG3 . 10147 1 607 . 1 1 55 55 PRO CD C 13 50.099 0.300 . 1 . . . . 55 PRO CD . 10147 1 608 . 1 1 55 55 PRO HD2 H 1 3.321 0.030 . 2 . . . . 55 PRO HD2 . 10147 1 609 . 1 1 55 55 PRO HD3 H 1 3.817 0.030 . 2 . . . . 55 PRO HD3 . 10147 1 610 . 1 1 55 55 PRO C C 13 179.255 0.300 . 1 . . . . 55 PRO C . 10147 1 611 . 1 1 56 56 LYS N N 15 113.672 0.300 . 1 . . . . 56 LYS N . 10147 1 612 . 1 1 56 56 LYS H H 1 8.639 0.030 . 1 . . . . 56 LYS H . 10147 1 613 . 1 1 56 56 LYS CA C 13 56.918 0.300 . 1 . . . . 56 LYS CA . 10147 1 614 . 1 1 56 56 LYS HA H 1 4.384 0.030 . 1 . . . . 56 LYS HA . 10147 1 615 . 1 1 56 56 LYS CB C 13 31.868 0.300 . 1 . . . . 56 LYS CB . 10147 1 616 . 1 1 56 56 LYS HB2 H 1 1.924 0.030 . 2 . . . . 56 LYS HB2 . 10147 1 617 . 1 1 56 56 LYS HB3 H 1 1.999 0.030 . 2 . . . . 56 LYS HB3 . 10147 1 618 . 1 1 56 56 LYS CG C 13 25.617 0.300 . 1 . . . . 56 LYS CG . 10147 1 619 . 1 1 56 56 LYS HG2 H 1 1.500 0.030 . 2 . . . . 56 LYS HG2 . 10147 1 620 . 1 1 56 56 LYS HG3 H 1 1.603 0.030 . 2 . . . . 56 LYS HG3 . 10147 1 621 . 1 1 56 56 LYS CD C 13 28.942 0.300 . 1 . . . . 56 LYS CD . 10147 1 622 . 1 1 56 56 LYS HD2 H 1 1.736 0.030 . 1 . . . . 56 LYS HD2 . 10147 1 623 . 1 1 56 56 LYS HD3 H 1 1.736 0.030 . 1 . . . . 56 LYS HD3 . 10147 1 624 . 1 1 56 56 LYS CE C 13 42.167 0.300 . 1 . . . . 56 LYS CE . 10147 1 625 . 1 1 56 56 LYS HE2 H 1 3.026 0.030 . 1 . . . . 56 LYS HE2 . 10147 1 626 . 1 1 56 56 LYS HE3 H 1 3.026 0.030 . 1 . . . . 56 LYS HE3 . 10147 1 627 . 1 1 56 56 LYS C C 13 178.220 0.300 . 1 . . . . 56 LYS C . 10147 1 628 . 1 1 57 57 MET N N 15 116.692 0.300 . 1 . . . . 57 MET N . 10147 1 629 . 1 1 57 57 MET H H 1 8.099 0.030 . 1 . . . . 57 MET H . 10147 1 630 . 1 1 57 57 MET CA C 13 57.537 0.300 . 1 . . . . 57 MET CA . 10147 1 631 . 1 1 57 57 MET HA H 1 4.260 0.030 . 1 . . . . 57 MET HA . 10147 1 632 . 1 1 57 57 MET CB C 13 35.400 0.300 . 1 . . . . 57 MET CB . 10147 1 633 . 1 1 57 57 MET HB2 H 1 2.179 0.030 . 2 . . . . 57 MET HB2 . 10147 1 634 . 1 1 57 57 MET HB3 H 1 2.272 0.030 . 2 . . . . 57 MET HB3 . 10147 1 635 . 1 1 57 57 MET CG C 13 33.786 0.300 . 1 . . . . 57 MET CG . 10147 1 636 . 1 1 57 57 MET HG2 H 1 2.568 0.030 . 2 . . . . 57 MET HG2 . 10147 1 637 . 1 1 57 57 MET HG3 H 1 2.608 0.030 . 2 . . . . 57 MET HG3 . 10147 1 638 . 1 1 57 57 MET CE C 13 17.133 0.300 . 1 . . . . 57 MET CE . 10147 1 639 . 1 1 57 57 MET HE1 H 1 1.732 0.030 . 1 . . . . 57 MET HE . 10147 1 640 . 1 1 57 57 MET HE2 H 1 1.732 0.030 . 1 . . . . 57 MET HE . 10147 1 641 . 1 1 57 57 MET HE3 H 1 1.732 0.030 . 1 . . . . 57 MET HE . 10147 1 642 . 1 1 57 57 MET C C 13 174.856 0.300 . 1 . . . . 57 MET C . 10147 1 643 . 1 1 58 58 VAL N N 15 114.727 0.300 . 1 . . . . 58 VAL N . 10147 1 644 . 1 1 58 58 VAL H H 1 6.872 0.030 . 1 . . . . 58 VAL H . 10147 1 645 . 1 1 58 58 VAL CA C 13 60.834 0.300 . 1 . . . . 58 VAL CA . 10147 1 646 . 1 1 58 58 VAL HA H 1 4.421 0.030 . 1 . . . . 58 VAL HA . 10147 1 647 . 1 1 58 58 VAL CB C 13 36.223 0.300 . 1 . . . . 58 VAL CB . 10147 1 648 . 1 1 58 58 VAL HB H 1 1.699 0.030 . 1 . . . . 58 VAL HB . 10147 1 649 . 1 1 58 58 VAL CG1 C 13 22.642 0.300 . 2 . . . . 58 VAL CG1 . 10147 1 650 . 1 1 58 58 VAL HG11 H 1 0.994 0.030 . 1 . . . . 58 VAL HG1 . 10147 1 651 . 1 1 58 58 VAL HG12 H 1 0.994 0.030 . 1 . . . . 58 VAL HG1 . 10147 1 652 . 1 1 58 58 VAL HG13 H 1 0.994 0.030 . 1 . . . . 58 VAL HG1 . 10147 1 653 . 1 1 58 58 VAL CG2 C 13 21.199 0.300 . 2 . . . . 58 VAL CG2 . 10147 1 654 . 1 1 58 58 VAL HG21 H 1 0.960 0.030 . 1 . . . . 58 VAL HG2 . 10147 1 655 . 1 1 58 58 VAL HG22 H 1 0.960 0.030 . 1 . . . . 58 VAL HG2 . 10147 1 656 . 1 1 58 58 VAL HG23 H 1 0.960 0.030 . 1 . . . . 58 VAL HG2 . 10147 1 657 . 1 1 58 58 VAL C C 13 173.747 0.300 . 1 . . . . 58 VAL C . 10147 1 658 . 1 1 59 59 GLU N N 15 127.314 0.300 . 1 . . . . 59 GLU N . 10147 1 659 . 1 1 59 59 GLU H H 1 8.783 0.030 . 1 . . . . 59 GLU H . 10147 1 660 . 1 1 59 59 GLU CA C 13 54.465 0.300 . 1 . . . . 59 GLU CA . 10147 1 661 . 1 1 59 59 GLU HA H 1 4.671 0.030 . 1 . . . . 59 GLU HA . 10147 1 662 . 1 1 59 59 GLU CB C 13 30.020 0.300 . 1 . . . . 59 GLU CB . 10147 1 663 . 1 1 59 59 GLU HB2 H 1 1.765 0.030 . 1 . . . . 59 GLU HB2 . 10147 1 664 . 1 1 59 59 GLU HB3 H 1 1.765 0.030 . 1 . . . . 59 GLU HB3 . 10147 1 665 . 1 1 59 59 GLU CG C 13 36.151 0.300 . 1 . . . . 59 GLU CG . 10147 1 666 . 1 1 59 59 GLU HG2 H 1 2.162 0.030 . 1 . . . . 59 GLU HG2 . 10147 1 667 . 1 1 59 59 GLU HG3 H 1 2.162 0.030 . 1 . . . . 59 GLU HG3 . 10147 1 668 . 1 1 59 59 GLU C C 13 176.450 0.300 . 1 . . . . 59 GLU C . 10147 1 669 . 1 1 60 60 MET N N 15 122.273 0.300 . 1 . . . . 60 MET N . 10147 1 670 . 1 1 60 60 MET H H 1 9.004 0.030 . 1 . . . . 60 MET H . 10147 1 671 . 1 1 60 60 MET CA C 13 55.751 0.300 . 1 . . . . 60 MET CA . 10147 1 672 . 1 1 60 60 MET HA H 1 4.613 0.030 . 1 . . . . 60 MET HA . 10147 1 673 . 1 1 60 60 MET CB C 13 29.356 0.300 . 1 . . . . 60 MET CB . 10147 1 674 . 1 1 60 60 MET HB2 H 1 2.049 0.030 . 2 . . . . 60 MET HB2 . 10147 1 675 . 1 1 60 60 MET HB3 H 1 2.175 0.030 . 2 . . . . 60 MET HB3 . 10147 1 676 . 1 1 60 60 MET CG C 13 31.036 0.300 . 1 . . . . 60 MET CG . 10147 1 677 . 1 1 60 60 MET HG2 H 1 2.367 0.030 . 2 . . . . 60 MET HG2 . 10147 1 678 . 1 1 60 60 MET HG3 H 1 2.948 0.030 . 2 . . . . 60 MET HG3 . 10147 1 679 . 1 1 60 60 MET CE C 13 15.284 0.300 . 1 . . . . 60 MET CE . 10147 1 680 . 1 1 60 60 MET HE1 H 1 2.136 0.030 . 1 . . . . 60 MET HE . 10147 1 681 . 1 1 60 60 MET HE2 H 1 2.136 0.030 . 1 . . . . 60 MET HE . 10147 1 682 . 1 1 60 60 MET HE3 H 1 2.136 0.030 . 1 . . . . 60 MET HE . 10147 1 683 . 1 1 60 60 MET C C 13 178.387 0.300 . 1 . . . . 60 MET C . 10147 1 684 . 1 1 61 61 HIS N N 15 115.823 0.300 . 1 . . . . 61 HIS N . 10147 1 685 . 1 1 61 61 HIS H H 1 8.198 0.030 . 1 . . . . 61 HIS H . 10147 1 686 . 1 1 61 61 HIS CA C 13 57.963 0.300 . 1 . . . . 61 HIS CA . 10147 1 687 . 1 1 61 61 HIS HA H 1 4.341 0.030 . 1 . . . . 61 HIS HA . 10147 1 688 . 1 1 61 61 HIS CB C 13 29.235 0.300 . 1 . . . . 61 HIS CB . 10147 1 689 . 1 1 61 61 HIS HB2 H 1 3.155 0.030 . 2 . . . . 61 HIS HB2 . 10147 1 690 . 1 1 61 61 HIS HB3 H 1 2.940 0.030 . 2 . . . . 61 HIS HB3 . 10147 1 691 . 1 1 61 61 HIS CD2 C 13 118.667 0.300 . 1 . . . . 61 HIS CD2 . 10147 1 692 . 1 1 61 61 HIS HD2 H 1 6.806 0.030 . 1 . . . . 61 HIS HD2 . 10147 1 693 . 1 1 61 61 HIS CE1 C 13 138.669 0.300 . 1 . . . . 61 HIS CE1 . 10147 1 694 . 1 1 61 61 HIS HE1 H 1 7.738 0.030 . 1 . . . . 61 HIS HE1 . 10147 1 695 . 1 1 61 61 HIS C C 13 175.800 0.300 . 1 . . . . 61 HIS C . 10147 1 696 . 1 1 62 62 ASN N N 15 115.093 0.300 . 1 . . . . 62 ASN N . 10147 1 697 . 1 1 62 62 ASN H H 1 6.895 0.030 . 1 . . . . 62 ASN H . 10147 1 698 . 1 1 62 62 ASN CA C 13 54.503 0.300 . 1 . . . . 62 ASN CA . 10147 1 699 . 1 1 62 62 ASN HA H 1 3.872 0.030 . 1 . . . . 62 ASN HA . 10147 1 700 . 1 1 62 62 ASN CB C 13 38.749 0.300 . 1 . . . . 62 ASN CB . 10147 1 701 . 1 1 62 62 ASN HB2 H 1 1.232 0.030 . 2 . . . . 62 ASN HB2 . 10147 1 702 . 1 1 62 62 ASN HB3 H 1 1.071 0.030 . 2 . . . . 62 ASN HB3 . 10147 1 703 . 1 1 62 62 ASN ND2 N 15 115.999 0.300 . 1 . . . . 62 ASN ND2 . 10147 1 704 . 1 1 62 62 ASN HD21 H 1 7.149 0.030 . 2 . . . . 62 ASN HD21 . 10147 1 705 . 1 1 62 62 ASN HD22 H 1 7.230 0.030 . 2 . . . . 62 ASN HD22 . 10147 1 706 . 1 1 62 62 ASN C C 13 173.014 0.300 . 1 . . . . 62 ASN C . 10147 1 707 . 1 1 63 63 TYR N N 15 118.560 0.300 . 1 . . . . 63 TYR N . 10147 1 708 . 1 1 63 63 TYR H H 1 7.255 0.030 . 1 . . . . 63 TYR H . 10147 1 709 . 1 1 63 63 TYR CA C 13 56.311 0.300 . 1 . . . . 63 TYR CA . 10147 1 710 . 1 1 63 63 TYR HA H 1 4.481 0.030 . 1 . . . . 63 TYR HA . 10147 1 711 . 1 1 63 63 TYR CB C 13 39.138 0.300 . 1 . . . . 63 TYR CB . 10147 1 712 . 1 1 63 63 TYR HB2 H 1 2.698 0.030 . 2 . . . . 63 TYR HB2 . 10147 1 713 . 1 1 63 63 TYR HB3 H 1 2.488 0.030 . 2 . . . . 63 TYR HB3 . 10147 1 714 . 1 1 63 63 TYR CD1 C 13 132.665 0.300 . 1 . . . . 63 TYR CD1 . 10147 1 715 . 1 1 63 63 TYR HD1 H 1 6.776 0.030 . 1 . . . . 63 TYR HD1 . 10147 1 716 . 1 1 63 63 TYR CD2 C 13 132.665 0.300 . 1 . . . . 63 TYR CD2 . 10147 1 717 . 1 1 63 63 TYR HD2 H 1 6.776 0.030 . 1 . . . . 63 TYR HD2 . 10147 1 718 . 1 1 63 63 TYR CE1 C 13 119.916 0.300 . 1 . . . . 63 TYR CE1 . 10147 1 719 . 1 1 63 63 TYR HE1 H 1 6.854 0.030 . 1 . . . . 63 TYR HE1 . 10147 1 720 . 1 1 63 63 TYR CE2 C 13 119.916 0.300 . 1 . . . . 63 TYR CE2 . 10147 1 721 . 1 1 63 63 TYR HE2 H 1 6.854 0.030 . 1 . . . . 63 TYR HE2 . 10147 1 722 . 1 1 63 63 TYR C C 13 173.223 0.300 . 1 . . . . 63 TYR C . 10147 1 723 . 1 1 64 64 VAL N N 15 122.318 0.300 . 1 . . . . 64 VAL N . 10147 1 724 . 1 1 64 64 VAL H H 1 7.750 0.030 . 1 . . . . 64 VAL H . 10147 1 725 . 1 1 64 64 VAL CA C 13 58.601 0.300 . 1 . . . . 64 VAL CA . 10147 1 726 . 1 1 64 64 VAL HA H 1 4.469 0.030 . 1 . . . . 64 VAL HA . 10147 1 727 . 1 1 64 64 VAL CB C 13 33.747 0.300 . 1 . . . . 64 VAL CB . 10147 1 728 . 1 1 64 64 VAL HB H 1 1.990 0.030 . 1 . . . . 64 VAL HB . 10147 1 729 . 1 1 64 64 VAL CG1 C 13 20.575 0.300 . 2 . . . . 64 VAL CG1 . 10147 1 730 . 1 1 64 64 VAL HG11 H 1 0.926 0.030 . 1 . . . . 64 VAL HG1 . 10147 1 731 . 1 1 64 64 VAL HG12 H 1 0.926 0.030 . 1 . . . . 64 VAL HG1 . 10147 1 732 . 1 1 64 64 VAL HG13 H 1 0.926 0.030 . 1 . . . . 64 VAL HG1 . 10147 1 733 . 1 1 64 64 VAL CG2 C 13 19.829 0.300 . 