data_10316 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10316 _Entry.Title ; Solution structure of the PH domain of TBC1 domain family member 2 protein from human ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-03-11 _Entry.Accession_date 2009-03-11 _Entry.Last_release_date 2010-03-11 _Entry.Original_release_date 2010-03-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 H. Li . . . 10316 2 N. Tochio . . . 10316 3 S. Koshiba . . . 10316 4 T. Harada . . . 10316 5 S. Watanabe . . . 10316 6 T. Kigawa . . . 10316 7 S. Yokoyama . . . 10316 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10316 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10316 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 508 10316 '15N chemical shifts' 110 10316 '1H chemical shifts' 769 10316 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 . . 2010-03-11 2009-03-11 original author . 10316 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DHK 'BMRB Entry Tracking System' 10316 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10316 _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 PH domain of TBC1 domain family member 2 protein from human ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _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 H. Li . . . 10316 1 2 N. Tochio . . . 10316 1 3 S. Koshiba . . . 10316 1 4 T. Harada . . . 10316 1 5 S. Watanabe . . . 10316 1 6 T. Kigawa . . . 10316 1 7 S. Yokoyama . . . 10316 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10316 _Assembly.ID 1 _Assembly.Name 'TBC1 domain family member 2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PH domain' 1 $entity_1 . . yes native no no . . . 10316 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 2DHK . . . . . . 10316 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10316 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PH 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 ; GSSGSSGKKLCGYLSKFGGK GPIRGWKSRWFFYDERKCQL YYSRTAQDANPLDSIDLSSA VFDCKADAEEGIFEIKTPSR VITLKAATKQAMLYWLQQLQ MKRWEFHNSPPAPSGPSSG ; _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 119 _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 2DHK . "Solution Structure Of The Ph Domain Of Tbc1 Domain Family Member 2 Protein From Human" . . . . . 100.00 119 100.00 100.00 2.16e-81 . . . . 10316 1 2 no DBJ BAD92958 . "Hypothetical protein pp8997 variant [Homo sapiens]" . . . . . 89.08 452 100.00 100.00 4.89e-72 . . . . 10316 1 3 no DBJ BAG54761 . "unnamed protein product [Homo sapiens]" . . . . . 89.08 787 99.06 100.00 8.60e-68 . . . . 10316 1 4 no DBJ BAH16625 . "TBC1 domain family, member 2A [Homo sapiens]" . . . . . 89.08 928 100.00 100.00 7.19e-68 . . . . 10316 1 5 no EMBL CAH92074 . "hypothetical protein [Pongo abelii]" . . . . . 89.08 171 99.06 100.00 1.81e-72 . . . . 10316 1 6 no GB AAK07684 . "prostate antigen PARIS-1 [Homo sapiens]" . . . . . 89.08 917 100.00 100.00 9.01e-68 . . . . 10316 1 7 no GB AAL55877 . "unknown [Homo sapiens]" . . . . . 89.08 860 100.00 100.00 4.11e-68 . . . . 10316 1 8 no GB EAW58882 . "TBC1 domain family, member 2, isoform CRA_a [Homo sapiens]" . . . . . 89.08 917 100.00 100.00 9.56e-68 . . . . 10316 1 9 no GB EAW58883 . "TBC1 domain family, member 2, isoform CRA_b [Homo sapiens]" . . . . . 89.08 943 100.00 100.00 6.47e-68 . . . . 10316 1 10 no GB EAW58884 . "TBC1 domain family, member 2, isoform CRA_c [Homo sapiens]" . . . . . 89.08 928 100.00 100.00 7.19e-68 . . . . 10316 1 11 no REF NP_001254500 . "TBC1 domain family member 2A isoform 1 [Homo sapiens]" . . . . . 89.08 928 100.00 100.00 7.19e-68 . . . . 10316 1 12 no REF NP_060891 . "TBC1 domain family member 2A isoform 2 [Homo sapiens]" . . . . . 89.08 917 100.00 100.00 9.56e-68 . . . . 10316 1 13 no REF XP_001158356 . "PREDICTED: TBC1 domain family member 2A isoform X1 [Pan troglodytes]" . . . . . 89.08 928 99.06 99.06 2.94e-67 . . . . 10316 1 14 no REF XP_003260594 . "PREDICTED: TBC1 domain family member 2A isoform X1 [Nomascus leucogenys]" . . . . . 89.08 928 100.00 100.00 4.99e-68 . . . . 10316 1 15 no REF XP_003260595 . "PREDICTED: TBC1 domain family member 2A isoform X2 [Nomascus leucogenys]" . . . . . 89.08 917 100.00 100.00 6.19e-68 . . . . 10316 1 16 no SP Q9BYX2 . "RecName: Full=TBC1 domain family member 2A; AltName: Full=Armus; AltName: Full=Prostate antigen recognized and identified by SE" . . . . . 89.08 928 100.00 100.00 7.19e-68 . . . . 10316 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PH domain' . 10316 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 . 10316 1 2 . SER . 10316 1 3 . SER . 10316 1 4 . GLY . 10316 1 5 . SER . 10316 1 6 . SER . 10316 1 7 . GLY . 10316 1 8 . LYS . 10316 1 9 . LYS . 10316 1 10 . LEU . 10316 1 11 . CYS . 10316 1 12 . GLY . 10316 1 13 . TYR . 10316 1 14 . LEU . 10316 1 15 . SER . 10316 1 16 . LYS . 10316 1 17 . PHE . 10316 1 18 . GLY . 10316 1 19 . GLY . 10316 1 20 . LYS . 10316 1 21 . GLY . 10316 1 22 . PRO . 10316 1 23 . ILE . 10316 1 24 . ARG . 10316 1 25 . GLY . 10316 1 26 . TRP . 10316 1 27 . LYS . 10316 1 28 . SER . 10316 1 29 . ARG . 10316 1 30 . TRP . 10316 1 31 . PHE . 10316 1 32 . PHE . 10316 1 33 . TYR . 10316 1 34 . ASP . 10316 1 35 . GLU . 10316 1 36 . ARG . 10316 1 37 . LYS . 10316 1 38 . CYS . 10316 1 39 . GLN . 10316 1 40 . LEU . 10316 1 41 . TYR . 10316 1 42 . TYR . 10316 1 43 . SER . 10316 1 44 . ARG . 10316 1 45 . THR . 10316 1 46 . ALA . 10316 1 47 . GLN . 10316 1 48 . ASP . 10316 1 49 . ALA . 10316 1 50 . ASN . 10316 1 51 . PRO . 10316 1 52 . LEU . 10316 1 53 . ASP . 10316 1 54 . SER . 10316 1 55 . ILE . 10316 1 56 . ASP . 10316 1 57 . LEU . 10316 1 58 . SER . 10316 1 59 . SER . 10316 1 60 . ALA . 10316 1 61 . VAL . 10316 1 62 . PHE . 10316 1 63 . ASP . 10316 1 64 . CYS . 10316 1 65 . LYS . 10316 1 66 . ALA . 10316 1 67 . ASP . 10316 1 68 . ALA . 10316 1 69 . GLU . 10316 1 70 . GLU . 10316 1 71 . GLY . 10316 1 72 . ILE . 10316 1 73 . PHE . 10316 1 74 . GLU . 10316 1 75 . ILE . 10316 1 76 . LYS . 10316 1 77 . THR . 10316 1 78 . PRO . 10316 1 79 . SER . 10316 1 80 . ARG . 10316 1 81 . VAL . 10316 1 82 . ILE . 10316 1 83 . THR . 10316 1 84 . LEU . 10316 1 85 . LYS . 10316 1 86 . ALA . 10316 1 87 . ALA . 10316 1 88 . THR . 10316 1 89 . LYS . 10316 1 90 . GLN . 10316 1 91 . ALA . 10316 1 92 . MET . 10316 1 93 . LEU . 10316 1 94 . TYR . 10316 1 95 . TRP . 10316 1 96 . LEU . 10316 1 97 . GLN . 10316 1 98 . GLN . 10316 1 99 . LEU . 10316 1 100 . GLN . 10316 1 101 . MET . 10316 1 102 . LYS . 10316 1 103 . ARG . 10316 1 104 . TRP . 10316 1 105 . GLU . 10316 1 106 . PHE . 10316 1 107 . HIS . 10316 1 108 . ASN . 10316 1 109 . SER . 10316 1 110 . PRO . 10316 1 111 . PRO . 10316 1 112 . ALA . 10316 1 113 . PRO . 10316 1 114 . SER . 10316 1 115 . GLY . 10316 1 116 . PRO . 10316 1 117 . SER . 10316 1 118 . SER . 10316 1 119 . GLY . 10316 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 10316 1 . SER 2 2 10316 1 . SER 3 3 10316 1 . GLY 4 4 10316 1 . SER 5 5 10316 1 . SER 6 6 10316 1 . GLY 7 7 10316 1 . LYS 8 8 10316 1 . LYS 9 9 10316 1 . LEU 10 10 10316 1 . CYS 11 11 10316 1 . GLY 12 12 10316 1 . TYR 13 13 10316 1 . LEU 14 14 10316 1 . SER 15 15 10316 1 . LYS 16 16 10316 1 . PHE 17 17 10316 1 . GLY 18 18 10316 1 . GLY 19 19 10316 1 . LYS 20 20 10316 1 . GLY 21 21 10316 1 . PRO 22 22 10316 1 . ILE 23 23 10316 1 . ARG 24 24 10316 1 . GLY 25 25 10316 1 . TRP 26 26 10316 1 . LYS 27 27 10316 1 . SER 28 28 10316 1 . ARG 29 29 10316 1 . TRP 30 30 10316 1 . PHE 31 31 10316 1 . PHE 32 32 10316 1 . TYR 33 33 10316 1 . ASP 34 34 10316 1 . GLU 35 35 10316 1 . ARG 36 36 10316 1 . LYS 37 37 10316 1 . CYS 38 38 10316 1 . GLN 39 39 10316 1 . LEU 40 40 10316 1 . TYR 41 41 10316 1 . TYR 42 42 10316 1 . SER 43 43 10316 1 . ARG 44 44 10316 1 . THR 45 45 10316 1 . ALA 46 46 10316 1 . GLN 47 47 10316 1 . ASP 48 48 10316 1 . ALA 49 49 10316 1 . ASN 50 50 10316 1 . PRO 51 51 10316 1 . LEU 52 52 10316 1 . ASP 53 53 10316 1 . SER 54 54 10316 1 . ILE 55 55 10316 1 . ASP 56 56 10316 1 . LEU 57 57 10316 1 . SER 58 58 10316 1 . SER 59 59 10316 1 . ALA 60 60 10316 1 . VAL 61 61 10316 1 . PHE 62 62 10316 1 . ASP 63 63 10316 1 . CYS 64 64 10316 1 . LYS 65 65 10316 1 . ALA 66 66 10316 1 . ASP 67 67 10316 1 . ALA 68 68 10316 1 . GLU 69 69 10316 1 . GLU 70 70 10316 1 . GLY 71 71 10316 1 . ILE 72 72 10316 1 . PHE 73 73 10316 1 . GLU 74 74 10316 1 . ILE 75 75 10316 1 . LYS 76 76 10316 1 . THR 77 77 10316 1 . PRO 78 78 10316 1 . SER 79 79 10316 1 . ARG 80 80 10316 1 . VAL 81 81 10316 1 . ILE 82 82 10316 1 . THR 83 83 10316 1 . LEU 84 84 10316 1 . LYS 85 85 10316 1 . ALA 86 86 10316 1 . ALA 87 87 10316 1 . THR 88 88 10316 1 . LYS 89 89 10316 1 . GLN 90 90 10316 1 . ALA 91 91 10316 1 . MET 92 92 10316 1 . LEU 93 93 10316 1 . TYR 94 94 10316 1 . TRP 95 95 10316 1 . LEU 96 96 10316 1 . GLN 97 97 10316 1 . GLN 98 98 10316 1 . LEU 99 99 10316 1 . GLN 100 100 10316 1 . MET 101 101 10316 1 . LYS 102 102 10316 1 . ARG 103 103 10316 1 . TRP 104 104 10316 1 . GLU 105 105 10316 1 . PHE 106 106 10316 1 . HIS 107 107 10316 1 . ASN 108 108 10316 1 . SER 109 109 10316 1 . PRO 110 110 10316 1 . PRO 111 111 10316 1 . ALA 112 112 10316 1 . PRO 113 113 10316 1 . SER 114 114 10316 1 . GLY 115 115 10316 1 . PRO 116 116 10316 1 . SER 117 117 10316 1 . SER 118 118 10316 1 . GLY 119 119 10316 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 10316 _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 . . . . . . . . . . . . . . . . . . . . . 10316 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 10316 _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 . . P051205-24 . . . . . . 10316 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10316 _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 'PH domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.31 . . mM . . . . 10316 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10316 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10316 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10316 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10316 1 6 H2O . . . . . . solvent 90 . . % . . . . 10316 1 7 D2O . . . . . . solvent 10 . . % . . . . 10316 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 10316 _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 10316 1 pH 7.0 0.05 pH 10316 1 pressure 1 0.001 atm 10316 1 temperature 296 0.1 K 10316 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10316 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10316 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10316 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10316 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10316 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10316 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10316 _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.' . . 10316 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10316 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10316 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10316 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10316 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10316 _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 'Guntert, P.' . . 10316 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10316 5 'structure solution' 10316 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 10316 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _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 10316 _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 . 900 . . . 10316 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 10316 _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 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10316 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10316 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 10316 _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 . . . . . . . . . 10316 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10316 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10316 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 10316 _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 10316 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10316 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 7 7 GLY HA2 H 1 4.007 0.030 . 2 . . . . 7 GLY HA2 . 10316 1 2 . 1 1 7 7 GLY HA3 H 1 3.967 0.030 . 2 . . . . 7 GLY HA3 . 10316 1 3 . 1 1 7 7 GLY C C 13 174.142 0.300 . 1 . . . . 7 GLY C . 10316 1 4 . 1 1 7 7 GLY CA C 13 45.446 0.300 . 1 . . . . 7 GLY CA . 10316 1 5 . 1 1 8 8 LYS H H 1 8.194 0.030 . 1 . . . . 8 LYS H . 10316 1 6 . 1 1 8 8 LYS HA H 1 4.368 0.030 . 1 . . . . 8 LYS HA . 10316 1 7 . 1 1 8 8 LYS HB2 H 1 1.847 0.030 . 2 . . . . 8 LYS HB2 . 10316 1 8 . 1 1 8 8 LYS HB3 H 1 1.747 0.030 . 2 . . . . 8 LYS HB3 . 10316 1 9 . 1 1 8 8 LYS HE2 H 1 2.994 0.030 . 2 . . . . 8 LYS HE2 . 10316 1 10 . 1 1 8 8 LYS HG2 H 1 1.439 0.030 . 2 . . . . 8 LYS HG2 . 10316 1 11 . 1 1 8 8 LYS C C 13 176.784 0.300 . 1 . . . . 8 LYS C . 10316 1 12 . 1 1 8 8 LYS CA C 13 56.048 0.300 . 1 . . . . 8 LYS CA . 10316 1 13 . 1 1 8 8 LYS CB C 13 33.108 0.300 . 1 . . . . 8 LYS CB . 10316 1 14 . 1 1 8 8 LYS CD C 13 28.979 0.300 . 1 . . . . 8 LYS CD . 10316 1 15 . 1 1 8 8 LYS CE C 13 42.298 0.300 . 1 . . . . 8 LYS CE . 10316 1 16 . 1 1 8 8 LYS CG C 13 24.786 0.300 . 1 . . . . 8 LYS CG . 10316 1 17 . 1 1 8 8 LYS N N 15 120.946 0.300 . 1 . . . . 8 LYS N . 10316 1 18 . 1 1 9 9 LYS H H 1 8.389 0.030 . 1 . . . . 9 LYS H . 10316 1 19 . 1 1 9 9 LYS HA H 1 4.387 0.030 . 1 . . . . 9 LYS HA . 10316 1 20 . 1 1 9 9 LYS HB2 H 1 1.885 0.030 . 1 . . . . 9 LYS HB2 . 10316 1 21 . 1 1 9 9 LYS HB3 H 1 1.885 0.030 . 1 . . . . 9 LYS HB3 . 10316 1 22 . 1 1 9 9 LYS HD2 H 1 1.816 0.030 . 1 . . . . 9 LYS HD2 . 10316 1 23 . 1 1 9 9 LYS HD3 H 1 1.816 0.030 . 1 . . . . 9 LYS HD3 . 10316 1 24 . 1 1 9 9 LYS HE2 H 1 3.106 0.030 . 2 . . . . 9 LYS HE2 . 10316 1 25 . 1 1 9 9 LYS HE3 H 1 3.074 0.030 . 2 . . . . 9 LYS HE3 . 10316 1 26 . 1 1 9 9 LYS HG2 H 1 1.610 0.030 . 2 . . . . 9 LYS HG2 . 10316 1 27 . 1 1 9 9 LYS HG3 H 1 1.497 0.030 . 2 . . . . 9 LYS HG3 . 10316 1 28 . 1 1 9 9 LYS C C 13 176.010 0.300 . 1 . . . . 9 LYS C . 10316 1 29 . 1 1 9 9 LYS CA C 13 56.224 0.300 . 1 . . . . 9 LYS CA . 10316 1 30 . 1 1 9 9 LYS CB C 13 33.337 0.300 . 1 . . . . 9 LYS CB . 10316 1 31 . 1 1 9 9 LYS CD C 13 29.201 0.300 . 1 . . . . 9 LYS CD . 10316 1 32 . 1 1 9 9 LYS CE C 13 42.216 0.300 . 1 . . . . 9 LYS CE . 10316 1 33 . 1 1 9 9 LYS CG C 13 24.929 0.300 . 1 . . . . 9 LYS CG . 10316 1 34 . 1 1 9 9 LYS N N 15 123.734 0.300 . 1 . . . . 9 LYS N . 10316 1 35 . 1 1 10 10 LEU H H 1 9.217 0.030 . 1 . . . . 10 LEU H . 10316 1 36 . 1 1 10 10 LEU HA H 1 4.426 0.030 . 