2 . . . . 64 VAL CG2 . 10147 1 734 . 1 1 64 64 VAL HG21 H 1 0.847 0.030 . 1 . . . . 64 VAL HG2 . 10147 1 735 . 1 1 64 64 VAL HG22 H 1 0.847 0.030 . 1 . . . . 64 VAL HG2 . 10147 1 736 . 1 1 64 64 VAL HG23 H 1 0.847 0.030 . 1 . . . . 64 VAL HG2 . 10147 1 737 . 1 1 64 64 VAL C C 13 173.983 0.300 . 1 . . . . 64 VAL C . 10147 1 738 . 1 1 65 65 PRO CA C 13 63.212 0.300 . 1 . . . . 65 PRO CA . 10147 1 739 . 1 1 65 65 PRO HA H 1 4.348 0.030 . 1 . . . . 65 PRO HA . 10147 1 740 . 1 1 65 65 PRO CB C 13 31.279 0.300 . 1 . . . . 65 PRO CB . 10147 1 741 . 1 1 65 65 PRO HB2 H 1 2.152 0.030 . 2 . . . . 65 PRO HB2 . 10147 1 742 . 1 1 65 65 PRO HB3 H 1 1.879 0.030 . 2 . . . . 65 PRO HB3 . 10147 1 743 . 1 1 65 65 PRO CG C 13 28.118 0.300 . 1 . . . . 65 PRO CG . 10147 1 744 . 1 1 65 65 PRO HG2 H 1 1.857 0.030 . 2 . . . . 65 PRO HG2 . 10147 1 745 . 1 1 65 65 PRO HG3 H 1 2.165 0.030 . 2 . . . . 65 PRO HG3 . 10147 1 746 . 1 1 65 65 PRO CD C 13 50.746 0.300 . 1 . . . . 65 PRO CD . 10147 1 747 . 1 1 65 65 PRO HD2 H 1 3.657 0.030 . 2 . . . . 65 PRO HD2 . 10147 1 748 . 1 1 65 65 PRO HD3 H 1 3.905 0.030 . 2 . . . . 65 PRO HD3 . 10147 1 749 . 1 1 65 65 PRO C C 13 176.821 0.300 . 1 . . . . 65 PRO C . 10147 1 750 . 1 1 66 66 ALA N N 15 125.896 0.300 . 1 . . . . 66 ALA N . 10147 1 751 . 1 1 66 66 ALA H H 1 8.563 0.030 . 1 . . . . 66 ALA H . 10147 1 752 . 1 1 66 66 ALA CA C 13 52.003 0.300 . 1 . . . . 66 ALA CA . 10147 1 753 . 1 1 66 66 ALA HA H 1 4.651 0.030 . 1 . . . . 66 ALA HA . 10147 1 754 . 1 1 66 66 ALA CB C 13 24.137 0.300 . 1 . . . . 66 ALA CB . 10147 1 755 . 1 1 66 66 ALA HB1 H 1 1.496 0.030 . 1 . . . . 66 ALA HB . 10147 1 756 . 1 1 66 66 ALA HB2 H 1 1.496 0.030 . 1 . . . . 66 ALA HB . 10147 1 757 . 1 1 66 66 ALA HB3 H 1 1.496 0.030 . 1 . . . . 66 ALA HB . 10147 1 758 . 1 1 66 66 ALA C C 13 176.244 0.300 . 1 . . . . 66 ALA C . 10147 1 759 . 1 1 67 67 ASN CA C 13 52.862 0.300 . 1 . . . . 67 ASN CA . 10147 1 760 . 1 1 67 67 ASN HA H 1 4.988 0.030 . 1 . . . . 67 ASN HA . 10147 1 761 . 1 1 67 67 ASN CB C 13 40.168 0.300 . 1 . . . . 67 ASN CB . 10147 1 762 . 1 1 67 67 ASN HB2 H 1 2.901 0.030 . 2 . . . . 67 ASN HB2 . 10147 1 763 . 1 1 67 67 ASN HB3 H 1 2.809 0.030 . 2 . . . . 67 ASN HB3 . 10147 1 764 . 1 1 67 67 ASN ND2 N 15 113.529 0.300 . 1 . . . . 67 ASN ND2 . 10147 1 765 . 1 1 67 67 ASN HD21 H 1 6.962 0.030 . 2 . . . . 67 ASN HD21 . 10147 1 766 . 1 1 67 67 ASN HD22 H 1 7.657 0.030 . 2 . . . . 67 ASN HD22 . 10147 1 767 . 1 1 67 67 ASN C C 13 174.896 0.300 . 1 . . . . 67 ASN C . 10147 1 768 . 1 1 68 68 SER N N 15 114.553 0.300 . 1 . . . . 68 SER N . 10147 1 769 . 1 1 68 68 SER H H 1 7.777 0.030 . 1 . . . . 68 SER H . 10147 1 770 . 1 1 68 68 SER CA C 13 56.741 0.300 . 1 . . . . 68 SER CA . 10147 1 771 . 1 1 68 68 SER HA H 1 4.737 0.030 . 1 . . . . 68 SER HA . 10147 1 772 . 1 1 68 68 SER CB C 13 65.267 0.300 . 1 . . . . 68 SER CB . 10147 1 773 . 1 1 68 68 SER HB2 H 1 4.239 0.030 . 2 . . . . 68 SER HB2 . 10147 1 774 . 1 1 68 68 SER HB3 H 1 4.012 0.030 . 2 . . . . 68 SER HB3 . 10147 1 775 . 1 1 68 68 SER C C 13 174.542 0.300 . 1 . . . . 68 SER C . 10147 1 776 . 1 1 69 69 LEU CA C 13 59.000 0.300 . 1 . . . . 69 LEU CA . 10147 1 777 . 1 1 69 69 LEU HA H 1 3.961 0.030 . 1 . . . . 69 LEU HA . 10147 1 778 . 1 1 69 69 LEU CB C 13 41.679 0.300 . 1 . . . . 69 LEU CB . 10147 1 779 . 1 1 69 69 LEU HB2 H 1 1.765 0.030 . 2 . . . . 69 LEU HB2 . 10147 1 780 . 1 1 69 69 LEU HB3 H 1 1.806 0.030 . 2 . . . . 69 LEU HB3 . 10147 1 781 . 1 1 69 69 LEU CG C 13 26.952 0.300 . 1 . . . . 69 LEU CG . 10147 1 782 . 1 1 69 69 LEU HG H 1 1.624 0.030 . 1 . . . . 69 LEU HG . 10147 1 783 . 1 1 69 69 LEU CD1 C 13 24.534 0.300 . 2 . . . . 69 LEU CD1 . 10147 1 784 . 1 1 69 69 LEU HD11 H 1 0.950 0.030 . 1 . . . . 69 LEU HD1 . 10147 1 785 . 1 1 69 69 LEU HD12 H 1 0.950 0.030 . 1 . . . . 69 LEU HD1 . 10147 1 786 . 1 1 69 69 LEU HD13 H 1 0.950 0.030 . 1 . . . . 69 LEU HD1 . 10147 1 787 . 1 1 69 69 LEU CD2 C 13 25.530 0.300 . 2 . . . . 69 LEU CD2 . 10147 1 788 . 1 1 69 69 LEU HD21 H 1 0.942 0.030 . 1 . . . . 69 LEU HD2 . 10147 1 789 . 1 1 69 69 LEU HD22 H 1 0.942 0.030 . 1 . . . . 69 LEU HD2 . 10147 1 790 . 1 1 69 69 LEU HD23 H 1 0.942 0.030 . 1 . . . . 69 LEU HD2 . 10147 1 791 . 1 1 69 69 LEU C C 13 178.629 0.300 . 1 . . . . 69 LEU C . 10147 1 792 . 1 1 70 70 GLN N N 15 115.924 0.300 . 1 . . . . 70 GLN N . 10147 1 793 . 1 1 70 70 GLN H H 1 8.785 0.030 . 1 . . . . 70 GLN H . 10147 1 794 . 1 1 70 70 GLN CA C 13 59.728 0.300 . 1 . . . . 70 GLN CA . 10147 1 795 . 1 1 70 70 GLN HA H 1 3.977 0.030 . 1 . . . . 70 GLN HA . 10147 1 796 . 1 1 70 70 GLN CB C 13 27.912 0.300 . 1 . . . . 70 GLN CB . 10147 1 797 . 1 1 70 70 GLN HB2 H 1 2.063 0.030 . 2 . . . . 70 GLN HB2 . 10147 1 798 . 1 1 70 70 GLN HB3 H 1 2.173 0.030 . 2 . . . . 70 GLN HB3 . 10147 1 799 . 1 1 70 70 GLN CG C 13 33.860 0.300 . 1 . . . . 70 GLN CG . 10147 1 800 . 1 1 70 70 GLN HG2 H 1 2.487 0.030 . 1 . . . . 70 GLN HG2 . 10147 1 801 . 1 1 70 70 GLN HG3 H 1 2.487 0.030 . 1 . . . . 70 GLN HG3 . 10147 1 802 . 1 1 70 70 GLN NE2 N 15 112.700 0.300 . 1 . . . . 70 GLN NE2 . 10147 1 803 . 1 1 70 70 GLN HE21 H 1 6.961 0.030 . 2 . . . . 70 GLN HE21 . 10147 1 804 . 1 1 70 70 GLN HE22 H 1 7.579 0.030 . 2 . . . . 70 GLN HE22 . 10147 1 805 . 1 1 70 70 GLN C C 13 178.954 0.300 . 1 . . . . 70 GLN C . 10147 1 806 . 1 1 71 71 GLN N N 15 118.694 0.300 . 1 . . . . 71 GLN N . 10147 1 807 . 1 1 71 71 GLN H H 1 7.780 0.030 . 1 . . . . 71 GLN H . 10147 1 808 . 1 1 71 71 GLN CA C 13 58.233 0.300 . 1 . . . . 71 GLN CA . 10147 1 809 . 1 1 71 71 GLN HA H 1 4.219 0.030 . 1 . . . . 71 GLN HA . 10147 1 810 . 1 1 71 71 GLN CB C 13 29.089 0.300 . 1 . . . . 71 GLN CB . 10147 1 811 . 1 1 71 71 GLN HB2 H 1 2.233 0.030 . 2 . . . . 71 GLN HB2 . 10147 1 812 . 1 1 71 71 GLN HB3 H 1 2.059 0.030 . 2 . . . . 71 GLN HB3 . 10147 1 813 . 1 1 71 71 GLN CG C 13 34.855 0.300 . 1 . . . . 71 GLN CG . 10147 1 814 . 1 1 71 71 GLN HG2 H 1 2.391 0.030 . 2 . . . . 71 GLN HG2 . 10147 1 815 . 1 1 71 71 GLN HG3 H 1 2.465 0.030 . 2 . . . . 71 GLN HG3 . 10147 1 816 . 1 1 71 71 GLN NE2 N 15 115.722 0.300 . 1 . . . . 71 GLN NE2 . 10147 1 817 . 1 1 71 71 GLN HE21 H 1 7.437 0.030 . 2 . . . . 71 GLN HE21 . 10147 1 818 . 1 1 71 71 GLN HE22 H 1 7.307 0.030 . 2 . . . . 71 GLN HE22 . 10147 1 819 . 1 1 71 71 GLN C C 13 178.724 0.300 . 1 . . . . 71 GLN C . 10147 1 820 . 1 1 72 72 LYS N N 15 119.661 0.300 . 1 . . . . 72 LYS N . 10147 1 821 . 1 1 72 72 LYS H H 1 8.094 0.030 . 1 . . . . 72 LYS H . 10147 1 822 . 1 1 72 72 LYS CA C 13 61.528 0.300 . 1 . . . . 72 LYS CA . 10147 1 823 . 1 1 72 72 LYS HA H 1 4.206 0.030 . 1 . . . . 72 LYS HA . 10147 1 824 . 1 1 72 72 LYS CB C 13 33.806 0.300 . 1 . . . . 72 LYS CB . 10147 1 825 . 1 1 72 72 LYS HB2 H 1 2.416 0.030 . 2 . . . . 72 LYS HB2 . 10147 1 826 . 1 1 72 72 LYS HB3 H 1 2.134 0.030 . 2 . . . . 72 LYS HB3 . 10147 1 827 . 1 1 72 72 LYS CG C 13 26.582 0.300 . 1 . . . . 72 LYS CG . 10147 1 828 . 1 1 72 72 LYS HG2 H 1 1.208 0.030 . 2 . . . . 72 LYS HG2 . 10147 1 829 . 1 1 72 72 LYS HG3 H 1 2.095 0.030 . 2 . . . . 72 LYS HG3 . 10147 1 830 . 1 1 72 72 LYS CD C 13 30.927 0.300 . 1 . . . . 72 LYS CD . 10147 1 831 . 1 1 72 72 LYS HD2 H 1 1.720 0.030 . 2 . . . . 72 LYS HD2 . 10147 1 832 . 1 1 72 72 LYS HD3 H 1 1.853 0.030 . 2 . . . . 72 LYS HD3 . 10147 1 833 . 1 1 72 72 LYS CE C 13 42.691 0.300 . 1 . . . . 72 LYS CE . 10147 1 834 . 1 1 72 72 LYS HE2 H 1 2.862 0.030 . 2 . . . . 72 LYS HE2 . 10147 1 835 . 1 1 72 72 LYS HE3 H 1 3.061 0.030 . 2 . . . . 72 LYS HE3 . 10147 1 836 . 1 1 72 72 LYS C C 13 179.041 0.300 . 1 . . . . 72 LYS C . 10147 1 837 . 1 1 73 73 LEU N N 15 117.098 0.300 . 1 . . . . 73 LEU N . 10147 1 838 . 1 1 73 73 LEU H H 1 8.602 0.030 . 1 . . . . 73 LEU H . 10147 1 839 . 1 1 73 73 LEU CA C 13 58.118 0.300 . 1 . . . . 73 LEU CA . 10147 1 840 . 1 1 73 73 LEU HA H 1 4.287 0.030 . 1 . . . . 73 LEU HA . 10147 1 841 . 1 1 73 73 LEU CB C 13 40.831 0.300 . 1 . . . . 73 LEU CB . 10147 1 842 . 1 1 73 73 LEU HB2 H 1 2.032 0.030 . 2 . . . . 73 LEU HB2 . 10147 1 843 . 1 1 73 73 LEU HB3 H 1 1.553 0.030 . 2 . . . . 73 LEU HB3 . 10147 1 844 . 1 1 73 73 LEU CG C 13 26.844 0.300 . 1 . . . . 73 LEU CG . 10147 1 845 . 1 1 73 73 LEU HG H 1 1.856 0.030 . 1 . . . . 73 LEU HG . 10147 1 846 . 1 1 73 73 LEU CD1 C 13 25.549 0.300 . 2 . . . . 73 LEU CD1 . 10147 1 847 . 1 1 73 73 LEU HD11 H 1 0.891 0.030 . 1 . . . . 73 LEU HD1 . 10147 1 848 . 1 1 73 73 LEU HD12 H 1 0.891 0.030 . 1 . . . . 73 LEU HD1 . 10147 1 849 . 1 1 73 73 LEU HD13 H 1 0.891 0.030 . 1 . . . . 73 LEU HD1 . 10147 1 850 . 1 1 73 73 LEU CD2 C 13 22.681 0.300 . 2 . . . . 73 LEU CD2 . 10147 1 851 . 1 1 73 73 LEU HD21 H 1 0.772 0.030 . 1 . . . . 73 LEU HD2 . 10147 1 852 . 1 1 73 73 LEU HD22 H 1 0.772 0.030 . 1 . . . . 73 LEU HD2 . 10147 1 853 . 1 1 73 73 LEU HD23 H 1 0.772 0.030 . 1 . . . . 73 LEU HD2 . 10147 1 854 . 1 1 73 73 LEU C C 13 180.838 0.300 . 1 . . . . 73 LEU C . 10147 1 855 . 1 1 74 74 SER N N 15 118.060 0.300 . 1 . . . . 74 SER N . 10147 1 856 . 1 1 74 74 SER H H 1 8.334 0.030 . 1 . . . . 74 SER H . 10147 1 857 . 1 1 74 74 SER CA C 13 61.971 0.300 . 1 . . . . 74 SER CA . 10147 1 858 . 1 1 74 74 SER HA H 1 4.431 0.030 . 1 . . . . 74 SER HA . 10147 1 859 . 1 1 74 74 SER CB C 13 62.560 0.300 . 1 . . . . 74 SER CB . 10147 1 860 . 