1 . . . . 10 LEU HA . 10316 1 37 . 1 1 10 10 LEU HB2 H 1 1.847 0.030 . 2 . . . . 10 LEU HB2 . 10316 1 38 . 1 1 10 10 LEU HB3 H 1 1.127 0.030 . 2 . . . . 10 LEU HB3 . 10316 1 39 . 1 1 10 10 LEU HD11 H 1 -0.203 0.030 . 1 . . . . 10 LEU HD1 . 10316 1 40 . 1 1 10 10 LEU HD12 H 1 -0.203 0.030 . 1 . . . . 10 LEU HD1 . 10316 1 41 . 1 1 10 10 LEU HD13 H 1 -0.203 0.030 . 1 . . . . 10 LEU HD1 . 10316 1 42 . 1 1 10 10 LEU HD21 H 1 0.311 0.030 . 1 . . . . 10 LEU HD2 . 10316 1 43 . 1 1 10 10 LEU HD22 H 1 0.311 0.030 . 1 . . . . 10 LEU HD2 . 10316 1 44 . 1 1 10 10 LEU HD23 H 1 0.311 0.030 . 1 . . . . 10 LEU HD2 . 10316 1 45 . 1 1 10 10 LEU HG H 1 0.907 0.030 . 1 . . . . 10 LEU HG . 10316 1 46 . 1 1 10 10 LEU C C 13 173.651 0.300 . 1 . . . . 10 LEU C . 10316 1 47 . 1 1 10 10 LEU CA C 13 54.538 0.300 . 1 . . . . 10 LEU CA . 10316 1 48 . 1 1 10 10 LEU CB C 13 41.640 0.300 . 1 . . . . 10 LEU CB . 10316 1 49 . 1 1 10 10 LEU CD1 C 13 21.519 0.300 . 2 . . . . 10 LEU CD1 . 10316 1 50 . 1 1 10 10 LEU CD2 C 13 25.975 0.300 . 2 . . . . 10 LEU CD2 . 10316 1 51 . 1 1 10 10 LEU CG C 13 26.860 0.300 . 1 . . . . 10 LEU CG . 10316 1 52 . 1 1 10 10 LEU N N 15 127.619 0.300 . 1 . . . . 10 LEU N . 10316 1 53 . 1 1 11 11 CYS H H 1 7.847 0.030 . 1 . . . . 11 CYS H . 10316 1 54 . 1 1 11 11 CYS HA H 1 5.480 0.030 . 1 . . . . 11 CYS HA . 10316 1 55 . 1 1 11 11 CYS HB2 H 1 3.267 0.030 . 2 . . . . 11 CYS HB2 . 10316 1 56 . 1 1 11 11 CYS HB3 H 1 2.637 0.030 . 2 . . . . 11 CYS HB3 . 10316 1 57 . 1 1 11 11 CYS C C 13 172.608 0.300 . 1 . . . . 11 CYS C . 10316 1 58 . 1 1 11 11 CYS CA C 13 55.166 0.300 . 1 . . . . 11 CYS CA . 10316 1 59 . 1 1 11 11 CYS CB C 13 30.521 0.300 . 1 . . . . 11 CYS CB . 10316 1 60 . 1 1 11 11 CYS N N 15 120.450 0.300 . 1 . . . . 11 CYS N . 10316 1 61 . 1 1 12 12 GLY H H 1 8.102 0.030 . 1 . . . . 12 GLY H . 10316 1 62 . 1 1 12 12 GLY HA2 H 1 4.585 0.030 . 2 . . . . 12 GLY HA2 . 10316 1 63 . 1 1 12 12 GLY HA3 H 1 3.737 0.030 . 2 . . . . 12 GLY HA3 . 10316 1 64 . 1 1 12 12 GLY C C 13 171.678 0.300 . 1 . . . . 12 GLY C . 10316 1 65 . 1 1 12 12 GLY CA C 13 45.730 0.300 . 1 . . . . 12 GLY CA . 10316 1 66 . 1 1 12 12 GLY N N 15 107.688 0.300 . 1 . . . . 12 GLY N . 10316 1 67 . 1 1 13 13 TYR H H 1 8.967 0.030 . 1 . . . . 13 TYR H . 10316 1 68 . 1 1 13 13 TYR HA H 1 5.684 0.030 . 1 . . . . 13 TYR HA . 10316 1 69 . 1 1 13 13 TYR HB2 H 1 3.108 0.030 . 2 . . . . 13 TYR HB2 . 10316 1 70 . 1 1 13 13 TYR HB3 H 1 2.998 0.030 . 2 . . . . 13 TYR HB3 . 10316 1 71 . 1 1 13 13 TYR HD1 H 1 7.482 0.030 . 1 . . . . 13 TYR HD1 . 10316 1 72 . 1 1 13 13 TYR HD2 H 1 7.482 0.030 . 1 . . . . 13 TYR HD2 . 10316 1 73 . 1 1 13 13 TYR HE1 H 1 7.075 0.030 . 1 . . . . 13 TYR HE1 . 10316 1 74 . 1 1 13 13 TYR HE2 H 1 7.075 0.030 . 1 . . . . 13 TYR HE2 . 10316 1 75 . 1 1 13 13 TYR C C 13 177.677 0.300 . 1 . . . . 13 TYR C . 10316 1 76 . 1 1 13 13 TYR CA C 13 59.826 0.300 . 1 . . . . 13 TYR CA . 10316 1 77 . 1 1 13 13 TYR CB C 13 39.503 0.300 . 1 . . . . 13 TYR CB . 10316 1 78 . 1 1 13 13 TYR CD1 C 13 133.845 0.300 . 1 . . . . 13 TYR CD1 . 10316 1 79 . 1 1 13 13 TYR CD2 C 13 133.845 0.300 . 1 . . . . 13 TYR CD2 . 10316 1 80 . 1 1 13 13 TYR CE1 C 13 119.230 0.300 . 1 . . . . 13 TYR CE1 . 10316 1 81 . 1 1 13 13 TYR CE2 C 13 119.230 0.300 . 1 . . . . 13 TYR CE2 . 10316 1 82 . 1 1 13 13 TYR N N 15 118.349 0.300 . 1 . . . . 13 TYR N . 10316 1 83 . 1 1 14 14 LEU H H 1 9.283 0.030 . 1 . . . . 14 LEU H . 10316 1 84 . 1 1 14 14 LEU HA H 1 4.539 0.030 . 1 . . . . 14 LEU HA . 10316 1 85 . 1 1 14 14 LEU HB2 H 1 1.145 0.030 . 2 . . . . 14 LEU HB2 . 10316 1 86 . 1 1 14 14 LEU HB3 H 1 0.525 0.030 . 2 . . . . 14 LEU HB3 . 10316 1 87 . 1 1 14 14 LEU HD11 H 1 -1.202 0.030 . 1 . . . . 14 LEU HD1 . 10316 1 88 . 1 1 14 14 LEU HD12 H 1 -1.202 0.030 . 1 . . . . 14 LEU HD1 . 10316 1 89 . 1 1 14 14 LEU HD13 H 1 -1.202 0.030 . 1 . . . . 14 LEU HD1 . 10316 1 90 . 1 1 14 14 LEU HD21 H 1 0.296 0.030 . 1 . . . . 14 LEU HD2 . 10316 1 91 . 1 1 14 14 LEU HD22 H 1 0.296 0.030 . 1 . . . . 14 LEU HD2 . 10316 1 92 . 1 1 14 14 LEU HD23 H 1 0.296 0.030 . 1 . . . . 14 LEU HD2 . 10316 1 93 . 1 1 14 14 LEU HG H 1 0.695 0.030 . 1 . . . . 14 LEU HG . 10316 1 94 . 1 1 14 14 LEU C C 13 175.931 0.300 . 1 . . . . 14 LEU C . 10316 1 95 . 1 1 14 14 LEU CA C 13 54.114 0.300 . 1 . . . . 14 LEU CA . 10316 1 96 . 1 1 14 14 LEU CB C 13 47.334 0.300 . 1 . . . . 14 LEU CB . 10316 1 97 . 1 1 14 14 LEU CD1 C 13 23.823 0.300 . 2 . . . . 14 LEU CD1 . 10316 1 98 . 1 1 14 14 LEU CD2 C 13 23.434 0.300 . 2 . . . . 14 LEU CD2 . 10316 1 99 . 1 1 14 14 LEU CG C 13 26.141 0.300 . 1 . . . . 14 LEU CG . 10316 1 100 . 1 1 14 14 LEU N N 15 122.915 0.300 . 1 . . . . 14 LEU N . 10316 1 101 . 1 1 15 15 SER H H 1 8.306 0.030 . 1 . . . . 15 SER H . 10316 1 102 . 1 1 15 15 SER HA H 1 5.587 0.030 . 1 . . . . 15 SER HA . 10316 1 103 . 1 1 15 15 SER HB2 H 1 3.866 0.030 . 2 . . . . 15 SER HB2 . 10316 1 104 . 1 1 15 15 SER HB3 H 1 3.668 0.030 . 2 . . . . 15 SER HB3 . 10316 1 105 . 1 1 15 15 SER C C 13 172.611 0.300 . 1 . . . . 15 SER C . 10316 1 106 . 1 1 15 15 SER CA C 13 57.736 0.300 . 1 . . . . 15 SER CA . 10316 1 107 . 1 1 15 15 SER CB C 13 64.415 0.300 . 1 . . . . 15 SER CB . 10316 1 108 . 1 1 15 15 SER N N 15 114.390 0.300 . 1 . . . . 15 SER N . 10316 1 109 . 1 1 16 16 LYS H H 1 9.399 0.030 . 1 . . . . 16 LYS H . 10316 1 110 . 1 1 16 16 LYS HA H 1 5.187 0.030 . 1 . . . . 16 LYS HA . 10316 1 111 . 1 1 16 16 LYS HB2 H 1 1.708 0.030 . 2 . . . . 16 LYS HB2 . 10316 1 112 . 1 1 16 16 LYS HB3 H 1 1.373 0.030 . 2 . . . . 16 LYS HB3 . 10316 1 113 . 1 1 16 16 LYS HD2 H 1 1.198 0.030 . 2 . . . . 16 LYS HD2 . 10316 1 114 . 1 1 16 16 LYS HD3 H 1 1.328 0.030 . 2 . . . . 16 LYS HD3 . 10316 1 115 . 1 1 16 16 LYS HE2 H 1 2.845 0.030 . 2 . . . . 16 LYS HE2 . 10316 1 116 . 1 1 16 16 LYS HE3 H 1 2.997 0.030 . 2 . . . . 16 LYS HE3 . 10316 1 117 . 1 1 16 16 LYS HG2 H 1 1.245 0.030 . 2 . . . . 16 LYS HG2 . 10316 1 118 . 1 1 16 16 LYS HG3 H 1 1.287 0.030 . 2 . . . . 16 LYS HG3 . 10316 1 119 . 1 1 16 16 LYS C C 13 175.957 0.300 . 1 . . . . 16 LYS C . 10316 1 120 . 1 1 16 16 LYS CA C 13 54.467 0.300 . 1 . . . . 16 LYS CA . 10316 1 121 . 1 1 16 16 LYS CB C 13 36.132 0.300 . 1 . . . . 16 LYS CB . 10316 1 122 . 1 1 16 16 LYS CD C 13 29.712 0.300 . 1 . . . . 16 LYS CD . 10316 1 123 . 1 1 16 16 LYS CE C 13 41.902 0.300 . 1 . . . . 16 LYS CE . 10316 1 124 . 1 1 16 16 LYS CG C 13 24.691 0.300 . 1 . . . . 16 LYS CG . 10316 1 125 . 1 1 16 16 LYS N N 15 125.186 0.300 . 1 . . . . 16 LYS N . 10316 1 126 . 1 1 17 17 PHE H H 1 8.489 0.030 . 1 . . . . 17 PHE H . 10316 1 127 . 1 1 17 17 PHE HA H 1 4.068 0.030 . 1 . . . . 17 PHE HA . 10316 1 128 . 1 1 17 17 PHE HB2 H 1 1.305 0.030 . 2 . . . . 17 PHE HB2 . 10316 1 129 . 1 1 17 17 PHE HB3 H 1 2.259 0.030 . 2 . . . . 17 PHE HB3 . 10316 1 130 . 1 1 17 17 PHE HD1 H 1 5.753 0.030 . 1 . . . . 17 PHE HD1 . 10316 1 131 . 1 1 17 17 PHE HD2 H 1 5.753 0.030 . 1 . . . . 17 PHE HD2 . 10316 1 132 . 1 1 17 17 PHE HE1 H 1 6.912 0.030 . 1 . . . . 17 PHE HE1 . 10316 1 133 . 1 1 17 17 PHE HE2 H 1 6.912 0.030 . 1 . . . . 17 PHE HE2 . 10316 1 134 . 1 1 17 17 PHE HZ H 1 6.997 0.030 . 1 . . . . 17 PHE HZ . 10316 1 135 . 1 1 17 17 PHE C C 13 175.712 0.300 . 1 . . . . 17 PHE C . 10316 1 136 . 1 1 17 17 PHE CA C 13 57.698 0.300 . 1 . . . . 17 PHE CA . 10316 1 137 . 1 1 17 17 PHE CB C 13 38.944 0.300 . 1 . . . . 17 PHE CB . 10316 1 138 . 1 1 17 17 PHE CD1 C 13 130.823 0.300 . 1 . . . . 17 PHE CD1 . 10316 1 139 . 1 1 17 17 PHE CD2 C 13 130.823 0.300 . 1 . . . . 17 PHE CD2 . 10316 1 140 . 1 1 17 17 PHE CE1 C 13 130.818 0.300 . 1 . . . . 17 PHE CE1 . 10316 1 141 . 1 1 17 17 PHE CE2 C 13 130.818 0.300 . 1 . . . . 17 PHE CE2 . 10316 1 142 . 1 1 17 17 PHE CZ C 13 129.821 0.300 . 1 . . . . 17 PHE CZ . 10316 1 143 . 1 1 17 17 PHE N N 15 131.338 0.300 . 1 . . . . 17 PHE N . 10316 1 144 . 1 1 18 18 GLY H H 1 7.997 0.030 . 1 . . . . 18 GLY H . 10316 1 145 . 1 1 18 18 GLY HA2 H 1 3.866 0.030 . 2 . . . . 18 GLY HA2 . 10316 1 146 . 1 1 18 18 GLY HA3 H 1 3.787 0.030 . 2 . . . . 18 GLY HA3 . 10316 1 147 . 1 1 18 18 GLY C C 13 172.195 0.300 . 1 . . . . 18 GLY C . 10316 1 148 . 1 1 18 18 GLY CA C 13 45.491 0.300 . 1 . . . . 18 GLY CA . 10316 1 149 . 1 1 18 18 GLY N N 15 116.150 0.300 . 1 . . . . 18 GLY N . 10316 1 150 . 1 1 20 20 LYS HA H 1 4.437 0.030 . 1 . . . . 20 LYS HA . 10316 1 151 . 1 1 20 20 LYS HB2 H 1 1.789 0.030 . 2 . . . . 20 LYS HB2 . 10316 1 152 . 1 1 20 20 LYS HB3 H 1 1.671 0.030 . 2 . . . . 20 LYS HB3 . 10316 1 153 . 1 1 20 20 LYS HE2 H 1 2.956 0.030 . 2 . . . . 20 LYS HE2 . 10316 1 154 . 1 1 20 20 LYS HG2 H 1 1.395 0.030 . 2 . . . . 20 LYS HG2 . 10316 1 155 . 1 1 20 20 LYS C C 13 175.401 0.300 . 1 . . . . 20 LYS C . 10316 1 156 . 1 1 20 20 LYS CA C 13 55.561 0.300 . 1 . . . . 20 LYS CA . 10316 1 157 . 1 1 20 20 LYS CB C 13 34.221 0.300 . 1 . . . . 20 LYS CB . 10316 1 158 . 1 1 20 20 LYS CD C 13 29.174 0.300 . 1 . . . . 20 LYS CD . 10316 1 159 . 1 1 20 20 LYS CE C 13 41.979 0.300 . 1 . . . . 20 LYS CE . 10316 1 160 . 1 1 20 20 LYS CG C 13 24.838 0.300 . 1 . . . . 20 LYS CG . 10316 1 161 . 1 1 21 21 GLY HA2 H 1 4.207 0.030 . 2 . . . . 21 GLY HA2 . 10316 1 162 . 1 1 21 21 GLY HA3 H 1 3.848 0.030 . 2 . . . . 21 GLY HA3 . 10316 1 163 . 1 1 21 21 GLY CA C 13 44.793 0.300 . 1 . . . . 21 GLY CA . 10316 1 164 . 1 1 22 22 PRO HA H 1 4.367 0.030 . 1 . . . . 22 PRO HA . 10316 1 165 . 1 1 22 22 PRO HB2 H 1 2.278 0.030 . 2 . . . . 22 PRO HB2 . 10316 1 166 . 1 1 22 22 PRO HB3 H 1 1.976 0.030 . 2 . . . . 22 PRO HB3 . 10316 1 167 . 1 1 22 22 PRO HD2 H 1 3.597 0.030 . 2 . . . . 22 PRO HD2 . 10316 1 168 . 1 1 22 22 PRO HD3 H 1 3.816 0.030 . 2 . . . . 22 PRO HD3 . 10316 1 169 . 1 1 22 22 PRO HG2 H 1 2.036 0.030 . 2 . . . . 22 PRO HG2 . 10316 1 170 . 1 1 22 22 PRO HG3 H 1 1.952 0.030 . 2 . . . . 22 PRO HG3 . 10316 1 171 . 1 1 22 22 PRO C C 13 176.937 0.300 . 1 . . . . 22 PRO C . 10316 1 172 . 1 1 22 22 PRO CA C 13 64.224 0.300 . 1 . . . . 22 PRO CA . 10316 1 173 . 1 1 22 22 PRO CB C 13 32.268 0.300 . 1 . . . . 22 PRO CB . 10316 1 174 . 1 1 22 22 PRO CD C 13 50.088 0.300 . 1 . . . . 22 PRO CD . 10316 1 175 . 1 1 22 22 PRO CG C 13 27.006 0.300 . 1 . . . . 22 PRO CG . 10316 1 176 . 1 1 23 23 ILE H H 1 7.516 0.030 . 1 . . . . 23 ILE H . 10316 1 177 . 1 1 23 23 ILE HA H 1 4.197 0.030 . 1 . . . . 23 ILE HA . 10316 1 178 . 1 1 23 23 ILE HB H 1 1.896 0.030 . 1 . . . . 23 ILE HB . 10316 1 179 . 1 1 23 23 ILE HD11 H 1 0.827 0.030 . 1 . . . . 23 ILE HD1 . 10316 1 180 . 1 1 23 23 ILE HD12 H 1 0.827 0.030 . 1 . . . . 23 ILE HD1 . 10316 1 181 . 1 1 23 23 ILE HD13 H 1 0.827 0.030 . 1 . . . . 23 ILE HD1 . 10316 1 182 . 1 1 23 23 ILE HG12 H 1 1.377 0.030 . 2 . . . . 23 ILE HG12 . 10316 1 183 . 1 1 23 23 ILE HG13 H 1 1.127 0.030 . 2 . . . . 23 ILE HG13 . 10316 1 184 . 1 1 23 23 ILE HG21 H 1 0.817 0.030 . 1 . . . . 23 ILE HG2 . 10316 1 185 . 1 1 23 23 ILE HG22 H 1 0.817 0.030 . 1 . . . . 23 ILE HG2 . 10316 1 186 . 1 1 23 23 ILE HG23 H 1 0.817 0.030 . 1 . . . . 23 ILE HG2 . 10316 1 187 . 1 1 23 23 ILE C C 13 175.408 0.300 . 1 . . . . 23 ILE C . 10316 1 188 . 1 1 23 23 ILE CA C 13 60.246 0.300 . 1 . . . . 23 ILE CA . 10316 1 189 . 1 1 23 23 ILE CB C 13 37.817 0.300 . 1 . . . . 23 ILE CB . 10316 1 190 . 1 1 23 23 ILE CD1 C 13 12.552 0.300 . 1 . . . . 23 ILE CD1 . 10316 1 191 . 1 1 23 23 ILE CG1 C 13 27.167 0.300 . 1 . . . . 23 ILE CG1 . 10316 1 192 . 1 1 23 23 ILE CG2 C 13 17.615 0.300 . 1 . . . . 23 ILE CG2 . 10316 1 193 . 1 1 23 23 ILE N N 15 117.395 0.300 . 1 . . . . 23 ILE N . 10316 1 194 . 1 1 24 24 ARG H H 1 7.997 0.030 . 1 . . . . 24 ARG H . 10316 1 195 . 1 1 24 24 ARG HA H 1 4.266 0.030 . 1 . . . . 24 ARG HA . 10316 1 196 . 1 1 24 24 ARG HB2 H 1 1.417 0.030 . 2 . . . . 24 ARG HB2 . 10316 1 197 . 1 1 24 24 ARG HB3 H 1 1.295 0.030 . 2 . . . . 24 ARG HB3 . 10316 1 198 . 1 1 24 24 ARG HD2 H 1 3.019 0.030 . 2 . . . . 24 ARG HD2 . 10316 1 199 . 1 1 24 24 ARG HG2 H 1 1.357 0.030 . 2 . . . . 24 ARG HG2 . 10316 1 200 . 1 1 24 24 ARG HG3 H 1 1.256 0.030 . 2 . . . . 24 ARG HG3 . 10316 1 201 . 1 1 24 24 ARG C C 13 175.606 0.300 . 1 . . . . 24 ARG C . 10316 1 202 . 1 1 24 24 ARG CA C 13 55.024 0.300 . 1 . . . . 24 ARG CA . 10316 1 203 . 1 1 24 24 ARG CB C 13 31.516 0.300 . 1 . . . . 24 ARG CB . 10316 1 204 . 1 1 24 24 ARG CD C 13 43.450 0.300 . 1 . . . . 24 ARG CD . 10316 1 205 . 1 1 24 24 ARG CG C 13 26.923 0.300 . 1 . . . . 24 ARG CG . 10316 1 206 . 1 1 24 24 ARG N N 15 125.820 0.300 . 1 . . . . 24 ARG N . 10316 1 207 . 1 1 25 25 GLY H H 1 7.801 0.030 . 1 . . . . 25 GLY H . 10316 1 208 . 1 1 25 25 GLY HA2 H 1 3.942 0.030 . 2 . . . . 25 GLY HA2 . 10316 1 209 . 1 1 25 25 GLY HA3 H 1 3.665 0.030 . 2 . . . . 25 GLY HA3 . 10316 1 210 . 1 1 25 25 GLY C C 13 171.855 0.300 . 1 . . . . 25 GLY C . 10316 1 211 . 1 1 25 25 GLY CA C 13 44.901 0.300 . 1 . . . . 25 GLY CA . 10316 1 212 . 1 1 25 25 GLY N N 15 109.031 0.300 . 1 . . . . 25 GLY N . 10316 1 213 . 1 1 26 26 TRP H H 1 8.588 0.030 . 1 . . . . 26 TRP H . 10316 1 214 . 1 1 26 26 TRP HA H 1 4.878 0.030 . 1 . . . . 26 TRP HA . 10316 1 215 . 1 1 26 26 TRP HB2 H 1 3.084 0.030 . 1 . . . . 26 TRP HB2 . 10316 1 216 . 1 1 26 26 TRP HB3 H 1 3.084 0.030 . 1 . . . . 26 TRP HB3 . 10316 1 217 . 1 1 26 26 TRP HD1 H 1 7.438 0.030 . 1 . . . . 26 TRP HD1 . 10316 1 218 . 1 1 26 26 TRP HE1 H 1 10.358 0.030 . 1 . . . . 26 TRP HE1 . 10316 1 219 . 1 1 26 26 TRP HE3 H 1 7.017 0.030 . 1 . . . . 26 TRP HE3 . 10316 1 220 . 1 1 26 26 TRP HH2 H 1 6.726 0.030 . 1 . . . . 26 TRP HH2 . 10316 1 221 . 1 1 26 26 TRP HZ2 H 1 7.226 0.030 . 1 . . . . 26 TRP HZ2 . 10316 1 222 . 1 1 26 26 TRP HZ3 H 1 6.768 0.030 . 1 . . . . 26 TRP HZ3 . 10316 1 223 . 1 1 26 26 TRP C C 13 177.082 0.300 . 1 . . . . 26 TRP C . 10316 1 224 . 1 1 26 26 TRP CA C 13 56.542 0.300 . 1 . . . . 26 TRP CA . 10316 1 225 . 1 1 26 26 TRP CB C 13 30.976 0.300 . 1 . . . . 26 TRP CB . 10316 1 226 . 1 1 26 26 TRP CD1 C 13 128.243 0.300 . 1 . . . . 26 TRP CD1 . 10316 1 227 . 1 1 26 26 TRP CE3 C 13 119.647 0.300 . 1 . . . . 26 TRP CE3 . 10316 1 228 . 1 1 26 26 TRP CH2 C 13 124.324 0.300 . 1 . . . . 26 TRP CH2 . 10316 1 229 . 1 1 26 26 TRP CZ2 C 13 114.836 0.300 . 1 . . . . 26 TRP CZ2 . 10316 1 230 . 1 1 26 26 TRP CZ3 C 13 123.570 0.300 . 1 . . . . 26 TRP CZ3 . 10316 1 231 . 1 1 26 26 TRP N N 15 120.869 0.300 . 1 . . . . 26 TRP N . 10316 1 232 . 1 1 26 26 TRP NE1 N 15 130.333 0.300 . 1 . . . . 26 TRP NE1 . 10316 1 233 . 1 1 27 27 LYS H H 1 8.695 0.030 . 1 . . . . 27 LYS H . 10316 1 234 . 1 1 27 27 LYS HA H 1 4.799 0.030 . 1 . . . . 27 LYS HA . 10316 1 235 . 1 1 27 27 LYS HB2 H 1 1.786 0.030 . 2 . . . . 27 LYS HB2 . 10316 1 236 . 1 1 27 27 LYS HB3 H 1 1.738 0.030 . 2 . . . . 27 LYS HB3 . 10316 1 237 . 1 1 27 27 LYS HE2 H 1 2.934 0.030 . 2 . . . . 27 LYS HE2 . 