1 1 74 74 SER HB2 H 1 4.113 0.030 . 2 . . . . 74 SER HB2 . 10147 1 861 . 1 1 74 74 SER HB3 H 1 4.154 0.030 . 2 . . . . 74 SER HB3 . 10147 1 862 . 1 1 74 74 SER C C 13 177.493 0.300 . 1 . . . . 74 SER C . 10147 1 863 . 1 1 75 75 ASN N N 15 121.688 0.300 . 1 . . . . 75 ASN N . 10147 1 864 . 1 1 75 75 ASN H H 1 8.266 0.030 . 1 . . . . 75 ASN H . 10147 1 865 . 1 1 75 75 ASN CA C 13 56.090 0.300 . 1 . . . . 75 ASN CA . 10147 1 866 . 1 1 75 75 ASN HA H 1 4.739 0.030 . 1 . . . . 75 ASN HA . 10147 1 867 . 1 1 75 75 ASN CB C 13 38.184 0.300 . 1 . . . . 75 ASN CB . 10147 1 868 . 1 1 75 75 ASN HB2 H 1 3.757 0.030 . 2 . . . . 75 ASN HB2 . 10147 1 869 . 1 1 75 75 ASN HB3 H 1 2.687 0.030 . 2 . . . . 75 ASN HB3 . 10147 1 870 . 1 1 75 75 ASN ND2 N 15 110.906 0.300 . 1 . . . . 75 ASN ND2 . 10147 1 871 . 1 1 75 75 ASN HD21 H 1 8.427 0.030 . 2 . . . . 75 ASN HD21 . 10147 1 872 . 1 1 75 75 ASN HD22 H 1 8.299 0.030 . 2 . . . . 75 ASN HD22 . 10147 1 873 . 1 1 75 75 ASN C C 13 177.792 0.300 . 1 . . . . 75 ASN C . 10147 1 874 . 1 1 76 76 TRP N N 15 118.943 0.300 . 1 . . . . 76 TRP N . 10147 1 875 . 1 1 76 76 TRP H H 1 8.510 0.030 . 1 . . . . 76 TRP H . 10147 1 876 . 1 1 76 76 TRP CA C 13 62.294 0.300 . 1 . . . . 76 TRP CA . 10147 1 877 . 1 1 76 76 TRP HA H 1 4.173 0.030 . 1 . . . . 76 TRP HA . 10147 1 878 . 1 1 76 76 TRP CB C 13 29.223 0.300 . 1 . . . . 76 TRP CB . 10147 1 879 . 1 1 76 76 TRP HB2 H 1 3.678 0.030 . 2 . . . . 76 TRP HB2 . 10147 1 880 . 1 1 76 76 TRP HB3 H 1 3.256 0.030 . 2 . . . . 76 TRP HB3 . 10147 1 881 . 1 1 76 76 TRP CD1 C 13 126.753 0.300 . 1 . . . . 76 TRP CD1 . 10147 1 882 . 1 1 76 76 TRP HD1 H 1 7.377 0.030 . 1 . . . . 76 TRP HD1 . 10147 1 883 . 1 1 76 76 TRP NE1 N 15 128.243 0.300 . 1 . . . . 76 TRP NE1 . 10147 1 884 . 1 1 76 76 TRP HE1 H 1 9.464 0.030 . 1 . . . . 76 TRP HE1 . 10147 1 885 . 1 1 76 76 TRP CE3 C 13 119.677 0.300 . 1 . . . . 76 TRP CE3 . 10147 1 886 . 1 1 76 76 TRP HE3 H 1 7.577 0.030 . 1 . . . . 76 TRP HE3 . 10147 1 887 . 1 1 76 76 TRP CZ2 C 13 115.001 0.300 . 1 . . . . 76 TRP CZ2 . 10147 1 888 . 1 1 76 76 TRP HZ2 H 1 7.706 0.030 . 1 . . . . 76 TRP HZ2 . 10147 1 889 . 1 1 76 76 TRP CZ3 C 13 120.174 0.300 . 1 . . . . 76 TRP CZ3 . 10147 1 890 . 1 1 76 76 TRP HZ3 H 1 6.877 0.030 . 1 . . . . 76 TRP HZ3 . 10147 1 891 . 1 1 76 76 TRP CH2 C 13 123.134 0.300 . 1 . . . . 76 TRP CH2 . 10147 1 892 . 1 1 76 76 TRP HH2 H 1 7.016 0.030 . 1 . . . . 76 TRP HH2 . 10147 1 893 . 1 1 76 76 TRP C C 13 178.579 0.300 . 1 . . . . 76 TRP C . 10147 1 894 . 1 1 77 77 GLY N N 15 107.789 0.300 . 1 . . . . 77 GLY N . 10147 1 895 . 1 1 77 77 GLY H H 1 8.954 0.030 . 1 . . . . 77 GLY H . 10147 1 896 . 1 1 77 77 GLY CA C 13 47.600 0.300 . 1 . . . . 77 GLY CA . 10147 1 897 . 1 1 77 77 GLY HA2 H 1 4.122 0.030 . 2 . . . . 77 GLY HA2 . 10147 1 898 . 1 1 77 77 GLY HA3 H 1 3.977 0.030 . 2 . . . . 77 GLY HA3 . 10147 1 899 . 1 1 77 77 GLY C C 13 176.076 0.300 . 1 . . . . 77 GLY C . 10147 1 900 . 1 1 78 78 HIS N N 15 122.925 0.300 . 1 . . . . 78 HIS N . 10147 1 901 . 1 1 78 78 HIS H H 1 8.127 0.030 . 1 . . . . 78 HIS H . 10147 1 902 . 1 1 78 78 HIS CA C 13 61.550 0.300 . 1 . . . . 78 HIS CA . 10147 1 903 . 1 1 78 78 HIS HA H 1 4.206 0.030 . 1 . . . . 78 HIS HA . 10147 1 904 . 1 1 78 78 HIS CB C 13 30.794 0.300 . 1 . . . . 78 HIS CB . 10147 1 905 . 1 1 78 78 HIS HB2 H 1 3.359 0.030 . 1 . . . . 78 HIS HB2 . 10147 1 906 . 1 1 78 78 HIS HB3 H 1 3.359 0.030 . 1 . . . . 78 HIS HB3 . 10147 1 907 . 1 1 78 78 HIS CD2 C 13 118.808 0.300 . 1 . . . . 78 HIS CD2 . 10147 1 908 . 1 1 78 78 HIS HD2 H 1 7.094 0.030 . 1 . . . . 78 HIS HD2 . 10147 1 909 . 1 1 78 78 HIS CE1 C 13 138.076 0.300 . 1 . . . . 78 HIS CE1 . 10147 1 910 . 1 1 78 78 HIS HE1 H 1 7.563 0.030 . 1 . . . . 78 HIS HE1 . 10147 1 911 . 1 1 78 78 HIS C C 13 177.572 0.300 . 1 . . . . 78 HIS C . 10147 1 912 . 1 1 79 79 LEU N N 15 120.009 0.300 . 1 . . . . 79 LEU N . 10147 1 913 . 1 1 79 79 LEU H H 1 8.726 0.030 . 1 . . . . 79 LEU H . 10147 1 914 . 1 1 79 79 LEU CA C 13 58.252 0.300 . 1 . . . . 79 LEU CA . 10147 1 915 . 1 1 79 79 LEU HA H 1 4.227 0.030 . 1 . . . . 79 LEU HA . 10147 1 916 . 1 1 79 79 LEU CB C 13 43.075 0.300 . 1 . . . . 79 LEU CB . 10147 1 917 . 1 1 79 79 LEU HB2 H 1 1.785 0.030 . 2 . . . . 79 LEU HB2 . 10147 1 918 . 1 1 79 79 LEU HB3 H 1 1.596 0.030 . 2 . . . . 79 LEU HB3 . 10147 1 919 . 1 1 79 79 LEU CG C 13 26.800 0.300 . 1 . . . . 79 LEU CG . 10147 1 920 . 1 1 79 79 LEU HG H 1 1.414 0.030 . 1 . . . . 79 LEU HG . 10147 1 921 . 1 1 79 79 LEU CD1 C 13 23.056 0.300 . 2 . . . . 79 LEU CD1 . 10147 1 922 . 1 1 79 79 LEU HD11 H 1 0.288 0.030 . 1 . . . . 79 LEU HD1 . 10147 1 923 . 1 1 79 79 LEU HD12 H 1 0.288 0.030 . 1 . . . . 79 LEU HD1 . 10147 1 924 . 1 1 79 79 LEU HD13 H 1 0.288 0.030 . 1 . . . . 79 LEU HD1 . 10147 1 925 . 1 1 79 79 LEU CD2 C 13 24.659 0.300 . 2 . . . . 79 LEU CD2 . 10147 1 926 . 1 1 79 79 LEU HD21 H 1 0.286 0.030 . 1 . . . . 79 LEU HD2 . 10147 1 927 . 1 1 79 79 LEU HD22 H 1 0.286 0.030 . 1 . . . . 79 LEU HD2 . 10147 1 928 . 1 1 79 79 LEU HD23 H 1 0.286 0.030 . 1 . . . . 79 LEU HD2 . 10147 1 929 . 1 1 79 79 LEU C C 13 181.067 0.300 . 1 . . . . 79 LEU C . 10147 1 930 . 1 1 80 80 ASN N N 15 119.257 0.300 . 1 . . . . 80 ASN N . 10147 1 931 . 1 1 80 80 ASN H H 1 9.270 0.030 . 1 . . . . 80 ASN H . 10147 1 932 . 1 1 80 80 ASN CA C 13 57.279 0.300 . 1 . . . . 80 ASN CA . 10147 1 933 . 1 1 80 80 ASN HA H 1 4.595 0.030 . 1 . . . . 80 ASN HA . 10147 1 934 . 1 1 80 80 ASN CB C 13 40.403 0.300 . 1 . . . . 80 ASN CB . 10147 1 935 . 1 1 80 80 ASN HB2 H 1 3.149 0.030 . 2 . . . . 80 ASN HB2 . 10147 1 936 . 1 1 80 80 ASN HB3 H 1 3.089 0.030 . 2 . . . . 80 ASN HB3 . 10147 1 937 . 1 1 80 80 ASN ND2 N 15 112.506 0.300 . 1 . . . . 80 ASN ND2 . 10147 1 938 . 1 1 80 80 ASN HD21 H 1 7.600 0.030 . 2 . . . . 80 ASN HD21 . 10147 1 939 . 1 1 80 80 ASN HD22 H 1 6.861 0.030 . 2 . . . . 80 ASN HD22 . 10147 1 940 . 1 1 80 80 ASN C C 13 177.177 0.300 . 1 . . . . 80 ASN C . 10147 1 941 . 1 1 81 81 ARG N N 15 115.731 0.300 . 1 . . . . 81 ARG N . 10147 1 942 . 1 1 81 81 ARG H H 1 8.085 0.030 . 1 . . . . 81 ARG H . 10147 1 943 . 1 1 81 81 ARG CA C 13 59.249 0.300 . 1 . . . . 81 ARG CA . 10147 1 944 . 1 1 81 81 ARG HA H 1 4.167 0.030 . 1 . . . . 81 ARG HA . 10147 1 945 . 1 1 81 81 ARG CB C 13 31.579 0.300 . 1 . . . . 81 ARG CB . 10147 1 946 . 1 1 81 81 ARG HB2 H 1 1.985 0.030 . 2 . . . . 81 ARG HB2 . 10147 1 947 . 1 1 81 81 ARG HB3 H 1 1.858 0.030 . 2 . . . . 81 ARG HB3 . 10147 1 948 . 1 1 81 81 ARG CG C 13 28.322 0.300 . 1 . . . . 81 ARG CG . 10147 1 949 . 1 1 81 81 ARG HG2 H 1 1.708 0.030 . 2 . . . . 81 ARG HG2 . 10147 1 950 . 1 1 81 81 ARG HG3 H 1 1.879 0.030 . 2 . . . . 81 ARG HG3 . 10147 1 951 . 1 1 81 81 ARG CD C 13 43.354 0.300 . 1 . . . . 81 ARG CD . 10147 1 952 . 1 1 81 81 ARG HD2 H 1 3.243 0.030 . 1 . . . . 81 ARG HD2 . 10147 1 953 . 1 1 81 81 ARG HD3 H 1 3.243 0.030 . 1 . . . . 81 ARG HD3 . 10147 1 954 . 1 1 81 81 ARG C C 13 177.890 0.300 . 1 . . . . 81 ARG C . 10147 1 955 . 1 1 82 82 LYS N N 15 113.840 0.300 . 1 . . . . 82 LYS N . 10147 1 956 . 1 1 82 82 LYS H H 1 8.691 0.030 . 1 . . . . 82 LYS H . 10147 1 957 . 1 1 82 82 LYS CA C 13 56.216 0.300 . 1 . . . . 82 LYS CA . 10147 1 958 . 1 1 82 82 LYS HA H 1 4.441 0.030 . 1 . . . . 82 LYS HA . 10147 1 959 . 1 1 82 82 LYS CB C 13 32.964 0.300 . 1 . . . . 82 LYS CB . 10147 1 960 . 1 1 82 82 LYS HB2 H 1 1.723 0.030 . 2 . . . . 82 LYS HB2 . 10147 1 961 . 1 1 82 82 LYS HB3 H 1 1.818 0.030 . 2 . . . . 82 LYS HB3 . 10147 1 962 . 1 1 82 82 LYS CG C 13 24.374 0.300 . 1 . . . . 82 LYS CG . 10147 1 963 . 1 1 82 82 LYS HG2 H 1 1.128 0.030 . 2 . . . . 82 LYS HG2 . 10147 1 964 . 1 1 82 82 LYS HG3 H 1 1.009 0.030 . 2 . . . . 82 LYS HG3 . 10147 1 965 . 1 1 82 82 LYS CD C 13 28.064 0.300 . 1 . . . . 82 LYS CD . 10147 1 966 . 1 1 82 82 LYS HD2 H 1 1.519 0.030 . 1 . . . . 82 LYS HD2 . 10147 1 967 . 1 1 82 82 LYS HD3 H 1 1.519 0.030 . 1 . . . . 82 LYS HD3 . 10147 1 968 . 1 1 82 82 LYS CE C 13 42.088 0.300 . 1 . . . . 82 LYS CE . 10147 1 969 . 1 1 82 82 LYS HE2 H 1 2.939 0.030 . 2 . . . . 82 LYS HE2 . 10147 1 970 . 1 1 82 82 LYS HE3 H 1 2.900 0.030 . 2 . . . . 82 LYS HE3 . 10147 1 971 . 1 1 82 82 LYS C C 13 177.543 0.300 . 1 . . . . 82 LYS C . 10147 1 972 . 1 1 83 83 VAL N N 15 117.873 0.300 . 1 . . . . 83 VAL N . 10147 1 973 . 1 1 83 83 VAL H H 1 7.786 0.030 . 1 . . . . 83 VAL H . 10147 1 974 . 1 1 83 83 VAL CA C 13 64.939 0.300 . 1 . . . . 83 VAL CA . 10147 1 975 . 1 1 83 83 VAL HA H 1 4.235 0.030 . 1 . . . . 83 VAL HA . 10147 1 976 . 1 1 83 83 VAL CB C 13 34.046 0.300 . 1 . . . . 83 VAL CB . 10147 1 977 . 1 1 83 83 VAL HB H 1 2.420 0.030 . 1 . . . . 83 VAL HB . 10147 1 978 . 1 1 83 83 VAL CG1 C 13 23.008 0.300 . 2 . . . . 83 VAL CG1 . 10147 1 979 . 1 1 83 83 VAL HG11 H 1 0.906 0.030 . 1 . . . . 83 VAL HG1 . 10147 1 980 . 1 1 83 83 VAL HG12 H 1 0.906 0.030 . 1 . . . . 83 VAL HG1 . 10147 1 981 . 1 1 83 83 VAL HG13 H 1 0.906 0.030 . 1 . . . . 83 VAL HG1 . 10147 1 982 . 1 1 83 83 VAL CG2 C 13 21.650 0.300 . 2 . . . . 83 VAL CG2 . 10147 1 983 . 1 1 83 83 VAL HG21 H 1 1.201 0.030 . 1 . . . . 83 VAL HG2 . 10147 1 984 . 1 1 83 83 VAL HG22 H 1 1.201 0.030 . 1 . . . . 83 VAL HG2 . 10147 1 985 . 1 1 83 83 VAL HG23 H 1 1.201 0.030 . 1 . . . . 83 VAL HG2 . 10147 1 986 . 1 1 83 83 VAL C C 13 176.945 0.300 . 1 . . . . 83 VAL C . 10147 1 987 . 1 1 84 84 LEU N N 15 118.163 0.300 . 1 . . . . 84 LEU N . 10147 1 988 . 1 1 84 84 LEU H H 1 9.200 0.030 . 1 . . . . 84 LEU H . 10147 1 989 . 1 1 84 84 LEU CA C 13 58.824 0.300 . 1 . . . . 84 LEU CA . 10147 1 990 . 1 1 84 84 LEU HA H 1 3.898 0.030 . 1 . . . . 84 LEU HA . 10147 1 991 . 1 1 84 84 LEU CB C 13 38.418 0.300 . 1 . . . . 84 LEU CB . 10147 1 992 . 1 1 84 84 LEU HB2 H 1 2.367 0.030 . 2 . . . . 84 LEU HB2 . 10147 1 993 . 1 1 84 84 LEU HB3 H 1 1.680 0.030 . 2 . . . . 84 LEU HB3 . 10147 1 994 . 1 1 84 84 LEU CG C 13 27.215 0.300 . 1 . . . . 84 LEU CG . 10147 1 995 . 1 1 84 84 LEU HG H 1 1.709 0.030 . 1 . . . . 84 LEU HG . 10147 1 996 . 1 1 84 84 LEU CD1 C 13 25.138 0.300 . 2 . . . . 84 LEU CD1 . 10147 1 997 . 1 1 84 84 LEU HD11 H 1 1.211 0.030 . 1 . . . . 84 LEU HD1 . 10147 1 998 . 1 1 84 84 LEU HD12 H 1 1.211 0.030 . 1 . . . . 84 LEU HD1 . 10147 1 999 . 1 1 84 84 LEU HD13 H 1 1.211 0.030 . 1 . . . . 84 LEU HD1 . 10147 1 1000 . 1 1 84 84 LEU CD2 C 13 23.084 0.300 . 2 . . . . 84 LEU CD2 . 10147 1 1001 . 1 1 84 84 LEU HD21 H 1 0.771 0.030 . 1 . . . . 84 LEU HD2 . 10147 1 1002 . 1 1 84 84 LEU HD22 H 1 0.771 0.030 . 1 . . . . 84 LEU HD2 . 10147 1 1003 . 1 1 84 84 LEU HD23 H 1 0.771 0.030 . 1 . . . . 84 LEU HD2 . 10147 1 1004 . 1 1 84 84 LEU C C 13 179.874 0.300 . 1 . . . . 84 LEU C . 10147 1 1005 . 1 1 85 85 LYS N N 15 117.114 0.300 . 1 . . . . 85 LYS N . 10147 1 1006 . 1 1 85 85 LYS H H 1 7.303 0.030 . 1 . . . . 85 LYS H . 10147 1 1007 . 1 1 85 85 LYS CA C 13 59.436 0.300 . 1 . . . . 85 LYS CA . 10147 1 1008 . 1 1 85 85 LYS HA H 1 4.191 0.030 . 1 . . . . 85 LYS HA . 10147 1 1009 . 1 1 85 85 LYS CB C 13 33.096 0.300 . 1 . . . . 85 LYS CB . 10147 1 1010 . 1 1 85 85 LYS HB2 H 1 2.056 0.030 . 2 . . . . 85 LYS HB2 . 10147 1 1011 . 1 1 85 85 LYS HB3 H 1 1.582 0.030 . 2 . . . . 85 LYS HB3 . 10147 1 1012 . 1 1 85 85 LYS CG C 13 24.821 0.300 . 1 . . . . 85 LYS CG . 10147 1 1013 . 1 1 85 85 LYS HG2 H 1 1.489 0.030 . 2 . . . . 85 LYS HG2 . 10147 1 1014 . 1 1 85 85 LYS HG3 H 1 1.524 0.030 . 2 . . . . 85 LYS HG3 . 10147 1 1015 . 1 1 85 85 LYS CD C 13 29.082 0.300 . 1 . . . . 85 LYS CD . 10147 1 1016 . 1 1 85 85 LYS HD2 H 1 1.735 0.030 . 2 . . . . 85 LYS HD2 . 10147 1 1017 . 1 1 85 85 LYS HD3 H 1 1.789 0.030 . 2 . . . . 85 LYS HD3 . 10147 1 1018 . 1 1 85 85 LYS CE C 13 42.196 0.300 . 1 . . . . 85 LYS CE . 10147 1 1019 . 1 1 85 85 LYS HE2 H 1 3.020 0.030 . 1 . . . . 85 LYS HE2 . 10147 1 1020 . 1 1 85 85 LYS HE3 H 1 3.020 0.030 . 1 . . . . 85 LYS HE3 . 10147 1 1021 . 1 1 85 85 LYS C C 13 180.286 0.300 . 1 . . . . 85 LYS C . 10147 1 1022 . 1 1 86 86 ARG N N 15 117.181 0.300 . 1 . . . . 86 ARG N . 10147 1 1023 . 1 1 86 86 ARG H H 1 7.216 0.030 . 1 . . . . 86 ARG H . 10147 1 1024 . 1 1 86 86 ARG CA C 13 57.924 0.300 . 1 . . . . 86 ARG CA . 10147 1 1025 . 1 1 86 86 ARG HA H 1 4.191 0.030 . 1 . . . . 86 ARG HA . 10147 1 1026 . 1 1 86 86 ARG CB C 13 29.848 0.300 . 1 . . . . 86 ARG CB . 10147 1 1027 . 1 1 86 86 ARG HB2 H 1 2.028 0.030 . 1 . . . . 86 ARG HB2 . 10147 1 1028 . 1 1 86 86 ARG HB3 H 1 2.028 0.030 . 1 . . . . 86 ARG HB3 . 10147 1 1029 . 1 1 86 86 ARG CG C 13 27.496 0.300 . 1 . . . . 86 ARG CG . 10147 1 1030 . 1 1 86 86 ARG HG2 H 1 1.759 0.030 . 2 . . . . 86 ARG HG2 . 10147 1 1031 . 1 1 86 86 ARG HG3 H 1 1.670 0.030 . 2 . . . . 86 ARG HG3 . 10147 1 1032 . 1 1 86 86 ARG CD C 13 43.773 0.300 . 1 . . . . 86 ARG CD . 10147 1 1033 . 1 1 86 86 ARG HD2 H 1 3.348 0.030 . 2 . . . . 86 ARG HD2 . 10147 1 1034 . 1 1 86 86 ARG HD3 H 1 3.259 0.030 . 2 . . . . 86 ARG HD3 . 10147 1 1035 . 1 1 86 86 ARG C C 13 177.047 0.300 . 1 . . . . 86 ARG C . 10147 1 1036 . 1 1 87 87 LEU N N 15 118.282 0.300 . 1 . . . . 87 LEU N . 10147 1 1037 . 1 1 87 87 LEU H H 1 7.584 0.030 . 1 . . . . 87 LEU H . 10147 1 1038 . 1 1 87 87 LEU CA C 13 53.603 0.300 . 1 . . . . 87 LEU CA . 10147 1 1039 . 1 1 87 87 LEU HA H 1 4.339 0.030 . 1 . . . . 87 LEU HA . 10147 1 1040 . 1 1 87 87 LEU CB C 13 42.059 0.300 . 1 . . . . 87 LEU CB . 10147 1 1041 . 1 1 87 87 LEU HB2 H 1 1.865 0.030 . 2 . . . . 87 LEU HB2 . 10147 1 1042 . 1 1 87 87 LEU HB3 H 1 1.623 0.030 . 2 . . . . 87 LEU HB3 . 10147 1 1043 . 1 1 87 87 LEU CG C 13 26.327 0.300 . 1 . . . . 87 LEU CG . 10147 1 1044 . 1 1 87 87 LEU HG H 1 1.591 0.030 . 1 . . . . 87 LEU HG . 10147 1 1045 . 1 1 87 87 LEU CD1 C 13 26.545 0.300 . 2 . . . . 87 LEU CD1 . 10147 1 1046 . 1 1 87 87 LEU HD11 H 1 0.745 0.030 . 1 . . . . 87 LEU HD1 . 10147 1 1047 . 1 1 87 87 LEU HD12 H 1 0.745 0.030 . 1 . . . . 87 LEU HD1 . 10147 1 1048 . 1 1 87 87 LEU HD13 H 1 0.745 0.030 . 1 . . . . 87 LEU HD1 . 10147 1 1049 . 1 1 87 87 LEU CD2 C 13 22.975 0.300 . 2 . . . . 87 LEU CD2 . 10147 1 1050 . 1 1 87 87 LEU HD21 H 1 0.567 0.030 . 1 . . . . 87 LEU HD2 . 10147 1 1051 . 1 1 87 87 LEU HD22 H 1 0.567 0.030 . 1 . . . . 87 LEU HD2 . 10147 1 1052 . 1 1 87 87 LEU HD23 H 1 0.567 0.030 . 1 . . . . 87 LEU HD2 . 10147 1 1053 . 1 1 87 87 LEU C C 13 175.182 0.300 . 1 . . . . 87 LEU C . 10147 1 1054 . 1 1 88 88 ASN N N 15 115.016 0.300 . 1 . . . . 88 ASN N . 10147 1 1055 . 1 1 88 88 ASN H H 1 7.932 0.030 . 1 . . . . 88 ASN H . 10147 1 1056 . 1 1 88 88 ASN CA C 13 54.081 0.300 . 1 . . . . 88 ASN CA . 10147 1 1057 . 1 1 88 88 ASN HA H 1 4.384 0.030 . 1 . . . . 88 ASN HA . 10147 1 1058 . 1 1 88 88 ASN CB C 13 36.809 0.300 . 1 . . . . 88 ASN CB . 10147 1 1059 . 1 1 88 88 ASN HB2 H 1 3.145 0.030 . 2 . . . . 88 ASN HB2 . 10147 1 1060 . 1 1 88 88 ASN HB3 H 1 2.775 0.030 . 2 . . . . 88 ASN HB3 . 10147 1 1061 . 1 1 88 88 ASN ND2 N 15 111.951 0.300 . 1 . . . . 88 ASN ND2 . 10147 1 1062 . 1 1 88 88 ASN HD21 H 1 6.860 0.030 . 2 . . . . 88 ASN HD21 . 10147 1 1063 . 1 1 88 88 ASN HD22 H 1 7.528 0.030 . 2 . . . . 88 ASN HD22 . 10147 1 1064 . 1 1 88 88 ASN C C 13 173.426 0.300 . 1 . . . . 88 ASN C . 10147 1 1065 . 1 1 89 89 PHE N N 15 119.795 0.300 . 1 . . . . 89 PHE N . 10147 1 1066 . 1 1 89 89 PHE H H 1 7.739 0.030 . 1 . . . . 89 PHE H . 10147 1 1067 . 1 1 89 89 PHE CA C 13 56.231 0.300 . 1 . . . . 89 PHE CA . 10147 1 1068 . 1 1 89 89 PHE HA H 1 4.887 0.030 . 1 . . . . 89 PHE HA . 10147 1 1069 . 1 1 89 89 PHE CB C 13 43.188 0.300 . 1 . . . . 89 PHE CB . 10147 1 1070 . 1 1 89 89 PHE HB2 H 1 2.822 0.030 . 2 . . . . 89 PHE HB2 . 10147 1 1071 . 1 1 89 89 PHE HB3 H 1 2.689 0.030 . 2 . . . . 89 PHE HB3 . 10147 1 1072 . 1 1 89 89 PHE CD1 C 13 131.417 0.300 . 1 . . . . 89 PHE CD1 . 10147 1 1073 . 1 1 89 89 PHE HD1 H 1 7.147 0.030 . 1 . . . . 89 PHE HD1 . 10147 1 1074 . 1 1 89 89 PHE CD2 C 13 131.417 0.300 . 1 . . . . 89 PHE CD2 . 10147 1 1075 . 1 1 89 89 PHE HD2 H 1 7.147 0.030 . 1 . . . . 89 PHE HD2 . 10147 1 1076 . 1 1 89 89 PHE CE1 C 13 130.866 0.300 . 1 . . . . 89 PHE CE1 . 10147 1 1077 . 1 1 89 89 PHE HE1 H 1 7.187 0.030 . 1 . . . . 89 PHE HE1 . 10147 1 1078 . 1 1 89 89 PHE CE2 C 13 130.866 0.300 . 1 . . . . 89 PHE CE2 . 10147 1 1079 . 1 1 89 89 PHE HE2 H 1 7.187 0.030 . 1 . . . . 89 PHE HE2 . 10147 1 1080 . 1 1 89 89 PHE CZ C 13 129.798 0.300 . 1 . . . . 89 PHE CZ . 10147 1 1081 . 1 1 89 89 PHE HZ H 1 7.428 0.030 . 1 . . . . 89 PHE HZ . 10147 1 1082 . 1 1 89 89 PHE C C 13 172.386 0.300 . 1 . . . . 89 PHE C . 10147 1 1083 . 1 1 90 90 SER N N 15 117.020 0.300 . 1 . . . . 90 SER N . 10147 1 1084 . 1 1 90 90 SER H H 1 7.301 0.030 . 1 . . . . 90 SER H . 10147 1 1085 . 1 1 90 90 SER CA C 13 56.762 0.300 . 1 . . . . 90 SER CA . 10147 1 1086 . 1 1 90 90 SER HA H 1 4.667 0.030 . 1 . . . . 90 SER HA . 10147 1 1087 . 1 1 90 90 SER CB C 13 64.885 0.300 . 1 . . . . 90 SER CB . 10147 1 1088 . 1 1 90 90 SER HB2 H 1 3.553 0.030 . 1 . . . . 90 SER HB2 . 10147 1 1089 . 1 1 90 90 SER HB3 H 1 3.553 0.030 . 1 . . . . 90 SER HB3 . 10147 1 1090 . 1 1 90 90 SER C C 13 172.726 0.300 . 1 . . . . 90 SER C . 10147 1 1091 . 1 1 91 91 VAL N N 15 126.604 0.300 . 1 . . . . 91 VAL N . 10147 1 1092 . 1 1 91 91 VAL H H 1 8.959 0.030 . 1 . . . . 91 VAL H . 10147 1 1093 . 1 1 91 91 VAL CA C 13 59.173 0.300 . 1 . . . . 91 VAL CA . 10147 1 1094 . 1 1 91 91 VAL HA H 1 4.336 0.030 . 1 . . . . 91 VAL HA . 10147 1 1095 . 1 1 91 91 VAL CB C 13 33.703 0.300 . 1 . . . . 91 VAL CB . 10147 1 1096 . 1 1 91 91 VAL HB H 1 1.921 0.030 . 1 . . . . 91 VAL HB . 10147 1 1097 . 1 1 91 91 VAL CG1 C 13 21.846 0.300 . 2 . . . . 91 VAL CG1 . 10147 1 1098 . 1 1 91 91 VAL HG11 H 1 0.779 0.030 . 1 . . . . 91 VAL HG1 . 10147 1 1099 . 1 1 91 91 VAL HG12 H 1 0.779 0.030 . 1 . . . . 91 VAL HG1 . 10147 1 1100 . 1 1 91 91 VAL HG13 H 1 0.779 0.030 . 1 . . . . 91 VAL HG1 . 10147 1 1101 . 1 1 91 91 VAL CG2 C 13 22.245 0.300 . 2 . . . . 91 VAL CG2 . 10147 1 1102 . 1 1 91 91 VAL HG21 H 1 0.967 0.030 . 1 . . . . 91 VAL HG2 . 10147 1 1103 . 1 1 91 91 VAL HG22 H 1 0.967 0.030 . 1 . . . . 91 VAL HG2 . 10147 1 1104 . 1 1 91 91 VAL HG23 H 1 0.967 0.030 . 1 . . . . 91 VAL HG2 . 10147 1 1105 . 1 1 91 91 VAL C C 13 173.886 0.300 . 1 . . . . 91 VAL C . 10147 1 1106 . 1 1 92 92 PRO CA C 13 62.618 0.300 . 1 . . . . 92 PRO CA . 10147 1 1107 . 1 1 92 92 PRO HA H 1 4.481 0.030 . 1 . . . . 92 PRO HA . 10147 1 1108 . 1 1 92 92 PRO CB C 13 33.302 0.300 . 1 . . . . 92 PRO CB . 10147 1 1109 . 1 1 92 92 PRO HB2 H 1 1.976 0.030 . 2 . . . . 92 PRO HB2 . 10147 1 1110 . 1 1 92 92 PRO HB3 H 1 2.482 0.030 . 2 . . . . 92 PRO HB3 . 10147 1 1111 . 1 1 92 92 PRO CG C 13 27.686 0.300 . 