10316 1 238 . 1 1 27 27 LYS HG2 H 1 1.405 0.030 . 1 . . . . 27 LYS HG2 . 10316 1 239 . 1 1 27 27 LYS HG3 H 1 1.405 0.030 . 1 . . . . 27 LYS HG3 . 10316 1 240 . 1 1 27 27 LYS C C 13 175.877 0.300 . 1 . . . . 27 LYS C . 10316 1 241 . 1 1 27 27 LYS CA C 13 54.672 0.300 . 1 . . . . 27 LYS CA . 10316 1 242 . 1 1 27 27 LYS CB C 13 35.228 0.300 . 1 . . . . 27 LYS CB . 10316 1 243 . 1 1 27 27 LYS CD C 13 29.081 0.300 . 1 . . . . 27 LYS CD . 10316 1 244 . 1 1 27 27 LYS CE C 13 42.271 0.300 . 1 . . . . 27 LYS CE . 10316 1 245 . 1 1 27 27 LYS CG C 13 24.755 0.300 . 1 . . . . 27 LYS CG . 10316 1 246 . 1 1 27 27 LYS N N 15 122.547 0.300 . 1 . . . . 27 LYS N . 10316 1 247 . 1 1 28 28 SER H H 1 8.988 0.030 . 1 . . . . 28 SER H . 10316 1 248 . 1 1 28 28 SER HA H 1 4.878 0.030 . 1 . . . . 28 SER HA . 10316 1 249 . 1 1 28 28 SER HB2 H 1 3.847 0.030 . 1 . . . . 28 SER HB2 . 10316 1 250 . 1 1 28 28 SER HB3 H 1 3.847 0.030 . 1 . . . . 28 SER HB3 . 10316 1 251 . 1 1 28 28 SER C C 13 175.515 0.300 . 1 . . . . 28 SER C . 10316 1 252 . 1 1 28 28 SER CA C 13 59.188 0.300 . 1 . . . . 28 SER CA . 10316 1 253 . 1 1 28 28 SER CB C 13 62.900 0.300 . 1 . . . . 28 SER CB . 10316 1 254 . 1 1 29 29 ARG H H 1 9.550 0.030 . 1 . . . . 29 ARG H . 10316 1 255 . 1 1 29 29 ARG HA H 1 5.078 0.030 . 1 . . . . 29 ARG HA . 10316 1 256 . 1 1 29 29 ARG HB2 H 1 1.826 0.030 . 2 . . . . 29 ARG HB2 . 10316 1 257 . 1 1 29 29 ARG HB3 H 1 1.987 0.030 . 2 . . . . 29 ARG HB3 . 10316 1 258 . 1 1 29 29 ARG HD2 H 1 2.946 0.030 . 2 . . . . 29 ARG HD2 . 10316 1 259 . 1 1 29 29 ARG HD3 H 1 3.767 0.030 . 2 . . . . 29 ARG HD3 . 10316 1 260 . 1 1 29 29 ARG HG2 H 1 1.735 0.030 . 2 . . . . 29 ARG HG2 . 10316 1 261 . 1 1 29 29 ARG HG3 H 1 1.427 0.030 . 2 . . . . 29 ARG HG3 . 10316 1 262 . 1 1 29 29 ARG C C 13 173.051 0.300 . 1 . . . . 29 ARG C . 10316 1 263 . 1 1 29 29 ARG CA C 13 53.652 0.300 . 1 . . . . 29 ARG CA . 10316 1 264 . 1 1 29 29 ARG CB C 13 34.981 0.300 . 1 . . . . 29 ARG CB . 10316 1 265 . 1 1 29 29 ARG CD C 13 43.983 0.300 . 1 . . . . 29 ARG CD . 10316 1 266 . 1 1 29 29 ARG CG C 13 26.775 0.300 . 1 . . . . 29 ARG CG . 10316 1 267 . 1 1 29 29 ARG N N 15 127.944 0.300 . 1 . . . . 29 ARG N . 10316 1 268 . 1 1 30 30 TRP H H 1 8.378 0.030 . 1 . . . . 30 TRP H . 10316 1 269 . 1 1 30 30 TRP HA H 1 4.614 0.030 . 1 . . . . 30 TRP HA . 10316 1 270 . 1 1 30 30 TRP HB2 H 1 2.906 0.030 . 2 . . . . 30 TRP HB2 . 10316 1 271 . 1 1 30 30 TRP HB3 H 1 2.468 0.030 . 2 . . . . 30 TRP HB3 . 10316 1 272 . 1 1 30 30 TRP HD1 H 1 6.917 0.030 . 1 . . . . 30 TRP HD1 . 10316 1 273 . 1 1 30 30 TRP HE1 H 1 9.867 0.030 . 1 . . . . 30 TRP HE1 . 10316 1 274 . 1 1 30 30 TRP HE3 H 1 7.069 0.030 . 1 . . . . 30 TRP HE3 . 10316 1 275 . 1 1 30 30 TRP HH2 H 1 7.155 0.030 . 1 . . . . 30 TRP HH2 . 10316 1 276 . 1 1 30 30 TRP HZ2 H 1 7.404 0.030 . 1 . . . . 30 TRP HZ2 . 10316 1 277 . 1 1 30 30 TRP HZ3 H 1 6.895 0.030 . 1 . . . . 30 TRP HZ3 . 10316 1 278 . 1 1 30 30 TRP C C 13 174.229 0.300 . 1 . . . . 30 TRP C . 10316 1 279 . 1 1 30 30 TRP CA C 13 56.312 0.300 . 1 . . . . 30 TRP CA . 10316 1 280 . 1 1 30 30 TRP CB C 13 30.130 0.300 . 1 . . . . 30 TRP CB . 10316 1 281 . 1 1 30 30 TRP CH2 C 13 123.598 0.300 . 1 . . . . 30 TRP CH2 . 10316 1 282 . 1 1 30 30 TRP CZ2 C 13 114.220 0.300 . 1 . . . . 30 TRP CZ2 . 10316 1 283 . 1 1 30 30 TRP CZ3 C 13 121.830 0.300 . 1 . . . . 30 TRP CZ3 . 10316 1 284 . 1 1 30 30 TRP N N 15 122.552 0.300 . 1 . . . . 30 TRP N . 10316 1 285 . 1 1 30 30 TRP NE1 N 15 127.612 0.300 . 1 . . . . 30 TRP NE1 . 10316 1 286 . 1 1 31 31 PHE H H 1 8.706 0.030 . 1 . . . . 31 PHE H . 10316 1 287 . 1 1 31 31 PHE HA H 1 5.347 0.030 . 1 . . . . 31 PHE HA . 10316 1 288 . 1 1 31 31 PHE HB2 H 1 3.026 0.030 . 2 . . . . 31 PHE HB2 . 10316 1 289 . 1 1 31 31 PHE HB3 H 1 2.567 0.030 . 2 . . . . 31 PHE HB3 . 10316 1 290 . 1 1 31 31 PHE HD1 H 1 7.077 0.030 . 1 . . . . 31 PHE HD1 . 10316 1 291 . 1 1 31 31 PHE HD2 H 1 7.077 0.030 . 1 . . . . 31 PHE HD2 . 10316 1 292 . 1 1 31 31 PHE HE1 H 1 6.718 0.030 . 1 . . . . 31 PHE HE1 . 10316 1 293 . 1 1 31 31 PHE HE2 H 1 6.718 0.030 . 1 . . . . 31 PHE HE2 . 10316 1 294 . 1 1 31 31 PHE HZ H 1 6.135 0.030 . 1 . . . . 31 PHE HZ . 10316 1 295 . 1 1 31 31 PHE C C 13 175.647 0.300 . 1 . . . . 31 PHE C . 10316 1 296 . 1 1 31 31 PHE CA C 13 56.392 0.300 . 1 . . . . 31 PHE CA . 10316 1 297 . 1 1 31 31 PHE CB C 13 42.719 0.300 . 1 . . . . 31 PHE CB . 10316 1 298 . 1 1 31 31 PHE CD1 C 13 132.202 0.300 . 1 . . . . 31 PHE CD1 . 10316 1 299 . 1 1 31 31 PHE CD2 C 13 132.202 0.300 . 1 . . . . 31 PHE CD2 . 10316 1 300 . 1 1 31 31 PHE CE1 C 13 130.697 0.300 . 1 . . . . 31 PHE CE1 . 10316 1 301 . 1 1 31 31 PHE CE2 C 13 130.697 0.300 . 1 . . . . 31 PHE CE2 . 10316 1 302 . 1 1 31 31 PHE CZ C 13 128.964 0.300 . 1 . . . . 31 PHE CZ . 10316 1 303 . 1 1 31 31 PHE N N 15 126.462 0.300 . 1 . . . . 31 PHE N . 10316 1 304 . 1 1 32 32 PHE H H 1 8.751 0.030 . 1 . . . . 32 PHE H . 10316 1 305 . 1 1 32 32 PHE HA H 1 5.267 0.030 . 1 . . . . 32 PHE HA . 10316 1 306 . 1 1 32 32 PHE HB2 H 1 2.932 0.030 . 2 . . . . 32 PHE HB2 . 10316 1 307 . 1 1 32 32 PHE HB3 H 1 3.105 0.030 . 2 . . . . 32 PHE HB3 . 10316 1 308 . 1 1 32 32 PHE HD1 H 1 7.065 0.030 . 1 . . . . 32 PHE HD1 . 10316 1 309 . 1 1 32 32 PHE HD2 H 1 7.065 0.030 . 1 . . . . 32 PHE HD2 . 10316 1 310 . 1 1 32 32 PHE HE1 H 1 7.202 0.030 . 1 . . . . 32 PHE HE1 . 10316 1 311 . 1 1 32 32 PHE HE2 H 1 7.202 0.030 . 1 . . . . 32 PHE HE2 . 10316 1 312 . 1 1 32 32 PHE HZ H 1 6.927 0.030 . 1 . . . . 32 PHE HZ . 10316 1 313 . 1 1 32 32 PHE C C 13 172.902 0.300 . 1 . . . . 32 PHE C . 10316 1 314 . 1 1 32 32 PHE CA C 13 56.338 0.300 . 1 . . . . 32 PHE CA . 10316 1 315 . 1 1 32 32 PHE CB C 13 40.175 0.300 . 1 . . . . 32 PHE CB . 10316 1 316 . 1 1 32 32 PHE CD1 C 13 133.402 0.300 . 1 . . . . 32 PHE CD1 . 10316 1 317 . 1 1 32 32 PHE CD2 C 13 133.402 0.300 . 1 . . . . 32 PHE CD2 . 10316 1 318 . 1 1 32 32 PHE CE1 C 13 130.907 0.300 . 1 . . . . 32 PHE CE1 . 10316 1 319 . 1 1 32 32 PHE CE2 C 13 130.907 0.300 . 1 . . . . 32 PHE CE2 . 10316 1 320 . 1 1 32 32 PHE CZ C 13 129.489 0.300 . 1 . . . . 32 PHE CZ . 10316 1 321 . 1 1 32 32 PHE N N 15 113.396 0.300 . 1 . . . . 32 PHE N . 10316 1 322 . 1 1 33 33 TYR H H 1 8.358 0.030 . 1 . . . . 33 TYR H . 10316 1 323 . 1 1 33 33 TYR HA H 1 5.096 0.030 . 1 . . . . 33 TYR HA . 10316 1 324 . 1 1 33 33 TYR HB2 H 1 3.159 0.030 . 2 . . . . 33 TYR HB2 . 10316 1 325 . 1 1 33 33 TYR HB3 H 1 2.807 0.030 . 2 . . . . 33 TYR HB3 . 10316 1 326 . 1 1 33 33 TYR HD1 H 1 6.925 0.030 . 1 . . . . 33 TYR HD1 . 10316 1 327 . 1 1 33 33 TYR HD2 H 1 6.925 0.030 . 1 . . . . 33 TYR HD2 . 10316 1 328 . 1 1 33 33 TYR HE1 H 1 6.629 0.030 . 1 . . . . 33 TYR HE1 . 10316 1 329 . 1 1 33 33 TYR HE2 H 1 6.629 0.030 . 1 . . . . 33 TYR HE2 . 10316 1 330 . 1 1 33 33 TYR C C 13 173.969 0.300 . 1 . . . . 33 TYR C . 10316 1 331 . 1 1 33 33 TYR CA C 13 57.199 0.300 . 1 . . . . 33 TYR CA . 10316 1 332 . 1 1 33 33 TYR CB C 13 41.284 0.300 . 1 . . . . 33 TYR CB . 10316 1 333 . 1 1 33 33 TYR CD1 C 13 132.651 0.300 . 1 . . . . 33 TYR CD1 . 10316 1 334 . 1 1 33 33 TYR CD2 C 13 132.651 0.300 . 1 . . . . 33 TYR CD2 . 10316 1 335 . 1 1 33 33 TYR CE1 C 13 118.240 0.300 . 1 . . . . 33 TYR CE1 . 10316 1 336 . 1 1 33 33 TYR CE2 C 13 118.240 0.300 . 1 . . . . 33 TYR CE2 . 10316 1 337 . 1 1 33 33 TYR N N 15 123.329 0.300 . 1 . . . . 33 TYR N . 10316 1 338 . 