1 . . . . 92 PRO CG . 10147 1 1112 . 1 1 92 92 PRO HG2 H 1 2.029 0.030 . 1 . . . . 92 PRO HG2 . 10147 1 1113 . 1 1 92 92 PRO HG3 H 1 2.029 0.030 . 1 . . . . 92 PRO HG3 . 10147 1 1114 . 1 1 92 92 PRO CD C 13 51.508 0.300 . 1 . . . . 92 PRO CD . 10147 1 1115 . 1 1 92 92 PRO HD2 H 1 3.388 0.030 . 2 . . . . 92 PRO HD2 . 10147 1 1116 . 1 1 92 92 PRO HD3 H 1 3.959 0.030 . 2 . . . . 92 PRO HD3 . 10147 1 1117 . 1 1 92 92 PRO C C 13 177.410 0.300 . 1 . . . . 92 PRO C . 10147 1 1118 . 1 1 93 93 ASP N N 15 123.319 0.300 . 1 . . . . 93 ASP N . 10147 1 1119 . 1 1 93 93 ASP H H 1 8.854 0.030 . 1 . . . . 93 ASP H . 10147 1 1120 . 1 1 93 93 ASP CA C 13 58.347 0.300 . 1 . . . . 93 ASP CA . 10147 1 1121 . 1 1 93 93 ASP HA H 1 4.298 0.030 . 1 . . . . 93 ASP HA . 10147 1 1122 . 1 1 93 93 ASP CB C 13 40.916 0.300 . 1 . . . . 93 ASP CB . 10147 1 1123 . 1 1 93 93 ASP HB2 H 1 2.646 0.030 . 1 . . . . 93 ASP HB2 . 10147 1 1124 . 1 1 93 93 ASP HB3 H 1 2.646 0.030 . 1 . . . . 93 ASP HB3 . 10147 1 1125 . 1 1 93 93 ASP C C 13 178.221 0.300 . 1 . . . . 93 ASP C . 10147 1 1126 . 1 1 94 94 ASP N N 15 116.740 0.300 . 1 . . . . 94 ASP N . 10147 1 1127 . 1 1 94 94 ASP H H 1 8.955 0.030 . 1 . . . . 94 ASP H . 10147 1 1128 . 1 1 94 94 ASP CA C 13 56.851 0.300 . 1 . . . . 94 ASP CA . 10147 1 1129 . 1 1 94 94 ASP HA H 1 4.222 0.030 . 1 . . . . 94 ASP HA . 10147 1 1130 . 1 1 94 94 ASP CB C 13 39.733 0.300 . 1 . . . . 94 ASP CB . 10147 1 1131 . 1 1 94 94 ASP HB2 H 1 2.558 0.030 . 2 . . . . 94 ASP HB2 . 10147 1 1132 . 1 1 94 94 ASP HB3 H 1 2.658 0.030 . 2 . . . . 94 ASP HB3 . 10147 1 1133 . 1 1 94 94 ASP C C 13 178.344 0.300 . 1 . . . . 94 ASP C . 10147 1 1134 . 1 1 95 95 VAL N N 15 121.559 0.300 . 1 . . . . 95 VAL N . 10147 1 1135 . 1 1 95 95 VAL H H 1 6.935 0.030 . 1 . . . . 95 VAL H . 10147 1 1136 . 1 1 95 95 VAL CA C 13 66.007 0.300 . 1 . . . . 95 VAL CA . 10147 1 1137 . 1 1 95 95 VAL HA H 1 3.378 0.030 . 1 . . . . 95 VAL HA . 10147 1 1138 . 1 1 95 95 VAL CB C 13 31.712 0.300 . 1 . . . . 95 VAL CB . 10147 1 1139 . 1 1 95 95 VAL HB H 1 1.877 0.030 . 1 . . . . 95 VAL HB . 10147 1 1140 . 1 1 95 95 VAL CG1 C 13 21.078 0.300 . 2 . . . . 95 VAL CG1 . 10147 1 1141 . 1 1 95 95 VAL HG11 H 1 0.617 0.030 . 1 . . . . 95 VAL HG1 . 10147 1 1142 . 1 1 95 95 VAL HG12 H 1 0.617 0.030 . 1 . . . . 95 VAL HG1 . 10147 1 1143 . 1 1 95 95 VAL HG13 H 1 0.617 0.030 . 1 . . . . 95 VAL HG1 . 10147 1 1144 . 1 1 95 95 VAL CG2 C 13 22.554 0.300 . 2 . . . . 95 VAL CG2 . 10147 1 1145 . 1 1 95 95 VAL HG21 H 1 0.927 0.030 . 1 . . . . 95 VAL HG2 . 10147 1 1146 . 1 1 95 95 VAL HG22 H 1 0.927 0.030 . 1 . . . . 95 VAL HG2 . 10147 1 1147 . 1 1 95 95 VAL HG23 H 1 0.927 0.030 . 1 . . . . 95 VAL HG2 . 10147 1 1148 . 1 1 95 95 VAL C C 13 177.153 0.300 . 1 . . . . 95 VAL C . 10147 1 1149 . 1 1 96 96 MET N N 15 118.492 0.300 . 1 . . . . 96 MET N . 10147 1 1150 . 1 1 96 96 MET H H 1 7.993 0.030 . 1 . . . . 96 MET H . 10147 1 1151 . 1 1 96 96 MET CA C 13 60.318 0.300 . 1 . . . . 96 MET CA . 10147 1 1152 . 1 1 96 96 MET HA H 1 3.037 0.030 . 1 . . . . 96 MET HA . 10147 1 1153 . 1 1 96 96 MET CB C 13 33.348 0.300 . 1 . . . . 96 MET CB . 10147 1 1154 . 1 1 96 96 MET HB2 H 1 2.101 0.030 . 2 . . . . 96 MET HB2 . 10147 1 1155 . 1 1 96 96 MET HB3 H 1 1.674 0.030 . 2 . . . . 96 MET HB3 . 10147 1 1156 . 1 1 96 96 MET CG C 13 32.508 0.300 . 1 . . . . 96 MET CG . 10147 1 1157 . 1 1 96 96 MET HG2 H 1 1.926 0.030 . 2 . . . . 96 MET HG2 . 10147 1 1158 . 1 1 96 96 MET HG3 H 1 2.313 0.030 . 2 . . . . 96 MET HG3 . 10147 1 1159 . 1 1 96 96 MET CE C 13 17.492 0.300 . 1 . . . . 96 MET CE . 10147 1 1160 . 1 1 96 96 MET HE1 H 1 2.213 0.030 . 1 . . . . 96 MET HE . 10147 1 1161 . 1 1 96 96 MET HE2 H 1 2.213 0.030 . 1 . . . . 96 MET HE . 10147 1 1162 . 1 1 96 96 MET HE3 H 1 2.213 0.030 . 1 . . . . 96 MET HE . 10147 1 1163 . 1 1 96 96 MET C C 13 176.993 0.300 . 1 . . . . 96 MET C . 10147 1 1164 . 1 1 97 97 ARG N N 15 116.593 0.300 . 1 . . . . 97 ARG N . 10147 1 1165 . 1 1 97 97 ARG H H 1 7.668 0.030 . 1 . . . . 97 ARG H . 10147 1 1166 . 1 1 97 97 ARG CA C 13 60.372 0.300 . 1 . . . . 97 ARG CA . 10147 1 1167 . 1 1 97 97 ARG HA H 1 3.772 0.030 . 1 . . . . 97 ARG HA . 10147 1 1168 . 1 1 97 97 ARG CB C 13 29.627 0.300 . 1 . . . . 97 ARG CB . 10147 1 1169 . 1 1 97 97 ARG HB2 H 1 1.835 0.030 . 1 . . . . 97 ARG HB2 . 10147 1 1170 . 1 1 97 97 ARG HB3 H 1 1.835 0.030 . 1 . . . . 97 ARG HB3 . 10147 1 1171 . 1 1 97 97 ARG CG C 13 28.721 0.300 . 1 . . . . 97 ARG CG . 10147 1 1172 . 1 1 97 97 ARG HG2 H 1 1.646 0.030 . 2 . . . . 97 ARG HG2 . 10147 1 1173 . 1 1 97 97 ARG HG3 H 1 1.517 0.030 . 2 . . . . 97 ARG HG3 . 10147 1 1174 . 1 1 97 97 ARG CD C 13 43.138 0.300 . 1 . . . . 97 ARG CD . 10147 1 1175 . 1 1 97 97 ARG HD2 H 1 3.151 0.030 . 2 . . . . 97 ARG HD2 . 10147 1 1176 . 1 1 97 97 ARG HD3 H 1 3.231 0.030 . 2 . . . . 97 ARG HD3 . 10147 1 1177 . 1 1 97 97 ARG C C 13 177.718 0.300 . 1 . . . . 97 ARG C . 10147 1 1178 . 1 1 98 98 LYS N N 15 118.000 0.300 . 1 . . . . 98 LYS N . 10147 1 1179 . 1 1 98 98 LYS H H 1 7.279 0.030 . 1 . . . . 98 LYS H . 10147 1 1180 . 1 1 98 98 LYS CA C 13 59.942 0.300 . 1 . . . . 98 LYS CA . 10147 1 1181 . 1 1 98 98 LYS HA H 1 4.035 0.030 . 1 . . . . 98 LYS HA . 10147 1 1182 . 1 1 98 98 LYS CB C 13 33.307 0.300 . 1 . . . . 98 LYS CB . 10147 1 1183 . 1 1 98 98 LYS HB2 H 1 1.950 0.030 . 2 . . . . 98 LYS HB2 . 10147 1 1184 . 1 1 98 98 LYS HB3 H 1 1.670 0.030 . 2 . . . . 98 LYS HB3 . 10147 1 1185 . 1 1 98 98 LYS CG C 13 26.315 0.300 . 1 . . . . 98 LYS CG . 10147 1 1186 . 1 1 98 98 LYS HG2 H 1 1.692 0.030 . 2 . . . . 98 LYS HG2 . 10147 1 1187 . 1 1 98 98 LYS HG3 H 1 1.422 0.030 . 2 . . . . 98 LYS HG3 . 10147 1 1188 . 1 1 98 98 LYS CD C 13 29.569 0.300 . 1 . . . . 98 LYS CD . 10147 1 1189 . 1 1 98 98 LYS HD2 H 1 1.643 0.030 . 2 . . . . 98 LYS HD2 . 10147 1 1190 . 1 1 98 98 LYS HD3 H 1 1.491 0.030 . 2 . . . . 98 LYS HD3 . 10147 1 1191 . 1 1 98 98 LYS CE C 13 42.188 0.300 . 1 . . . . 98 LYS CE . 10147 1 1192 . 1 1 98 98 LYS HE2 H 1 2.866 0.030 . 1 . . . . 98 LYS HE2 . 10147 1 1193 . 1 1 98 98 LYS HE3 H 1 2.866 0.030 . 1 . . . . 98 LYS HE3 . 10147 1 1194 . 1 1 98 98 LYS C C 13 178.861 0.300 . 1 . . . . 98 LYS C . 10147 1 1195 . 1 1 99 99 ILE N N 15 119.736 0.300 . 1 . . . . 99 ILE N . 10147 1 1196 . 1 1 99 99 ILE H H 1 8.298 0.030 . 1 . . . . 99 ILE H . 10147 1 1197 . 1 1 99 99 ILE CA C 13 65.451 0.300 . 1 . . . . 99 ILE CA . 10147 1 1198 . 1 1 99 99 ILE HA H 1 3.473 0.030 . 1 . . . . 99 ILE HA . 10147 1 1199 . 1 1 99 99 ILE CB C 13 38.088 0.300 . 1 . . . . 99 ILE CB . 10147 1 1200 . 1 1 99 99 ILE HB H 1 1.303 0.030 . 1 . . . . 99 ILE HB . 10147 1 1201 . 1 1 99 99 ILE CG1 C 13 29.394 0.300 . 1 . . . . 99 ILE CG1 . 10147 1 1202 . 1 1 99 99 ILE HG12 H 1 0.357 0.030 . 2 . . . . 99 ILE HG12 . 10147 1 1203 . 1 1 99 99 ILE HG13 H 1 1.669 0.030 . 2 . . . . 99 ILE HG13 . 10147 1 1204 . 1 1 99 99 ILE CG2 C 13 16.628 0.300 . 1 . . . . 99 ILE CG2 . 10147 1 1205 . 1 1 99 99 ILE HG21 H 1 0.988 0.030 . 1 . . . . 99 ILE HG2 . 10147 1 1206 . 1 1 99 99 ILE HG22 H 1 0.988 0.030 . 1 . . . . 99 ILE HG2 . 10147 1 1207 . 1 1 99 99 ILE HG23 H 1 0.988 0.030 . 1 . . . . 99 ILE HG2 . 10147 1 1208 . 1 1 99 99 ILE CD1 C 13 14.582 0.300 . 1 . . . . 99 ILE CD1 . 10147 1 1209 . 1 1 99 99 ILE HD11 H 1 0.197 0.030 . 1 . . . . 99 ILE HD1 . 10147 1 1210 . 1 1 99 99 ILE HD12 H 1 0.197 0.030 . 1 . . . . 99 ILE HD1 . 10147 1 1211 . 1 1 99 99 ILE HD13 H 1 0.197 0.030 . 1 . . . . 99 ILE HD1 . 10147 1 1212 . 1 1 99 99 ILE C C 13 181.472 0.300 . 1 . . . . 99 ILE C . 10147 1 1213 . 1 1 100 100 ALA N N 15 124.832 0.300 . 1 . . . . 100 ALA N . 10147 1 1214 . 1 1 100 100 ALA H H 1 8.473 0.030 . 1 . . . . 100 ALA H . 10147 1 1215 . 1 1 100 100 ALA CA C 13 54.623 0.300 . 1 . . . . 100 ALA CA . 10147 1 1216 . 1 1 100 100 ALA HA H 1 4.481 0.030 . 1 . . . . 100 ALA HA . 10147 1 1217 . 1 1 100 100 ALA CB C 13 19.106 0.300 . 1 . . . . 100 ALA CB . 10147 1 1218 . 1 1 100 100 ALA HB1 H 1 1.489 0.030 . 1 . . . . 100 ALA HB . 10147 1 1219 . 1 1 100 100 ALA HB2 H 1 1.489 0.030 . 1 . . . . 100 ALA HB . 10147 1 1220 . 1 1 100 100 ALA HB3 H 1 1.489 0.030 . 1 . . . . 100 ALA HB . 10147 1 1221 . 1 1 100 100 ALA C C 13 177.755 0.300 . 1 . . . . 100 ALA C . 10147 1 1222 . 1 1 101 101 GLN N N 15 113.891 0.300 . 1 . . . . 101 GLN N . 10147 1 1223 . 1 1 101 101 GLN H H 1 7.665 0.030 . 1 . . . . 101 GLN H . 10147 1 1224 . 1 1 101 101 GLN CA C 13 55.681 0.300 . 1 . . . . 101 GLN CA . 10147 1 1225 . 1 1 101 101 GLN HA H 1 4.378 0.030 . 1 . . . . 101 GLN HA . 10147 1 1226 . 1 1 101 101 GLN CB C 13 28.879 0.300 . 1 . . . . 101 GLN CB . 10147 1 1227 . 1 1 101 101 GLN HB2 H 1 2.294 0.030 . 2 . . . . 101 GLN HB2 . 10147 1 1228 . 1 1 101 101 GLN HB3 H 1 2.156 0.030 . 2 . . . . 101 GLN HB3 . 10147 1 1229 . 1 1 101 101 GLN CG C 13 34.958 0.300 . 1 . . . . 101 GLN CG . 10147 1 1230 . 1 1 101 101 GLN HG2 H 1 2.625 0.030 . 2 . . . . 101 GLN HG2 . 10147 1 1231 . 1 1 101 101 GLN HG3 H 1 2.387 0.030 . 2 . . . . 101 GLN HG3 . 10147 1 1232 . 1 1 101 101 GLN NE2 N 15 110.608 0.300 . 1 . . . . 101 GLN NE2 . 10147 1 1233 . 1 1 101 101 GLN HE21 H 1 7.149 0.030 . 2 . . . . 101 GLN HE21 . 10147 1 1234 . 1 1 101 101 GLN HE22 H 1 6.817 0.030 . 2 . . . . 101 GLN HE22 . 10147 1 1235 . 1 1 101 101 GLN C C 13 175.604 0.300 . 1 . . . . 101 GLN C . 10147 1 1236 . 1 1 102 102 CYS N N 15 114.274 0.300 . 1 . . . . 102 CYS N . 10147 1 1237 . 1 1 102 102 CYS H H 1 8.300 0.030 . 1 . . . . 102 CYS H . 10147 1 1238 . 1 1 102 102 CYS CA C 13 58.700 0.300 . 1 . . . . 102 CYS CA . 10147 1 1239 . 1 1 102 102 CYS HA H 1 4.030 0.030 . 1 . . . . 102 CYS HA . 10147 1 1240 . 1 1 102 102 CYS CB C 13 24.987 0.300 . 1 . . . . 102 CYS CB . 10147 1 1241 . 1 1 102 102 CYS HB2 H 1 3.493 0.030 . 2 . . . . 102 CYS HB2 . 10147 1 1242 . 1 1 102 102 CYS HB3 H 1 2.831 0.030 . 2 . . . . 102 CYS HB3 . 10147 1 1243 . 1 1 102 102 CYS C C 13 174.186 0.300 . 1 . . . . 102 CYS C . 10147 1 1244 . 1 1 103 103 ALA N N 15 123.512 0.300 . 1 . . . . 103 ALA N . 10147 1 1245 . 1 1 103 103 ALA H H 1 8.175 0.030 . 1 . . . . 103 ALA H . 10147 1 1246 . 1 1 103 103 ALA CA C 13 50.841 0.300 . 1 . . . . 103 ALA CA . 10147 1 1247 . 1 1 103 103 ALA HA H 1 4.458 0.030 . 1 . . . . 103 ALA HA . 10147 1 1248 . 1 1 103 103 ALA CB C 13 18.353 0.300 . 1 . . . . 103 ALA CB . 10147 1 1249 . 1 1 103 103 ALA HB1 H 1 1.273 0.030 . 1 . . . . 103 ALA HB . 10147 1 1250 . 1 1 103 103 ALA HB2 H 1 1.273 0.030 . 1 . . . . 103 ALA HB . 10147 1 1251 . 1 1 103 103 ALA HB3 H 1 1.273 0.030 . 1 . . . . 103 ALA HB . 10147 1 1252 . 1 1 103 103 ALA C C 13 175.904 0.300 . 1 . . . . 103 ALA C . 10147 1 1253 . 1 1 104 104 PRO CA C 13 64.290 0.300 . 1 . . . . 104 PRO CA . 10147 1 1254 . 1 1 104 104 PRO HA H 1 4.315 0.030 . 1 . . . . 104 PRO HA . 10147 1 1255 . 1 1 104 104 PRO CB C 13 32.028 0.300 . 1 . . . . 104 PRO CB . 10147 1 1256 . 1 1 104 104 PRO HB2 H 1 2.338 0.030 . 2 . . . . 104 PRO HB2 . 10147 1 1257 . 1 1 104 104 PRO HB3 H 1 1.965 0.030 . 2 . . . . 104 PRO HB3 . 10147 1 1258 . 1 1 104 104 PRO CG C 13 27.902 0.300 . 1 . . . . 104 PRO CG . 10147 1 1259 . 1 1 104 104 PRO HG2 H 1 2.160 0.030 . 2 . . . . 104 PRO HG2 . 10147 1 1260 . 1 1 104 104 PRO HG3 H 1 2.076 0.030 . 2 . . . . 104 PRO HG3 . 10147 1 1261 . 1 1 104 104 PRO CD C 13 50.974 0.300 . 1 . . . . 104 PRO CD . 10147 1 1262 . 1 1 104 104 PRO HD2 H 1 3.678 0.030 . 2 . . . . 104 PRO HD2 . 10147 1 1263 . 1 1 104 104 PRO HD3 H 1 4.097 0.030 . 2 . . . . 104 PRO HD3 . 10147 1 1264 . 1 1 104 104 PRO C C 13 178.173 0.300 . 1 . . . . 104 PRO C . 10147 1 1265 . 1 1 105 105 GLY N N 15 113.466 0.300 . 1 . . . . 105 GLY N . 10147 1 1266 . 1 1 105 105 GLY H H 1 9.036 0.030 . 1 . . . . 105 GLY H . 10147 1 1267 . 1 1 105 105 GLY CA C 13 45.935 0.300 . 1 . . . . 105 GLY CA . 10147 1 1268 . 1 1 105 105 GLY HA2 H 1 4.044 0.030 . 2 . . . . 105 GLY HA2 . 10147 1 1269 . 1 1 105 105 GLY HA3 H 1 3.832 0.030 . 2 . . . . 105 GLY HA3 . 10147 1 1270 . 1 1 105 105 GLY C C 13 174.928 0.300 . 1 . . . . 105 GLY C . 10147 1 1271 . 1 1 106 106 VAL N N 15 117.991 0.300 . 1 . . . . 106 VAL N . 10147 1 1272 . 1 1 106 106 VAL H H 1 6.964 0.030 . 1 . . . . 106 VAL H . 10147 1 1273 . 1 1 106 106 VAL CA C 13 66.071 0.300 . 1 . . . . 106 VAL CA . 10147 1 1274 . 1 1 106 106 VAL HA H 1 3.842 0.030 . 1 . . . . 106 VAL HA . 10147 1 1275 . 1 1 106 106 VAL CB C 13 31.337 0.300 . 1 . . . . 106 VAL CB . 10147 1 1276 . 1 1 106 106 VAL HB H 1 1.800 0.030 . 1 . . . . 106 VAL HB . 10147 1 1277 . 1 1 106 106 VAL CG1 C 13 22.771 0.300 . 2 . . . . 106 VAL CG1 . 10147 1 1278 . 1 1 106 106 VAL HG11 H 1 0.847 0.030 . 1 . . . . 106 VAL HG1 . 10147 1 1279 . 1 1 106 106 VAL HG12 H 1 0.847 0.030 . 1 . . . . 106 VAL HG1 . 10147 1 1280 . 1 1 106 106 VAL HG13 H 1 0.847 0.030 . 1 . . . . 106 VAL HG1 . 10147 1 1281 . 1 1 106 106 VAL CG2 C 13 23.275 0.300 . 2 . . . . 106 VAL CG2 . 10147 1 1282 . 1 1 106 106 VAL HG21 H 1 0.789 0.030 . 1 . . . . 106 VAL HG2 . 10147 1 1283 . 1 1 106 106 VAL HG22 H 1 0.789 0.030 . 1 . . . . 106 VAL HG2 . 10147 1 1284 . 1 1 106 106 VAL HG23 H 1 0.789 0.030 . 1 . . . . 106 VAL HG2 . 10147 1 1285 . 1 1 106 106 VAL C C 13 178.061 0.300 . 1 . . . . 106 VAL C . 10147 1 1286 . 1 1 107 107 VAL N N 15 121.474 0.300 . 1 . . . . 107 VAL N . 10147 1 1287 . 1 1 107 107 VAL H H 1 9.039 0.030 . 1 . . . . 107 VAL H . 10147 1 1288 . 1 1 107 107 VAL CA C 13 65.971 0.300 . 1 . . . . 107 VAL CA . 10147 1 1289 . 1 1 107 107 VAL HA H 1 3.743 0.030 . 1 . . . . 107 VAL HA . 10147 1 1290 . 1 1 107 107 VAL CB C 13 30.959 0.300 . 1 . . . . 107 VAL CB . 10147 1 1291 . 1 1 107 107 VAL HB H 1 2.240 0.030 . 1 . . . . 107 VAL HB . 10147 1 1292 . 1 1 107 107 VAL CG1 C 13 20.114 0.300 . 2 . . . . 107 VAL CG1 . 10147 1 1293 . 1 1 107 107 VAL HG11 H 1 0.844 0.030 . 1 . . . . 107 VAL HG1 . 10147 1 1294 . 1 1 107 107 VAL HG12 H 1 0.844 0.030 . 1 . . . . 107 VAL HG1 . 10147 1 1295 . 1 1 107 107 VAL HG13 H 1 0.844 0.030 . 1 . . . . 107 VAL HG1 . 10147 1 1296 . 1 1 107 107 VAL CG2 C 13 22.776 0.300 . 2 . . . . 107 VAL CG2 . 10147 1 1297 . 1 1 107 107 VAL HG21 H 1 1.123 0.030 . 1 . . . . 107 VAL HG2 . 10147 1 1298 . 1 1 107 107 VAL HG22 H 1 1.123 0.030 . 1 . . . . 107 VAL HG2 . 10147 1 1299 . 1 1 107 107 VAL HG23 H 1 1.123 0.030 . 1 . . . . 107 VAL HG2 . 10147 1 1300 . 1 1 107 107 VAL C C 13 177.629 0.300 . 1 . . . . 107 VAL C . 10147 1 1301 . 1 1 108 108 GLU N N 15 126.242 0.300 . 1 . . . . 108 GLU N . 10147 1 1302 . 1 1 108 108 GLU H H 1 11.107 0.030 . 1 . . . . 108 GLU H . 10147 1 1303 . 1 1 108 108 GLU CA C 13 62.429 0.300 . 1 . . . . 108 GLU CA . 10147 1 1304 . 1 1 108 108 GLU HA H 1 3.584 0.030 . 1 . . . . 108 GLU HA . 10147 1 1305 . 1 1 108 108 GLU CB C 13 28.863 0.300 . 1 . . . . 108 GLU CB . 10147 1 1306 . 1 1 108 108 GLU HB2 H 1 1.902 0.030 . 2 . . . . 108 GLU HB2 . 10147 1 1307 . 1 1 108 108 GLU HB3 H 1 1.597 0.030 . 2 . . . . 108 GLU HB3 . 10147 1 1308 . 1 1 108 108 GLU CG C 13 38.584 0.300 . 1 . . . . 108 GLU CG . 10147 1 1309 . 1 1 108 108 GLU HG2 H 1 2.450 0.030 . 2 . . . . 108 GLU HG2 . 10147 1 1310 . 1 1 108 108 GLU HG3 H 1 1.953 0.030 . 2 . . . . 108 GLU HG3 . 10147 1 1311 . 1 1 108 108 GLU C C 13 176.878 0.300 . 1 . . . . 108 GLU C . 10147 1 1312 . 1 1 109 109 LEU N N 15 114.111 0.300 . 1 . . . . 109 LEU N . 10147 1 1313 . 1 1 109 109 LEU H H 1 7.474 0.030 . 1 . . . . 109 LEU H . 10147 1 1314 . 1 1 109 109 LEU CA C 13 56.293 0.300 . 1 . . . . 109 LEU CA . 10147 1 1315 . 1 1 109 109 LEU HA H 1 4.024 0.030 . 1 . . . . 109 LEU HA . 10147 1 1316 . 1 1 109 109 LEU CB C 13 40.846 0.300 . 1 . . . . 109 LEU CB . 10147 1 1317 . 1 1 109 109 LEU HB2 H 1 2.096 0.030 . 2 . . . . 109 LEU HB2 . 10147 1 1318 . 1 1 109 109 LEU HB3 H 1 1.590 0.030 . 2 . . . . 109 LEU HB3 . 10147 1 1319 . 1 1 109 109 LEU CG C 13 26.488 0.300 . 1 . . . . 109 LEU CG . 10147 1 1320 . 1 1 109 109 LEU HG H 1 1.968 0.030 . 1 . . . . 109 LEU HG . 10147 1 1321 . 1 1 109 109 LEU CD1 C 13 25.496 0.300 . 2 . . . . 109 LEU CD1 . 10147 1 1322 . 1 1 109 109 LEU HD11 H 1 0.924 0.030 . 1 . . . . 109 LEU HD1 . 10147 1 1323 . 1 1 109 109 LEU HD12 H 1 0.924 0.030 . 1 . . . . 109 LEU HD1 . 10147 1 1324 . 1 1 109 109 LEU HD13 H 1 0.924 0.030 . 1 . . . . 109 LEU HD1 . 10147 1 1325 . 1 1 109 109 LEU CD2 C 13 22.002 0.300 . 2 . . . . 109 LEU CD2 . 10147 1 1326 . 1 1 109 109 LEU HD21 H 1 0.754 0.030 . 1 . . . . 109 LEU HD2 . 10147 1 1327 . 1 1 109 109 LEU HD22 H 1 0.754 0.030 . 1 . . . . 109 LEU HD2 . 10147 1 1328 . 1 1 109 109 LEU HD23 H 1 0.754 0.030 . 1 . . . . 109 LEU HD2 . 10147 1 1329 . 1 1 109 109 LEU C C 13 178.647 0.300 . 1 . . . . 109 LEU C . 10147 1 1330 . 1 1 110 110 VAL N N 15 116.984 0.300 . 1 . . . . 110 VAL N . 10147 1 1331 . 1 1 110 110 VAL H H 1 7.557 0.030 . 1 . . . . 110 VAL H . 10147 1 1332 . 1 1 110 110 VAL CA C 13 64.274 0.300 . 1 . . . . 110 VAL CA . 10147 1 1333 . 1 1 110 110 VAL HA H 1 4.206 0.030 . 1 . . . . 110 VAL HA . 10147 1 1334 . 1 1 110 110 VAL CB C 13 33.070 0.300 . 1 . . . . 110 VAL CB . 10147 1 1335 . 1 1 110 110 VAL HB H 1 2.325 0.030 . 1 . . . . 110 VAL HB . 10147 1 1336 . 1 1 110 110 VAL CG1 C 13 20.899 0.300 . 2 . . . . 110 VAL CG1 . 10147 1 1337 . 1 1 110 110 VAL HG11 H 1 1.126 0.030 . 1 . . . . 110 VAL HG1 . 10147 1 1338 . 1 1 110 110 VAL HG12 H 1 1.126 0.030 . 1 . . . . 110 VAL HG1 . 10147 1 1339 . 1 1 110 110 VAL HG13 H 1 1.126 0.030 . 1 . . . . 110 VAL HG1 . 10147 1 1340 . 1 1 110 110 VAL CG2 C 13 23.492 0.300 . 2 . . . . 110 VAL CG2 . 10147 1 1341 . 1 1 110 110 VAL HG21 H 1 1.010 0.030 . 1 . . . . 110 VAL HG2 . 10147 1 1342 . 1 1 110 110 VAL HG22 H 1 1.010 0.030 . 1 . . . . 110 VAL HG2 . 10147 1 1343 . 1 1 110 110 VAL HG23 H 1 1.010 0.030 . 1 . . . . 110 VAL HG2 . 10147 1 1344 . 1 1 110 110 VAL C C 13 176.435 0.300 . 1 . . . . 110 VAL C . 10147 1 1345 . 1 1 111 111 LEU N N 15 118.461 0.300 . 1 . . . . 111 LEU N . 10147 1 1346 . 1 1 111 111 LEU H H 1 8.453 0.030 . 1 . . . . 111 LEU H . 10147 1 1347 . 1 1 111 111 LEU CA C 13 58.047 0.300 . 1 . . . . 111 LEU CA . 10147 1 1348 . 1 1 111 111 LEU HA H 1 4.003 0.030 . 1 . . . . 111 LEU HA . 10147 1 1349 . 1 1 111 111 LEU CB C 13 43.552 0.300 . 1 . . . . 111 LEU CB . 10147 1 1350 . 1 1 111 111 LEU HB2 H 1 1.845 0.030 . 2 . . . . 111 LEU HB2 . 10147 1 1351 . 1 1 111 111 LEU HB3 H 1 1.492 0.030 . 2 . . . . 111 LEU HB3 . 10147 1 1352 . 1 1 111 111 LEU CG C 13 26.650 0.300 . 1 . . . . 111 LEU CG . 10147 1 1353 . 1 1 111 111 LEU HG H 1 1.873 0.030 . 1 . . . . 111 LEU HG . 10147 1 1354 . 1 1 111 111 LEU CD1 C 13 21.828 0.300 . 2 . . . . 111 LEU CD1 . 10147 1 1355 . 1 1 111 111 LEU HD11 H 1 0.829 0.030 . 1 . . . . 111 LEU HD1 . 