1 1 34 34 ASP H H 1 8.487 0.030 . 1 . . . . 34 ASP H . 10316 1 339 . 1 1 34 34 ASP HA H 1 4.825 0.030 . 1 . . . . 34 ASP HA . 10316 1 340 . 1 1 34 34 ASP HB2 H 1 2.824 0.030 . 2 . . . . 34 ASP HB2 . 10316 1 341 . 1 1 34 34 ASP HB3 H 1 2.577 0.030 . 2 . . . . 34 ASP HB3 . 10316 1 342 . 1 1 34 34 ASP C C 13 175.023 0.300 . 1 . . . . 34 ASP C . 10316 1 343 . 1 1 34 34 ASP CA C 13 52.943 0.300 . 1 . . . . 34 ASP CA . 10316 1 344 . 1 1 34 34 ASP CB C 13 43.766 0.300 . 1 . . . . 34 ASP CB . 10316 1 345 . 1 1 34 34 ASP N N 15 128.854 0.300 . 1 . . . . 34 ASP N . 10316 1 346 . 1 1 35 35 GLU H H 1 9.056 0.030 . 1 . . . . 35 GLU H . 10316 1 347 . 1 1 35 35 GLU HA H 1 4.095 0.030 . 1 . . . . 35 GLU HA . 10316 1 348 . 1 1 35 35 GLU HB2 H 1 2.264 0.030 . 1 . . . . 35 GLU HB2 . 10316 1 349 . 1 1 35 35 GLU HB3 H 1 2.264 0.030 . 1 . . . . 35 GLU HB3 . 10316 1 350 . 1 1 35 35 GLU HG2 H 1 2.488 0.030 . 1 . . . . 35 GLU HG2 . 10316 1 351 . 1 1 35 35 GLU HG3 H 1 2.488 0.030 . 1 . . . . 35 GLU HG3 . 10316 1 352 . 1 1 35 35 GLU C C 13 177.553 0.300 . 1 . . . . 35 GLU C . 10316 1 353 . 1 1 35 35 GLU CA C 13 57.655 0.300 . 1 . . . . 35 GLU CA . 10316 1 354 . 1 1 35 35 GLU CB C 13 29.564 0.300 . 1 . . . . 35 GLU CB . 10316 1 355 . 1 1 35 35 GLU CG C 13 35.798 0.300 . 1 . . . . 35 GLU CG . 10316 1 356 . 1 1 35 35 GLU N N 15 125.229 0.300 . 1 . . . . 35 GLU N . 10316 1 357 . 1 1 36 36 ARG H H 1 8.307 0.030 . 1 . . . . 36 ARG H . 10316 1 358 . 1 1 36 36 ARG HA H 1 4.268 0.030 . 1 . . . . 36 ARG HA . 10316 1 359 . 1 1 36 36 ARG HB2 H 1 2.065 0.030 . 2 . . . . 36 ARG HB2 . 10316 1 360 . 1 1 36 36 ARG HB3 H 1 1.952 0.030 . 2 . . . . 36 ARG HB3 . 10316 1 361 . 1 1 36 36 ARG HD2 H 1 3.276 0.030 . 1 . . . . 36 ARG HD2 . 10316 1 362 . 1 1 36 36 ARG HD3 H 1 3.276 0.030 . 1 . . . . 36 ARG HD3 . 10316 1 363 . 1 1 36 36 ARG HG2 H 1 1.798 0.030 . 2 . . . . 36 ARG HG2 . 10316 1 364 . 1 1 36 36 ARG HG3 H 1 1.719 0.030 . 2 . . . . 36 ARG HG3 . 10316 1 365 . 1 1 36 36 ARG C C 13 178.117 0.300 . 1 . . . . 36 ARG C . 10316 1 366 . 1 1 36 36 ARG CA C 13 58.527 0.300 . 1 . . . . 36 ARG CA . 10316 1 367 . 1 1 36 36 ARG CB C 13 29.760 0.300 . 1 . . . . 36 ARG CB . 10316 1 368 . 1 1 36 36 ARG CD C 13 43.231 0.300 . 1 . . . . 36 ARG CD . 10316 1 369 . 1 1 36 36 ARG CG C 13 27.691 0.300 . 1 . . . . 36 ARG CG . 10316 1 370 . 1 1 36 36 ARG N N 15 119.001 0.300 . 1 . . . . 36 ARG N . 10316 1 371 . 1 1 37 37 LYS H H 1 7.347 0.030 . 1 . . . . 37 LYS H . 10316 1 372 . 1 1 37 37 LYS HA H 1 4.437 0.030 . 1 . . . . 37 LYS HA . 10316 1 373 . 1 1 37 37 LYS HB2 H 1 1.927 0.030 . 2 . . . . 37 LYS HB2 . 10316 1 374 . 1 1 37 37 LYS HB3 H 1 1.294 0.030 . 2 . . . . 37 LYS HB3 . 10316 1 375 . 1 1 37 37 LYS HD2 H 1 1.663 0.030 . 1 . . . . 37 LYS HD2 . 10316 1 376 . 1 1 37 37 LYS HD3 H 1 1.663 0.030 . 1 . . . . 37 LYS HD3 . 10316 1 377 . 1 1 37 37 LYS HE2 H 1 2.837 0.030 . 2 . . . . 37 LYS HE2 . 10316 1 378 . 1 1 37 37 LYS HE3 H 1 2.955 0.030 . 2 . . . . 37 LYS HE3 . 10316 1 379 . 1 1 37 37 LYS HG2 H 1 1.397 0.030 . 2 . . . . 37 LYS HG2 . 10316 1 380 . 1 1 37 37 LYS HG3 H 1 1.296 0.030 . 2 . . . . 37 LYS HG3 . 10316 1 381 . 1 1 37 37 LYS C C 13 175.472 0.300 . 1 . . . . 37 LYS C . 10316 1 382 . 1 1 37 37 LYS CA C 13 54.848 0.300 . 1 . . . . 37 LYS CA . 10316 1 383 . 1 1 37 37 LYS CB C 13 34.199 0.300 . 1 . . . . 37 LYS CB . 10316 1 384 . 1 1 37 37 LYS CD C 13 28.979 0.300 . 1 . . . . 37 LYS CD . 10316 1 385 . 1 1 37 37 LYS CE C 13 41.987 0.300 . 1 . . . . 37 LYS CE . 10316 1 386 . 1 1 37 37 LYS CG C 13 25.161 0.300 . 1 . . . . 37 LYS CG . 10316 1 387 . 1 1 37 37 LYS N N 15 113.821 0.300 . 1 . . . . 37 LYS N . 10316 1 388 . 1 1 38 38 CYS H H 1 7.618 0.030 . 1 . . . . 38 CYS H . 10316 1 389 . 1 1 38 38 CYS HA H 1 3.867 0.030 . 1 . . . . 38 CYS HA . 10316 1 390 . 1 1 38 38 CYS HB2 H 1 2.527 0.030 . 2 . . . . 38 CYS HB2 . 10316 1 391 . 1 1 38 38 CYS HB3 H 1 0.807 0.030 . 2 . . . . 38 CYS HB3 . 10316 1 392 . 1 1 38 38 CYS C C 13 172.612 0.300 . 1 . . . . 38 CYS C . 10316 1 393 . 1 1 38 38 CYS CA C 13 59.251 0.300 . 1 . . . . 38 CYS CA . 10316 1 394 . 1 1 38 38 CYS CB C 13 24.358 0.300 . 1 . . . . 38 CYS CB . 10316 1 395 . 1 1 38 38 CYS N N 15 122.290 0.300 . 1 . . . . 38 CYS N . 10316 1 396 . 1 1 39 39 GLN H H 1 6.809 0.030 . 1 . . . . 39 GLN H . 10316 1 397 . 1 1 39 39 GLN HA H 1 4.894 0.030 . 1 . . . . 39 GLN HA . 10316 1 398 . 1 1 39 39 GLN HB2 H 1 1.319 0.030 . 1 . . . . 39 GLN HB2 . 10316 1 399 . 1 1 39 39 GLN HB3 H 1 1.319 0.030 . 1 . . . . 39 GLN HB3 . 10316 1 400 . 1 1 39 39 GLN HE21 H 1 7.057 0.030 . 2 . . . . 39 GLN HE21 . 10316 1 401 . 1 1 39 39 GLN HE22 H 1 6.557 0.030 . 2 . . . . 39 GLN HE22 . 10316 1 402 . 1 1 39 39 GLN HG2 H 1 1.956 0.030 . 2 . . . . 39 GLN HG2 . 10316 1 403 . 1 1 39 39 GLN HG3 H 1 1.921 0.030 . 2 . . . . 39 GLN HG3 . 10316 1 404 . 1 1 39 39 GLN C C 13 172.856 0.300 . 1 . . . . 39 GLN C . 10316 1 405 . 1 1 39 39 GLN CA C 13 53.402 0.300 . 1 . . . . 39 GLN CA . 10316 1 406 . 1 1 39 39 GLN CB C 13 32.802 0.300 . 1 . . . . 39 GLN CB . 10316 1 407 . 1 1 39 39 GLN CG C 13 33.441 0.300 . 1 . . . . 39 GLN CG . 10316 1 408 . 1 1 39 39 GLN N N 15 114.452 0.300 . 1 . . . . 39 GLN N . 10316 1 409 . 1 1 39 39 GLN NE2 N 15 110.691 0.300 . 1 . . . . 39 GLN NE2 . 10316 1 410 . 1 1 40 40 LEU H H 1 9.075 0.030 . 1 . . . . 40 LEU H . 10316 1 411 . 1 1 40 40 LEU HA H 1 4.932 0.030 . 1 . . . . 40 LEU HA . 10316 1 412 . 1 1 40 40 LEU HB2 H 1 2.186 0.030 . 2 . . . . 40 LEU HB2 . 10316 1 413 . 1 1 40 40 LEU HB3 H 1 1.346 0.030 . 2 . . . . 40 LEU HB3 . 10316 1 414 . 1 1 40 40 LEU HD11 H 1 1.178 0.030 . 1 . . . . 40 LEU HD1 . 10316 1 415 . 1 1 40 40 LEU HD12 H 1 1.178 0.030 . 1 . . . . 40 LEU HD1 . 10316 1 416 . 1 1 40 40 LEU HD13 H 1 1.178 0.030 . 1 . . . . 40 LEU HD1 . 10316 1 417 . 1 1 40 40 LEU HD21 H 1 0.858 0.030 . 1 . . . . 40 LEU HD2 . 10316 1 418 . 1 1 40 40 LEU HD22 H 1 0.858 0.030 . 1 . . . . 40 LEU HD2 . 10316 1 419 . 1 1 40 40 LEU HD23 H 1 0.858 0.030 . 1 . . . . 40 LEU HD2 . 10316 1 420 . 1 1 40 40 LEU HG H 1 1.787 0.030 . 1 . . . . 40 LEU HG . 10316 1 421 . 1 1 40 40 LEU C C 13 174.381 0.300 . 1 . . . . 40 LEU C . 10316 1 422 . 1 1 40 40 LEU CA C 13 53.119 0.300 . 1 . . . . 40 LEU CA . 10316 1 423 . 1 1 40 40 LEU CB C 13 45.232 0.300 . 1 . . . . 40 LEU CB . 10316 1 424 . 1 1 40 40 LEU CD1 C 13 23.581 0.300 . 2 . . . . 40 LEU CD1 . 10316 1 425 . 1 1 40 40 LEU CD2 C 13 25.941 0.300 . 2 . . . . 40 LEU CD2 . 10316 1 426 . 1 1 40 40 LEU CG C 13 27.141 0.300 . 1 . . . . 40 LEU CG . 10316 1 427 . 1 1 40 40 LEU N N 15 124.347 0.300 . 1 . . . . 40 LEU N . 10316 1 428 . 1 1 41 41 TYR H H 1 8.703 0.030 . 1 . . . . 41 TYR H . 10316 1 429 . 1 1 41 41 TYR HA H 1 4.771 0.030 . 1 . . . . 41 TYR HA . 10316 1 430 . 1 1 41 41 TYR HB2 H 1 2.164 0.030 . 2 . . . . 41 TYR HB2 . 10316 1 431 . 1 1 41 41 TYR HB3 H 1 1.307 0.030 . 2 . . . . 41 TYR HB3 . 10316 1 432 . 1 1 41 41 TYR HD1 H 1 6.818 0.030 . 1 . . . . 41 TYR HD1 . 10316 1 433 . 1 1 41 41 TYR HD2 H 1 6.818 0.030 . 1 . . . . 41 TYR HD2 . 10316 1 434 . 1 1 41 41 TYR HE1 H 1 6.735 0.030 . 1 . . . . 41 TYR HE1 . 10316 1 435 . 1 1 41 41 TYR HE2 H 1 6.735 0.030 . 1 . . . . 41 TYR HE2 . 10316 1 436 . 1 1 41 41 TYR C C 13 175.580 0.300 . 1 . . . . 41 TYR C . 10316 1 437 . 1 1 41 41 TYR CA C 13 57.159 0.300 . 1 . . . . 41 TYR CA . 10316 1 438 . 1 1 41 41 TYR CB C 13 41.600 0.300 . 1 . . . . 41 TYR CB . 