10147 1 1356 . 1 1 111 111 LEU HD12 H 1 0.829 0.030 . 1 . . . . 111 LEU HD1 . 10147 1 1357 . 1 1 111 111 LEU HD13 H 1 0.829 0.030 . 1 . . . . 111 LEU HD1 . 10147 1 1358 . 1 1 111 111 LEU CD2 C 13 25.530 0.300 . 2 . . . . 111 LEU CD2 . 10147 1 1359 . 1 1 111 111 LEU HD21 H 1 0.337 0.030 . 1 . . . . 111 LEU HD2 . 10147 1 1360 . 1 1 111 111 LEU HD22 H 1 0.337 0.030 . 1 . . . . 111 LEU HD2 . 10147 1 1361 . 1 1 111 111 LEU HD23 H 1 0.337 0.030 . 1 . . . . 111 LEU HD2 . 10147 1 1362 . 1 1 111 111 LEU C C 13 177.274 0.300 . 1 . . . . 111 LEU C . 10147 1 1363 . 1 1 112 112 ILE N N 15 115.835 0.300 . 1 . . . . 112 ILE N . 10147 1 1364 . 1 1 112 112 ILE H H 1 7.850 0.030 . 1 . . . . 112 ILE H . 10147 1 1365 . 1 1 112 112 ILE CA C 13 67.843 0.300 . 1 . . . . 112 ILE CA . 10147 1 1366 . 1 1 112 112 ILE HA H 1 3.636 0.030 . 1 . . . . 112 ILE HA . 10147 1 1367 . 1 1 112 112 ILE CB C 13 36.504 0.300 . 1 . . . . 112 ILE CB . 10147 1 1368 . 1 1 112 112 ILE HB H 1 1.837 0.030 . 1 . . . . 112 ILE HB . 10147 1 1369 . 1 1 112 112 ILE CG1 C 13 31.428 0.300 . 1 . . . . 112 ILE CG1 . 10147 1 1370 . 1 1 112 112 ILE HG12 H 1 1.013 0.030 . 2 . . . . 112 ILE HG12 . 10147 1 1371 . 1 1 112 112 ILE HG13 H 1 1.860 0.030 . 2 . . . . 112 ILE HG13 . 10147 1 1372 . 1 1 112 112 ILE CG2 C 13 16.395 0.300 . 1 . . . . 112 ILE CG2 . 10147 1 1373 . 1 1 112 112 ILE HG21 H 1 0.819 0.030 . 1 . . . . 112 ILE HG2 . 10147 1 1374 . 1 1 112 112 ILE HG22 H 1 0.819 0.030 . 1 . . . . 112 ILE HG2 . 10147 1 1375 . 1 1 112 112 ILE HG23 H 1 0.819 0.030 . 1 . . . . 112 ILE HG2 . 10147 1 1376 . 1 1 112 112 ILE CD1 C 13 13.790 0.300 . 1 . . . . 112 ILE CD1 . 10147 1 1377 . 1 1 112 112 ILE HD11 H 1 0.736 0.030 . 1 . . . . 112 ILE HD1 . 10147 1 1378 . 1 1 112 112 ILE HD12 H 1 0.736 0.030 . 1 . . . . 112 ILE HD1 . 10147 1 1379 . 1 1 112 112 ILE HD13 H 1 0.736 0.030 . 1 . . . . 112 ILE HD1 . 10147 1 1380 . 1 1 112 112 ILE C C 13 176.487 0.300 . 1 . . . . 112 ILE C . 10147 1 1381 . 1 1 113 113 PRO CA C 13 64.872 0.300 . 1 . . . . 113 PRO CA . 10147 1 1382 . 1 1 113 113 PRO HA H 1 4.420 0.030 . 1 . . . . 113 PRO HA . 10147 1 1383 . 1 1 113 113 PRO CB C 13 30.348 0.300 . 1 . . . . 113 PRO CB . 10147 1 1384 . 1 1 113 113 PRO HB2 H 1 2.244 0.030 . 2 . . . . 113 PRO HB2 . 10147 1 1385 . 1 1 113 113 PRO HB3 H 1 1.744 0.030 . 2 . . . . 113 PRO HB3 . 10147 1 1386 . 1 1 113 113 PRO CG C 13 28.232 0.300 . 1 . . . . 113 PRO CG . 10147 1 1387 . 1 1 113 113 PRO HG2 H 1 2.183 0.030 . 2 . . . . 113 PRO HG2 . 10147 1 1388 . 1 1 113 113 PRO HG3 H 1 2.395 0.030 . 2 . . . . 113 PRO HG3 . 10147 1 1389 . 1 1 113 113 PRO CD C 13 50.069 0.300 . 1 . . . . 113 PRO CD . 10147 1 1390 . 1 1 113 113 PRO HD2 H 1 3.267 0.030 . 2 . . . . 113 PRO HD2 . 10147 1 1391 . 1 1 113 113 PRO HD3 H 1 3.599 0.030 . 2 . . . . 113 PRO HD3 . 10147 1 1392 . 1 1 113 113 PRO C C 13 179.001 0.300 . 1 . . . . 113 PRO C . 10147 1 1393 . 1 1 114 114 LEU N N 15 120.690 0.300 . 1 . . . . 114 LEU N . 10147 1 1394 . 1 1 114 114 LEU H H 1 7.672 0.030 . 1 . . . . 114 LEU H . 10147 1 1395 . 1 1 114 114 LEU CA C 13 58.337 0.300 . 1 . . . . 114 LEU CA . 10147 1 1396 . 1 1 114 114 LEU HA H 1 3.490 0.030 . 1 . . . . 114 LEU HA . 10147 1 1397 . 1 1 114 114 LEU CB C 13 41.840 0.300 . 1 . . . . 114 LEU CB . 10147 1 1398 . 1 1 114 114 LEU HB2 H 1 1.924 0.030 . 2 . . . . 114 LEU HB2 . 10147 1 1399 . 1 1 114 114 LEU HB3 H 1 1.354 0.030 . 2 . . . . 114 LEU HB3 . 10147 1 1400 . 1 1 114 114 LEU CG C 13 26.576 0.300 . 1 . . . . 114 LEU CG . 10147 1 1401 . 1 1 114 114 LEU HG H 1 1.440 0.030 . 1 . . . . 114 LEU HG . 10147 1 1402 . 1 1 114 114 LEU CD1 C 13 22.586 0.300 . 2 . . . . 114 LEU CD1 . 10147 1 1403 . 1 1 114 114 LEU HD11 H 1 0.509 0.030 . 1 . . . . 114 LEU HD1 . 10147 1 1404 . 1 1 114 114 LEU HD12 H 1 0.509 0.030 . 1 . . . . 114 LEU HD1 . 10147 1 1405 . 1 1 114 114 LEU HD13 H 1 0.509 0.030 . 1 . . . . 114 LEU HD1 . 10147 1 1406 . 1 1 114 114 LEU CD2 C 13 26.160 0.300 . 2 . . . . 114 LEU CD2 . 10147 1 1407 . 1 1 114 114 LEU HD21 H 1 0.831 0.030 . 1 . . . . 114 LEU HD2 . 10147 1 1408 . 1 1 114 114 LEU HD22 H 1 0.831 0.030 . 1 . . . . 114 LEU HD2 . 10147 1 1409 . 1 1 114 114 LEU HD23 H 1 0.831 0.030 . 1 . . . . 114 LEU HD2 . 10147 1 1410 . 1 1 114 114 LEU C C 13 177.486 0.300 . 1 . . . . 114 LEU C . 10147 1 1411 . 1 1 115 115 ARG N N 15 119.039 0.300 . 1 . . . . 115 ARG N . 10147 1 1412 . 1 1 115 115 ARG H H 1 8.159 0.030 . 1 . . . . 115 ARG H . 10147 1 1413 . 1 1 115 115 ARG CA C 13 60.199 0.300 . 1 . . . . 115 ARG CA . 10147 1 1414 . 1 1 115 115 ARG HA H 1 3.215 0.030 . 1 . . . . 115 ARG HA . 10147 1 1415 . 1 1 115 115 ARG CB C 13 28.049 0.300 . 1 . . . . 115 ARG CB . 10147 1 1416 . 1 1 115 115 ARG HB2 H 1 1.188 0.030 . 2 . . . . 115 ARG HB2 . 10147 1 1417 . 1 1 115 115 ARG HB3 H 1 0.125 0.030 . 2 . . . . 115 ARG HB3 . 10147 1 1418 . 1 1 115 115 ARG CG C 13 26.058 0.300 . 1 . . . . 115 ARG CG . 10147 1 1419 . 1 1 115 115 ARG HG2 H 1 0.624 0.030 . 2 . . . . 115 ARG HG2 . 10147 1 1420 . 1 1 115 115 ARG HG3 H 1 -0.003 0.030 . 2 . . . . 115 ARG HG3 . 10147 1 1421 . 1 1 115 115 ARG CD C 13 43.117 0.300 . 1 . . . . 115 ARG CD . 10147 1 1422 . 1 1 115 115 ARG HD2 H 1 1.360 0.030 . 2 . . . . 115 ARG HD2 . 10147 1 1423 . 1 1 115 115 ARG HD3 H 1 2.368 0.030 . 2 . . . . 115 ARG HD3 . 10147 1 1424 . 1 1 115 115 ARG NE N 15 86.197 0.300 . 1 . . . . 115 ARG NE . 10147 1 1425 . 1 1 115 115 ARG HE H 1 6.663 0.030 . 1 . . . . 115 ARG HE . 10147 1 1426 . 1 1 115 115 ARG C C 13 177.460 0.300 . 1 . . . . 115 ARG C . 10147 1 1427 . 1 1 116 116 GLN N N 15 115.221 0.300 . 1 . . . . 116 GLN N . 10147 1 1428 . 1 1 116 116 GLN H H 1 6.825 0.030 . 1 . . . . 116 GLN H . 10147 1 1429 . 1 1 116 116 GLN CA C 13 58.838 0.300 . 1 . . . . 116 GLN CA . 10147 1 1430 . 1 1 116 116 GLN HA H 1 3.830 0.030 . 1 . . . . 116 GLN HA . 10147 1 1431 . 1 1 116 116 GLN CB C 13 27.871 0.300 . 1 . . . . 116 GLN CB . 10147 1 1432 . 1 1 116 116 GLN HB2 H 1 2.065 0.030 . 2 . . . . 116 GLN HB2 . 10147 1 1433 . 1 1 116 116 GLN HB3 H 1 2.106 0.030 . 2 . . . . 116 GLN HB3 . 10147 1 1434 . 1 1 116 116 GLN CG C 13 33.508 0.300 . 1 . . . . 116 GLN CG . 10147 1 1435 . 1 1 116 116 GLN HG2 H 1 2.293 0.030 . 2 . . . . 116 GLN HG2 . 10147 1 1436 . 1 1 116 116 GLN HG3 H 1 2.400 0.030 . 2 . . . . 116 GLN HG3 . 10147 1 1437 . 1 1 116 116 GLN NE2 N 15 111.885 0.300 . 1 . . . . 116 GLN NE2 . 10147 1 1438 . 1 1 116 116 GLN HE21 H 1 7.439 0.030 . 2 . . . . 116 GLN HE21 . 10147 1 1439 . 1 1 116 116 GLN HE22 H 1 6.780 0.030 . 2 . . . . 116 GLN HE22 . 10147 1 1440 . 1 1 116 116 GLN C C 13 178.648 0.300 . 1 . . . . 116 GLN C . 10147 1 1441 . 1 1 117 117 ARG N N 15 118.476 0.300 . 1 . . . . 117 ARG N . 10147 1 1442 . 1 1 117 117 ARG H H 1 8.028 0.030 . 1 . . . . 117 ARG H . 10147 1 1443 . 1 1 117 117 ARG CA C 13 57.607 0.300 . 1 . . . . 117 ARG CA . 10147 1 1444 . 1 1 117 117 ARG HA H 1 4.117 0.030 . 1 . . . . 117 ARG HA . 10147 1 1445 . 1 1 117 117 ARG CB C 13 30.040 0.300 . 1 . . . . 117 ARG CB . 10147 1 1446 . 1 1 117 117 ARG HB2 H 1 1.992 0.030 . 2 . . . . 117 ARG HB2 . 10147 1 1447 . 1 1 117 117 ARG HB3 H 1 1.910 0.030 . 2 . . . . 117 ARG HB3 . 10147 1 1448 . 1 1 117 117 ARG CG C 13 26.553 0.300 . 1 . . . . 117 ARG CG . 10147 1 1449 . 1 1 117 117 ARG HG2 H 1 1.434 0.030 . 2 . . . . 117 ARG HG2 . 10147 1 1450 . 1 1 117 117 ARG HG3 H 1 1.935 0.030 . 2 . . . . 117 ARG HG3 . 10147 1 1451 . 1 1 117 117 ARG CD C 13 41.942 0.300 . 1 . . . . 117 ARG CD . 10147 1 1452 . 1 1 117 117 ARG HD2 H 1 3.234 0.030 . 2 . . . . 117 ARG HD2 . 10147 1 1453 . 1 1 117 117 ARG HD3 H 1 3.405 0.030 . 2 . . . . 117 ARG HD3 . 10147 1 1454 . 1 1 117 117 ARG C C 13 179.370 0.300 . 1 . . . . 117 ARG C . 10147 1 1455 . 1 1 118 118 LEU N N 15 120.407 0.300 . 1 . . . . 118 LEU N . 10147 1 1456 . 1 1 118 118 LEU H H 1 8.533 0.030 . 1 . . . . 118 LEU H . 10147 1 1457 . 1 1 118 118 LEU CA C 13 58.295 0.300 . 1 . . . . 118 LEU CA . 10147 1 1458 . 1 1 118 118 LEU HA H 1 3.950 0.030 . 1 . . . . 118 LEU HA . 10147 1 1459 . 1 1 118 118 LEU CB C 13 40.472 0.300 . 1 . . . . 118 LEU CB . 10147 1 1460 . 1 1 118 118 LEU HB2 H 1 0.546 0.030 . 2 . . . . 118 LEU HB2 . 10147 1 1461 . 1 1 118 118 LEU HB3 H 1 1.581 0.030 . 2 . . . . 118 LEU HB3 . 10147 1 1462 . 1 1 118 118 LEU CG C 13 26.399 0.300 . 1 . . . . 118 LEU CG . 10147 1 1463 . 1 1 118 118 LEU HG H 1 1.784 0.030 . 1 . . . . 118 LEU HG . 10147 1 1464 . 1 1 118 118 LEU CD1 C 13 26.517 0.300 . 2 . . . . 118 LEU CD1 . 10147 1 1465 . 1 1 118 118 LEU HD11 H 1 0.750 0.030 . 1 . . . . 118 LEU HD1 . 10147 1 1466 . 1 1 118 118 LEU HD12 H 1 0.750 0.030 . 1 . . . . 118 LEU HD1 . 10147 1 1467 . 1 1 118 118 LEU HD13 H 1 0.750 0.030 . 1 . . . . 118 LEU HD1 . 10147 1 1468 . 1 1 118 118 LEU CD2 C 13 24.361 0.300 . 2 . . . . 118 LEU CD2 . 10147 1 1469 . 1 1 118 118 LEU HD21 H 1 0.992 0.030 . 1 . . . . 118 LEU HD2 . 10147 1 1470 . 1 1 118 118 LEU HD22 H 1 0.992 0.030 . 1 . . . . 118 LEU HD2 . 10147 1 1471 . 1 1 118 118 LEU HD23 H 1 0.992 0.030 . 1 . . . . 118 LEU HD2 . 10147 1 1472 . 1 1 118 118 LEU C C 13 178.577 0.300 . 1 . . . . 118 LEU C . 10147 1 1473 . 1 1 119 119 GLU N N 15 116.858 0.300 . 1 . . . . 119 GLU N . 10147 1 1474 . 1 1 119 119 GLU H H 1 8.220 0.030 . 1 . . . . 119 GLU H . 10147 1 1475 . 1 1 119 119 GLU CA C 13 59.441 0.300 . 1 . . . . 119 GLU CA . 10147 1 1476 . 1 1 119 119 GLU HA H 1 4.047 0.030 . 1 . . . . 119 GLU HA . 10147 1 1477 . 1 1 119 119 GLU CB C 13 29.271 0.300 . 1 . . . . 119 GLU CB . 10147 1 1478 . 1 1 119 119 GLU HB2 H 1 2.021 0.030 . 1 . . . . 119 GLU HB2 . 10147 1 1479 . 1 1 119 119 GLU HB3 H 1 2.021 0.030 . 1 . . . . 119 GLU HB3 . 10147 1 1480 . 1 1 119 119 GLU CG C 13 37.570 0.300 . 1 . . . . 119 GLU CG . 10147 1 1481 . 1 1 119 119 GLU HG2 H 1 2.303 0.030 . 2 . . . . 119 GLU HG2 . 10147 1 1482 . 1 1 119 119 GLU HG3 H 1 2.411 0.030 . 2 . . . . 119 GLU HG3 . 10147 1 1483 . 1 1 119 119 GLU C C 13 179.631 0.300 . 1 . . . . 119 GLU C . 10147 1 1484 . 1 1 120 120 GLU N N 15 119.797 0.300 . 1 . . . . 120 GLU N . 10147 1 1485 . 1 1 120 120 GLU H H 1 8.199 0.030 . 1 . . . . 120 GLU H . 10147 1 1486 . 1 1 120 120 GLU CA C 13 59.223 0.300 . 1 . . . . 120 GLU CA . 10147 1 1487 . 1 1 120 120 GLU HA H 1 4.062 0.030 . 1 . . . . 120 GLU HA . 10147 1 1488 . 1 1 120 120 GLU CB C 13 29.562 0.300 . 1 . . . . 120 GLU CB . 10147 1 1489 . 1 1 120 120 GLU HB2 H 1 2.226 0.030 . 2 . . . . 120 GLU HB2 . 10147 1 1490 . 1 1 120 120 GLU HB3 H 1 2.086 0.030 . 2 . . . . 120 GLU HB3 . 10147 1 1491 . 1 1 120 120 GLU CG C 13 36.269 0.300 . 1 . . . . 120 GLU CG . 10147 1 1492 . 1 1 120 120 GLU HG2 H 1 2.317 0.030 . 2 . . . . 120 GLU HG2 . 10147 1 1493 . 1 1 120 120 GLU HG3 H 1 2.409 0.030 . 2 . . . . 120 GLU HG3 . 10147 1 1494 . 1 1 120 120 GLU C C 13 178.823 0.300 . 1 . . . . 120 GLU C . 10147 1 1495 . 1 1 121 121 ARG N N 15 118.760 0.300 . 1 . . . . 121 ARG N . 10147 1 1496 . 1 1 121 121 ARG H H 1 7.928 0.030 . 1 . . . . 121 ARG H . 10147 1 1497 . 1 1 121 121 ARG CA C 13 58.065 0.300 . 1 . . . . 121 ARG CA . 10147 1 1498 . 1 1 121 121 ARG HA H 1 4.136 0.030 . 1 . . . . 121 ARG HA . 10147 1 1499 . 1 1 121 121 ARG CB C 13 29.478 0.300 . 1 . . . . 121 ARG CB . 10147 1 1500 . 1 1 121 121 ARG HB2 H 1 1.968 0.030 . 2 . . . . 121 ARG HB2 . 10147 1 1501 . 1 1 121 121 ARG HB3 H 1 1.895 0.030 . 2 . . . . 121 ARG HB3 . 10147 1 1502 . 1 1 121 121 ARG CG C 13 28.098 0.300 . 1 . . . . 121 ARG CG . 10147 1 1503 . 1 1 121 121 ARG HG2 H 1 1.558 0.030 . 2 . . . . 121 ARG HG2 . 10147 1 1504 . 1 1 121 121 ARG HG3 H 1 1.471 0.030 . 2 . . . . 121 ARG HG3 . 10147 1 1505 . 1 1 121 121 ARG CD C 13 42.628 0.300 . 1 . . . . 121 ARG CD . 10147 1 1506 . 1 1 121 121 ARG HD2 H 1 2.506 0.030 . 2 . . . . 121 ARG HD2 . 10147 1 1507 . 1 1 121 121 ARG HD3 H 1 2.902 0.030 . 2 . . . . 121 ARG HD3 . 10147 1 1508 . 1 1 121 121 ARG C C 13 178.426 0.300 . 1 . . . . 121 ARG C . 10147 1 1509 . 1 1 122 122 GLN N N 15 119.430 0.300 . 1 . . . . 122 GLN N . 10147 1 1510 . 1 1 122 122 GLN H H 1 8.323 0.030 . 1 . . . . 122 GLN H . 10147 1 1511 . 1 1 122 122 GLN CA C 13 58.489 0.300 . 1 . . . . 122 GLN CA . 10147 1 1512 . 1 1 122 122 GLN HA H 1 4.352 0.030 . 1 . . . . 122 GLN HA . 10147 1 1513 . 1 1 122 122 GLN CB C 13 29.611 0.300 . 1 . . . . 122 GLN CB . 10147 1 1514 . 1 1 122 122 GLN HB2 H 1 2.367 0.030 . 1 . . . . 122 GLN HB2 . 10147 1 1515 . 1 1 122 122 GLN HB3 H 1 2.367 0.030 . 1 . . . . 122 GLN HB3 . 10147 1 1516 . 1 1 122 122 GLN CG C 13 34.436 0.300 . 1 . . . . 122 GLN CG . 10147 1 1517 . 1 1 122 122 GLN HG2 H 1 2.602 0.030 . 2 . . . . 122 GLN HG2 . 10147 1 1518 . 1 1 122 122 GLN HG3 H 1 2.453 0.030 . 2 . . . . 122 GLN HG3 . 10147 1 1519 . 1 1 122 122 GLN NE2 N 15 112.165 0.300 . 1 . . . . 122 GLN NE2 . 10147 1 1520 . 1 1 122 122 GLN HE21 H 1 7.453 0.030 . 2 . . . . 122 GLN HE21 . 10147 1 1521 . 1 1 122 122 GLN HE22 H 1 6.779 0.030 . 2 . . . . 122 GLN HE22 . 10147 1 1522 . 1 1 122 122 GLN C C 13 177.291 0.300 . 1 . . . . 122 GLN C . 10147 1 1523 . 1 1 123 123 ARG N N 15 118.341 0.300 . 1 . . . . 123 ARG N . 10147 1 1524 . 1 1 123 123 ARG H H 1 7.920 0.030 . 1 . . . . 123 ARG H . 10147 1 1525 . 1 1 123 123 ARG CA C 13 57.695 0.300 . 1 . . . . 123 ARG CA . 10147 1 1526 . 1 1 123 123 ARG HA H 1 4.266 0.030 . 1 . . . . 123 ARG HA . 10147 1 1527 . 1 1 123 123 ARG CB C 13 30.671 0.300 . 1 . . . . 123 ARG CB . 10147 1 1528 . 1 1 123 123 ARG HB2 H 1 1.961 0.030 . 1 . . . . 123 ARG HB2 . 10147 1 1529 . 1 1 123 123 ARG HB3 H 1 1.961 0.030 . 1 . . . . 123 ARG HB3 . 10147 1 1530 . 1 1 123 123 ARG CG C 13 27.820 0.300 . 1 . . . . 123 ARG CG . 10147 1 1531 . 1 1 123 123 ARG HG2 H 1 1.852 0.030 . 2 . . . . 123 ARG HG2 . 10147 1 1532 . 1 1 123 123 ARG HG3 H 1 1.722 0.030 . 2 . . . . 123 ARG HG3 . 10147 1 1533 . 1 1 123 123 ARG CD C 13 43.585 0.300 . 1 . . . . 123 ARG CD . 10147 1 1534 . 1 1 123 123 ARG HD2 H 1 3.242 0.030 . 1 . . . . 123 ARG HD2 . 10147 1 1535 . 1 1 123 123 ARG HD3 H 1 3.242 0.030 . 1 . . . . 123 ARG HD3 . 10147 1 1536 . 1 1 123 123 ARG C C 13 177.214 0.300 . 1 . . . . 123 ARG C . 10147 1 1537 . 1 1 124 124 ARG N N 15 119.452 0.300 . 1 . . . . 124 ARG N . 10147 1 1538 . 1 1 124 124 ARG H H 1 7.850 0.030 . 1 . . . . 124 ARG H . 10147 1 1539 . 1 1 124 124 ARG CA C 13 56.814 0.300 . 1 . . . . 124 ARG CA . 10147 1 1540 . 1 1 124 124 ARG HA H 1 4.300 0.030 . 1 . . . . 124 ARG HA . 10147 1 1541 . 1 1 124 124 ARG CB C 13 30.672 0.300 . 1 . . . . 124 ARG CB . 10147 1 1542 . 1 1 124 124 ARG HB2 H 1 1.876 0.030 . 2 . . . . 124 ARG HB2 . 10147 1 1543 . 1 1 124 124 ARG HB3 H 1 1.946 0.030 . 2 . . . . 124 ARG HB3 . 10147 1 1544 . 1 1 124 124 ARG CG C 13 27.362 0.300 . 1 . . . . 124 ARG CG . 10147 1 1545 . 1 1 124 124 ARG HG2 H 1 1.717 0.030 . 2 . . . . 124 ARG HG2 . 10147 1 1546 . 1 1 124 124 ARG HG3 H 1 1.796 0.030 . 2 . . . . 124 ARG HG3 . 10147 1 1547 . 1 1 124 124 ARG CD C 13 43.529 0.300 . 1 . . . . 124 ARG CD . 10147 1 1548 . 1 1 124 124 ARG HD2 H 1 3.242 0.030 . 1 . . . . 124 ARG HD2 . 10147 1 1549 . 1 1 124 124 ARG HD3 H 1 3.242 0.030 . 1 . . . . 124 ARG HD3 . 10147 1 1550 . 1 1 124 124 ARG C C 13 176.540 0.300 . 1 . . . . 124 ARG C . 10147 1 1551 . 1 1 125 125 ARG N N 15 120.963 0.300 . 1 . . . . 125 ARG N . 10147 1 1552 . 1 1 125 125 ARG H H 1 8.081 0.030 . 1 . . . . 125 ARG H . 10147 1 1553 . 1 1 125 125 ARG CA C 13 56.514 0.300 . 1 . . . . 125 ARG CA . 10147 1 1554 . 1 1 125 125 ARG HA H 1 4.355 0.030 . 1 . . . . 125 ARG HA . 10147 1 1555 . 1 1 125 125 ARG CB C 13 30.694 0.300 . 1 . . . . 125 ARG CB . 10147 1 1556 . 1 1 125 125 ARG HB2 H 1 1.885 0.030 . 1 . . . . 125 ARG HB2 . 10147 1 1557 . 1 1 125 125 ARG HB3 H 1 1.885 0.030 . 1 . . . . 125 ARG HB3 . 10147 1 1558 . 1 1 125 125 ARG CG C 13 27.593 0.300 . 1 . . . . 125 ARG CG . 10147 1 1559 . 1 1 125 125 ARG HG2 H 1 1.630 0.030 . 2 . . . . 125 ARG HG2 . 10147 1 1560 . 1 1 125 125 ARG HG3 H 1 1.538 0.030 . 2 . . . . 125 ARG HG3 . 10147 1 1561 . 1 1 125 125 ARG CD C 13 43.209 0.300 . 1 . . . . 125 ARG CD . 10147 1 1562 . 1 1 125 125 ARG HD2 H 1 3.185 0.030 . 1 . . . . 125 ARG HD2 . 10147 1 1563 . 1 1 125 125 ARG HD3 H 1 3.185 0.030 . 1 . . . . 125 ARG HD3 . 10147 1 1564 . 1 1 125 125 ARG C C 13 176.133 0.300 . 1 . . . . 125 ARG C . 10147 1 1565 . 1 1 126 126 LYS N N 15 122.811 0.300 . 1 . . . . 126 LYS N . 10147 1 1566 . 1 1 126 126 LYS H H 1 8.252 0.030 . 1 . . . . 126 LYS H . 10147 1 1567 . 1 1 126 126 LYS CA C 13 56.430 0.300 . 1 . . . . 126 LYS CA . 10147 1 1568 . 1 1 126 126 LYS HA H 1 4.351 0.030 . 1 . . . . 126 LYS HA . 10147 1 1569 . 1 1 126 126 LYS CB C 13 33.017 0.300 . 1 . . . . 126 LYS CB . 10147 1 1570 . 1 1 126 126 LYS HB2 H 1 1.801 0.030 . 2 . . . . 126 LYS HB2 . 10147 1 1571 . 1 1 126 126 LYS HB3 H 1 1.902 0.030 . 2 . . . . 126 LYS HB3 . 10147 1 1572 . 1 1 126 126 LYS CG C 13 24.766 0.300 . 1 . . . . 126 LYS CG . 10147 1 1573 . 1 1 126 126 LYS HG2 H 1 1.489 0.030 . 2 . . . . 126 LYS HG2 . 10147 1 1574 . 1 1 126 126 LYS HG3 H 1 1.515 0.030 . 2 . . . . 126 LYS HG3 . 10147 1 1575 . 1 1 126 126 LYS CD C 13 29.107 0.300 . 1 . . . . 126 LYS CD . 10147 1 1576 . 1 1 126 126 LYS HD2 H 1 1.715 0.030 . 1 . . . . 126 LYS HD2 . 10147 1 1577 . 1 1 126 126 LYS HD3 H 1 1.715 0.030 . 1 . . . . 126 LYS HD3 . 10147 1 1578 . 1 1 126 126 LYS CE C 13 42.211 0.300 . 1 . . . . 126 LYS CE . 10147 1 1579 . 1 1 126 126 LYS HE2 H 1 3.024 0.030 . 1 . . . . 126 LYS HE2 . 10147 1 1580 . 1 1 126 126 LYS HE3 H 1 3.024 0.030 . 1 . . . . 126 LYS HE3 . 10147 1 1581 . 1 1 126 126 LYS C C 13 175.649 0.300 . 1 . . . . 126 LYS C . 10147 1 1582 . 1 1 127 127 GLN N N 15 126.990 0.300 . 1 . . . . 127 GLN N . 10147 1 1583 . 1 1 127 127 GLN H H 1 8.037 0.030 . 1 . . . . 127 GLN H . 10147 1 1584 . 1 1 127 127 GLN CA C 13 57.493 0.300 . 1 . . . . 127 GLN CA . 10147 1 1585 . 1 1 127 127 GLN HA H 1 4.175 0.030 . 1 . . . . 127 GLN HA . 10147 1 1586 . 1 1 127 127 GLN CB C 13 30.579 0.300 . 1 . . . . 127 GLN CB . 10147 1 1587 . 1 1 127 127 GLN HB2 H 1 1.955 0.030 . 2 . . . . 127 GLN HB2 . 10147 1 1588 . 1 1 127 127 GLN HB3 H 1 2.128 0.030 . 2 . . . . 127 GLN HB3 . 10147 1 1589 . 1 1 127 127 GLN CG C 13 34.389 0.300 . 1 . . . . 127 GLN CG . 10147 1 1590 . 1 1 127 127 GLN HG2 H 1 2.328 0.030 . 1 . . . . 127 GLN HG2 . 10147 1 1591 . 1 1 127 127 GLN HG3 H 1 2.328 0.030 . 1 . . . . 127 GLN HG3 . 10147 1 1592 . 1 1 127 127 GLN NE2 N 15 112.406 0.300 . 1 . . . . 127 GLN NE2 . 10147 1 1593 . 1 1 127 127 GLN HE21 H 1 6.846 0.030 . 2 . . . . 127 GLN HE21 . 10147 1 1594 . 1 1 127 127 GLN HE22 H 1 7.569 0.030 . 2 . . . . 127 GLN HE22 . 10147 1 1595 . 1 1 127 127 GLN C C 13 180.498 0.300 . 1 . . . . 127 GLN C . 10147 1 stop_ save_