10316 1 439 . 1 1 41 41 TYR CD1 C 13 133.133 0.300 . 1 . . . . 41 TYR CD1 . 10316 1 440 . 1 1 41 41 TYR CD2 C 13 133.133 0.300 . 1 . . . . 41 TYR CD2 . 10316 1 441 . 1 1 41 41 TYR CE1 C 13 118.304 0.300 . 1 . . . . 41 TYR CE1 . 10316 1 442 . 1 1 41 41 TYR CE2 C 13 118.304 0.300 . 1 . . . . 41 TYR CE2 . 10316 1 443 . 1 1 41 41 TYR N N 15 126.247 0.300 . 1 . . . . 41 TYR N . 10316 1 444 . 1 1 42 42 TYR H H 1 7.207 0.030 . 1 . . . . 42 TYR H . 10316 1 445 . 1 1 42 42 TYR HA H 1 5.779 0.030 . 1 . . . . 42 TYR HA . 10316 1 446 . 1 1 42 42 TYR HB2 H 1 1.797 0.030 . 2 . . . . 42 TYR HB2 . 10316 1 447 . 1 1 42 42 TYR HB3 H 1 1.389 0.030 . 2 . . . . 42 TYR HB3 . 10316 1 448 . 1 1 42 42 TYR HD1 H 1 6.396 0.030 . 1 . . . . 42 TYR HD1 . 10316 1 449 . 1 1 42 42 TYR HD2 H 1 6.396 0.030 . 1 . . . . 42 TYR HD2 . 10316 1 450 . 1 1 42 42 TYR HE1 H 1 6.618 0.030 . 1 . . . . 42 TYR HE1 . 10316 1 451 . 1 1 42 42 TYR HE2 H 1 6.618 0.030 . 1 . . . . 42 TYR HE2 . 10316 1 452 . 1 1 42 42 TYR C C 13 174.229 0.300 . 1 . . . . 42 TYR C . 10316 1 453 . 1 1 42 42 TYR CA C 13 55.686 0.300 . 1 . . . . 42 TYR CA . 10316 1 454 . 1 1 42 42 TYR CB C 13 39.060 0.300 . 1 . . . . 42 TYR CB . 10316 1 455 . 1 1 42 42 TYR CD1 C 13 133.439 0.300 . 1 . . . . 42 TYR CD1 . 10316 1 456 . 1 1 42 42 TYR CD2 C 13 133.439 0.300 . 1 . . . . 42 TYR CD2 . 10316 1 457 . 1 1 42 42 TYR CE1 C 13 118.561 0.300 . 1 . . . . 42 TYR CE1 . 10316 1 458 . 1 1 42 42 TYR CE2 C 13 118.561 0.300 . 1 . . . . 42 TYR CE2 . 10316 1 459 . 1 1 42 42 TYR N N 15 109.501 0.300 . 1 . . . . 42 TYR N . 10316 1 460 . 1 1 43 43 SER H H 1 10.012 0.030 . 1 . . . . 43 SER H . 10316 1 461 . 1 1 43 43 SER HA H 1 4.892 0.030 . 1 . . . . 43 SER HA . 10316 1 462 . 1 1 43 43 SER HB2 H 1 4.422 0.030 . 2 . . . . 43 SER HB2 . 10316 1 463 . 1 1 43 43 SER HB3 H 1 3.955 0.030 . 2 . . . . 43 SER HB3 . 10316 1 464 . 1 1 43 43 SER C C 13 174.327 0.300 . 1 . . . . 43 SER C . 10316 1 465 . 1 1 43 43 SER CA C 13 56.991 0.300 . 1 . . . . 43 SER CA . 10316 1 466 . 1 1 43 43 SER CB C 13 67.630 0.300 . 1 . . . . 43 SER CB . 10316 1 467 . 1 1 43 43 SER N N 15 117.281 0.300 . 1 . . . . 43 SER N . 10316 1 468 . 1 1 44 44 ARG H H 1 9.267 0.030 . 1 . . . . 44 ARG H . 10316 1 469 . 1 1 44 44 ARG HA H 1 4.306 0.030 . 1 . . . . 44 ARG HA . 10316 1 470 . 1 1 44 44 ARG HB2 H 1 2.186 0.030 . 2 . . . . 44 ARG HB2 . 10316 1 471 . 1 1 44 44 ARG HB3 H 1 2.137 0.030 . 2 . . . . 44 ARG HB3 . 10316 1 472 . 1 1 44 44 ARG HD2 H 1 3.370 0.030 . 1 . . . . 44 ARG HD2 . 10316 1 473 . 1 1 44 44 ARG HD3 H 1 3.370 0.030 . 1 . . . . 44 ARG HD3 . 10316 1 474 . 1 1 44 44 ARG HG2 H 1 1.920 0.030 . 2 . . . . 44 ARG HG2 . 10316 1 475 . 1 1 44 44 ARG HG3 H 1 1.728 0.030 . 2 . . . . 44 ARG HG3 . 10316 1 476 . 1 1 44 44 ARG C C 13 177.082 0.300 . 1 . . . . 44 ARG C . 10316 1 477 . 1 1 44 44 ARG CA C 13 61.287 0.300 . 1 . . . . 44 ARG CA . 10316 1 478 . 1 1 44 44 ARG CB C 13 30.870 0.300 . 1 . . . . 44 ARG CB . 10316 1 479 . 1 1 44 44 ARG CD C 13 43.287 0.300 . 1 . . . . 44 ARG CD . 10316 1 480 . 1 1 44 44 ARG CG C 13 29.348 0.300 . 1 . . . . 44 ARG CG . 10316 1 481 . 1 1 44 44 ARG N N 15 120.961 0.300 . 1 . . . . 44 ARG N . 10316 1 482 . 1 1 45 45 THR H H 1 7.828 0.030 . 1 . . . . 45 THR H . 10316 1 483 . 1 1 45 45 THR HA H 1 4.969 0.030 . 1 . . . . 45 THR HA . 10316 1 484 . 1 1 45 45 THR HB H 1 4.463 0.030 . 1 . . . . 45 THR HB . 10316 1 485 . 1 1 45 45 THR HG21 H 1 1.284 0.030 . 1 . . . . 45 THR HG2 . 10316 1 486 . 1 1 45 45 THR HG22 H 1 1.284 0.030 . 1 . . . . 45 THR HG2 . 10316 1 487 . 1 1 45 45 THR HG23 H 1 1.284 0.030 . 1 . . . . 45 THR HG2 . 10316 1 488 . 1 1 45 45 THR C C 13 173.627 0.300 . 1 . . . . 45 THR C . 10316 1 489 . 1 1 45 45 THR CA C 13 59.539 0.300 . 1 . . . . 45 THR CA . 10316 1 490 . 1 1 45 45 THR CB C 13 73.479 0.300 . 1 . . . . 45 THR CB . 10316 1 491 . 1 1 45 45 THR CG2 C 13 21.532 0.300 . 1 . . . . 45 THR CG2 . 10316 1 492 . 1 1 45 45 THR N N 15 104.099 0.300 . 1 . . . . 45 THR N . 10316 1 493 . 1 1 46 46 ALA H H 1 7.617 0.030 . 1 . . . . 46 ALA H . 10316 1 494 . 1 1 46 46 ALA HA H 1 2.167 0.030 . 1 . . . . 46 ALA HA . 10316 1 495 . 1 1 46 46 ALA HB1 H 1 -0.063 0.030 . 1 . . . . 46 ALA HB . 10316 1 496 . 1 1 46 46 ALA HB2 H 1 -0.063 0.030 . 1 . . . . 46 ALA HB . 10316 1 497 . 1 1 46 46 ALA HB3 H 1 -0.063 0.030 . 1 . . . . 46 ALA HB . 10316 1 498 . 1 1 46 46 ALA C C 13 177.722 0.300 . 1 . . . . 46 ALA C . 10316 1 499 . 1 1 46 46 ALA CA C 13 53.426 0.300 . 1 . . . . 46 ALA CA . 10316 1 500 . 1 1 46 46 ALA CB C 13 16.646 0.300 . 1 . . . . 46 ALA CB . 10316 1 501 . 1 1 46 46 ALA N N 15 121.238 0.300 . 1 . . . . 46 ALA N . 10316 1 502 . 1 1 47 47 GLN H H 1 7.446 0.030 . 1 . . . . 47 GLN H . 10316 1 503 . 1 1 47 47 GLN HA H 1 4.008 0.030 . 1 . . . . 47 GLN HA . 10316 1 504 . 1 1 47 47 GLN HB2 H 1 2.025 0.030 . 2 . . . . 47 GLN HB2 . 10316 1 505 . 1 1 47 47 GLN HB3 H 1 1.817 0.030 . 2 . . . . 47 GLN HB3 . 10316 1 506 . 1 1 47 47 GLN HE21 H 1 6.747 0.030 . 2 . . . . 47 GLN HE21 . 10316 1 507 . 1 1 47 47 GLN HE22 H 1 7.437 0.030 . 2 . . . . 47 GLN HE22 . 10316 1 508 . 1 1 47 47 GLN HG2 H 1 2.300 0.030 . 2 . . . . 47 GLN HG2 . 10316 1 509 . 1 1 47 47 GLN HG3 H 1 2.147 0.030 . 2 . . . . 47 GLN HG3 . 10316 1 510 . 1 1 47 47 GLN C C 13 175.455 0.300 . 1 . . . . 47 GLN C . 10316 1 511 . 1 1 47 47 GLN CA C 13 56.374 0.300 . 1 . . . . 47 GLN CA . 10316 1 512 . 1 1 47 47 GLN CB C 13 28.609 0.300 . 1 . . . . 47 GLN CB . 10316 1 513 . 1 1 47 47 GLN CG C 13 34.570 0.300 . 1 . . . . 47 GLN CG . 10316 1 514 . 1 1 47 47 GLN N N 15 113.626 0.300 . 1 . . . . 47 GLN N . 10316 1 515 . 1 1 47 47 GLN NE2 N 15 112.267 0.300 . 1 . . . . 47 GLN NE2 . 10316 1 516 . 1 1 48 48 ASP H H 1 7.183 0.030 . 1 . . . . 48 ASP H . 10316 1 517 . 1 1 48 48 ASP HA H 1 4.477 0.030 . 1 . . . . 48 ASP HA . 10316 1 518 . 1 1 48 48 ASP HB2 H 1 2.598 0.030 . 2 . . . . 48 ASP HB2 . 10316 1 519 . 1 1 48 48 ASP HB3 H 1 2.902 0.030 . 2 . . . . 48 ASP HB3 . 10316 1 520 . 1 1 48 48 ASP C C 13 175.925 0.300 . 1 . . . . 48 ASP C . 10316 1 521 . 1 1 48 48 ASP CA C 13 54.142 0.300 . 1 . . . . 48 ASP CA . 10316 1 522 . 1 1 48 48 ASP CB C 13 41.302 0.300 . 1 . . . . 48 ASP CB . 10316 1 523 . 1 1 48 48 ASP N N 15 121.363 0.300 . 1 . . . . 48 ASP N . 10316 1 524 . 1 1 49 49 ALA H H 1 8.428 0.030 . 1 . . . . 49 ALA H . 10316 1 525 . 1 1 49 49 ALA HA H 1 4.175 0.030 . 1 . . . . 49 ALA HA . 10316 1 526 . 1 1 49 49 ALA HB1 H 1 1.274 0.030 . 1 . . . . 49 ALA HB . 10316 1 527 . 1 1 49 49 ALA HB2 H 1 1.274 0.030 . 1 . . . . 49 ALA HB . 10316 1 528 . 1 1 49 49 ALA HB3 H 1 1.274 0.030 . 1 . . . . 49 ALA HB . 10316 1 529 . 1 1 49 49 ALA CA C 13 53.063 0.300 . 1 . . . . 49 ALA CA . 10316 1 530 . 1 1 49 49 ALA CB C 13 18.873 0.300 . 1 . . . . 49 ALA CB . 10316 1 531 . 1 1 49 49 ALA N N 15 125.538 0.300 . 1 . . . . 49 ALA N . 10316 1 532 . 1 1 50 50 ASN H H 1 8.027 0.030 . 1 . . . . 50 ASN H . 10316 1 533 . 1 1 50 50 ASN HA H 1 5.067 0.030 . 1 . . . . 50 ASN HA . 10316 1 534 . 1 1 50 50 ASN HB2 H 1 2.696 0.030 . 1 . . . . 50 ASN HB2 . 10316 1 535 . 1 1 50 50 ASN HB3 H 1 2.696 0.030 . 1 . . . . 50 ASN HB3 . 10316 1 536 . 1 1 50 50 ASN HD21 H 1 7.708 0.030 . 2 . . . . 50 ASN HD21 . 10316 1 537 . 1 1 50 50 ASN HD22 H 1 6.936 0.030 . 2 . . . . 50 ASN HD22 . 10316 1 538 . 1 1 50 50 ASN CA C 13 50.520 0.300 . 1 . . . . 50 ASN CA . 10316 1 539 . 1 1 50 50 ASN CB C 13 39.585 0.300 . 1 . . . . 50 ASN CB . 10316 1 540 . 1 1 50 50 ASN N N 15 116.758 0.300 . 1 . . . . 50 ASN N . 10316 1 541 . 1 1 50 50 ASN ND2 N 15 114.500 0.300 . 1 . . . . 50 ASN ND2 . 10316 1 542 . 1 1 51 51 PRO HA H 1 4.566 0.030 . 1 . . . . 51 PRO HA . 10316 1 543 . 1 1 51 51 PRO HB2 H 1 2.136 0.030 . 2 . . . . 51 PRO HB2 . 10316 1 544 . 1 1 51 51 PRO HB3 H 1 1.956 0.030 . 2 . . . . 51 PRO HB3 . 10316 1 545 . 1 1 51 51 PRO HD2 H 1 3.666 0.030 . 2 . . . . 51 PRO HD2 . 10316 1 546 . 1 1 51 51 PRO HD3 H 1 3.986 0.030 . 2 . . . . 51 PRO HD3 . 10316 1 547 . 1 1 51 51 PRO HG2 H 1 1.852 0.030 . 2 . . . . 51 PRO HG2 . 10316 1 548 . 1 1 51 51 PRO HG3 H 1 1.713 0.030 . 2 . . . . 51 PRO HG3 . 10316 1 549 . 1 1 51 51 PRO C C 13 177.357 0.300 . 1 . . . . 51 PRO C . 10316 1 550 . 1 1 51 51 PRO CA C 13 62.604 0.300 . 1 . . . . 51 PRO CA . 10316 1 551 . 1 1 51 51 PRO CB C 13 32.679 0.300 . 1 . . . . 51 PRO CB . 10316 1 552 . 1 1 51 51 PRO CD C 13 50.834 0.300 . 1 . . . . 51 PRO CD . 10316 1 553 . 1 1 51 51 PRO CG C 13 27.531 0.300 . 1 . . . . 51 PRO CG . 10316 1 554 . 1 1 52 52 LEU H H 1 9.526 0.030 . 1 . . . . 52 LEU H . 10316 1 555 . 1 1 52 52 LEU HA H 1 4.169 0.030 . 1 . . . . 52 LEU HA . 10316 1 556 . 1 1 52 52 LEU HB2 H 1 1.328 0.030 . 2 . . . . 52 LEU HB2 . 10316 1 557 . 1 1 52 52 LEU HB3 H 1 1.288 0.030 . 2 . . . . 52 LEU HB3 . 10316 1 558 . 1 1 52 52 LEU HD11 H 1 0.928 0.030 . 1 . . . . 52 LEU HD1 . 10316 1 559 . 1 1 52 52 LEU HD12 H 1 0.928 0.030 . 1 . . . . 52 LEU HD1 . 10316 1 560 . 1 1 52 52 LEU HD13 H 1 0.928 0.030 . 1 . . . . 52 LEU HD1 . 10316 1 561 . 1 1 52 52 LEU HD21 H 1 0.949 0.030 . 1 . . . . 52 LEU HD2 . 10316 1 562 . 1 1 52 52 LEU HD22 H 1 0.949 0.030 . 1 . . . . 52 LEU HD2 . 10316 1 563 . 1 1 52 52 LEU HD23 H 1 0.949 0.030 . 1 . . . . 52 LEU HD2 . 10316 1 564 . 1 1 52 52 LEU HG H 1 1.835 0.030 . 1 . . . . 52 LEU HG . 10316 1 565 . 1 1 52 52 LEU C C 13 176.962 0.300 . 1 . . . . 52 LEU C . 10316 1 566 . 1 1 52 52 LEU CA C 13 55.985 0.300 . 1 . . . . 52 LEU CA . 10316 1 567 . 1 1 52 52 LEU CB C 13 43.408 0.300 . 1 . . . . 52 LEU CB . 10316 1 568 . 1 1 52 52 LEU CD1 C 13 25.456 0.300 . 2 . . . . 52 LEU CD1 . 10316 1 569 . 1 1 52 52 LEU CD2 C 13 23.052 0.300 . 2 . . . . 52 LEU CD2 . 10316 1 570 . 1 1 52 52 LEU CG C 13 27.355 0.300 . 1 . . . . 52 LEU CG . 10316 1 571 . 1 1 52 52 LEU N N 15 122.181 0.300 . 1 . . . . 52 LEU N . 10316 1 572 . 1 1 53 53 ASP H H 1 7.207 0.030 . 1 . . . . 53 ASP H . 10316 1 573 . 1 1 53 53 ASP HA H 1 4.460 0.030 . 1 . . . . 53 ASP HA . 10316 1 574 . 1 1 53 53 ASP HB2 H 1 2.488 0.030 . 2 . . . . 53 ASP HB2 . 10316 1 575 . 1 1 53 53 ASP HB3 H 1 1.845 0.030 . 2 . . . . 53 ASP HB3 . 10316 1 576 . 1 1 53 53 ASP C C 13 172.859 0.300 . 1 . . . . 53 ASP C . 10316 1 577 . 1 1 53 53 ASP CA C 13 52.061 0.300 . 1 . . . . 53 ASP CA . 10316 1 578 . 1 1 53 53 ASP CB C 13 42.820 0.300 . 1 . . . . 53 ASP CB . 10316 1 579 . 1 1 53 53 ASP N N 15 113.985 0.300 . 1 . . . . 53 ASP N . 10316 1 580 . 1 1 54 54 SER H H 1 8.584 0.030 . 1 . . . . 54 SER H . 10316 1 581 . 1 1 54 54 SER HA H 1 4.838 0.030 . 1 . . . . 54 SER HA . 10316 1 582 . 1 1 54 54 SER HB2 H 1 3.418 0.030 . 2 . . . . 54 SER HB2 . 10316 1 583 . 1 1 54 54 SER HB3 H 1 3.088 0.030 . 2 . . . . 54 SER HB3 . 10316 1 584 . 1 1 54 54 SER C C 13 172.632 0.300 . 1 . . . . 54 SER C . 10316 1 585 . 1 1 54 54 SER CA C 13 56.762 0.300 . 1 . . . . 54 SER CA . 10316 1 586 . 1 1 54 54 SER CB C 13 66.265 0.300 . 1 . . . . 54 SER CB . 10316 1 587 . 1 1 54 54 SER N N 15 112.130 0.300 . 1 . . . . 54 SER N . 10316 1 588 . 1 1 55 55 ILE H H 1 8.774 0.030 . 1 . . . . 55 ILE H . 10316 1 589 . 1 1 55 55 ILE HA H 1 4.249 0.030 . 1 . . . . 55 ILE HA . 10316 1 590 . 1 1 55 55 ILE HB H 1 1.837 0.030 . 1 . . . . 55 ILE HB . 10316 1 591 . 1 1 55 55 ILE HD11 H 1 0.916 0.030 . 1 . . . . 55 ILE HD1 . 10316 1 592 . 1 1 55 55 ILE HD12 H 1 0.916 0.030 . 1 . . . . 55 ILE HD1 . 10316 1 593 . 1 1 55 55 ILE HD13 H 1 0.916 0.030 . 1 . . . . 55 ILE HD1 . 10316 1 594 . 1 1 55 55 ILE HG12 H 1 1.575 0.030 . 2 . . . . 55 ILE HG12 . 10316 1 595 . 1 1 55 55 ILE HG13 H 1 1.017 0.030 . 2 . . . . 55 ILE HG13 . 10316 1 596 . 1 1 55 55 ILE HG21 H 1 0.777 0.030 . 1 . . . . 55 ILE HG2 . 10316 1 597 . 1 1 55 55 ILE HG22 H 1 0.777 0.030 . 1 . . . . 55 ILE HG2 . 10316 1 598 . 1 1 55 55 ILE HG23 H 1 0.777 0.030 . 1 . . . . 55 ILE HG2 . 10316 1 599 . 1 1 55 55 ILE C C 13 174.669 0.300 . 1 . . . . 55 ILE C . 10316 1 600 . 1 1 55 55 ILE CA C 13 59.841 0.300 . 1 . . . . 55 ILE CA . 10316 1 601 . 1 1 55 55 ILE CB C 13 41.512 0.300 . 1 . . . . 55 ILE CB . 10316 1 602 . 1 1 55 55 ILE CD1 C 13 14.934 0.300 . 1 . . . . 55 ILE CD1 . 10316 1 603 . 1 1 55 55 ILE CG1 C 13 27.558 0.300 . 1 . . . . 55 ILE CG1 . 10316 1 604 . 1 1 55 55 ILE CG2 C 13 18.348 0.300 . 1 . . . . 55 ILE CG2 . 10316 1 605 . 1 1 55 55 ILE N N 15 121.816 0.300 . 1 . . . . 55 ILE N . 10316 1 606 . 1 1 56 56 ASP H H 1 8.634 0.030 . 1 . . . . 56 ASP H . 10316 1 607 . 1 1 56 56 ASP HA H 1 4.528 0.030 . 1 . . . . 56 ASP HA . 10316 1 608 . 1 1 56 56 ASP HB2 H 1 2.886 0.030 . 2 . . . . 56 ASP HB2 . 10316 1 609 . 1 1 56 56 ASP HB3 H 1 2.727 0.030 . 2 . . . . 56 ASP HB3 . 10316 1 610 . 1 1 56 56 ASP C C 13 176.973 0.300 . 1 . . . . 56 ASP C . 10316 1 611 . 1 1 56 56 ASP CA C 13 54.231 0.300 . 1 . . . . 56 ASP CA . 10316 1 612 . 1 1 56 56 ASP CB C 13 40.901 0.300 . 1 . . . . 56 ASP CB . 10316 1 613 . 1 1 56 56 ASP N N 15 127.909 0.300 . 1 . . . . 56 ASP N . 10316 1 614 . 1 1 57 57 LEU H H 1 8.547 0.030 . 1 . . . . 57 LEU H . 10316 1 615 . 1 1 57 57 LEU HA H 1 4.477 0.030 . 1 . . . . 57 LEU HA . 10316 1 616 . 1 1 57 57 LEU HB2 H 1 2.216 0.030 . 2 . . . . 57 LEU HB2 . 10316 1 617 . 1 1 57 57 LEU HB3 H 1 1.697 0.030 . 2 . . . . 57 LEU HB3 . 10316 1 618 . 1 1 57 57 LEU HD11 H 1 1.018 0.030 . 1 . . . . 57 LEU HD1 . 10316 1 619 . 1 1 57 57 LEU HD12 H 1 1.018 0.030 . 1 . . . . 57 LEU HD1 . 10316 1 620 . 1 1 57 57 LEU HD13 H 1 1.018 0.030 . 1 . . . . 57 LEU HD1 . 10316 1 621 . 1 1 57 57 LEU HD21 H 1 0.835 0.030 . 1 . . . . 57 LEU HD2 . 10316 1 622 . 1 1 57 57 LEU HD22 H 1 0.835 0.030 . 1 . . . . 57 LEU HD2 . 10316 1 623 . 1 1 57 57 LEU HD23 H 1 0.835 0.030 . 1 . . . . 57 LEU HD2 . 10316 1 624 . 1 1 57 57 LEU HG H 1 1.857 0.030 . 1 . . . . 57 LEU HG . 10316 1 625 . 1 1 57 57 LEU C C 13 178.551 0.300 . 1 . . . . 57 LEU C . 10316 1 626 . 1 1 57 57 LEU CA C 13 54.379 0.300 . 1 . . . . 57 LEU CA . 10316 1 627 . 1 1 57 57 LEU CB C 13 41.970 0.300 . 1 . . . . 57 LEU CB . 10316 1 628 . 1 1 57 57 LEU CD1 C 13 27.740 0.300 . 2 . . . . 57 LEU CD1 . 10316 1 629 . 1 1 57 57 LEU CD2 C 13 23.838 0.300 . 2 . . . . 57 LEU CD2 . 10316 1 630 . 1 1 57 57 LEU CG C 13 26.698 0.300 . 1 . . . . 57 LEU CG . 10316 1 631 . 1 1 57 57 LEU N N 15 125.532 0.300 . 1 . . . . 57 LEU N . 10316 1 632 . 1 1 58 58 SER H H 1 8.775 0.030 . 1 . . . . 58 SER H . 10316 1 633 . 1 1 58 58 SER HA H 1 4.058 0.030 . 1 . . . . 58 SER HA . 10316 1 634 . 1 1 58 58 SER HB2 H 1 4.069 0.030 . 2 . . . . 58 SER HB2 . 10316 1 635 . 1 1 58 58 SER HB3 H 1 3.969 0.030 . 2 . . . . 58 SER HB3 . 10316 1 636 . 1 1 58 58 SER C C 13 176.507 0.300 . 1 . . . . 58 SER C . 10316 1 637 . 1 1 58 58 SER CA C 13 63.433 0.300 . 1 . . . . 58 SER CA . 10316 1 638 . 1 1 58 58 SER CB C 13 62.709 0.300 . 1 . . . . 58 SER CB . 10316 1 639 . 1 1 58 58 SER N N 15 117.470 0.300 . 1 . . . . 58 SER N . 10316 1 640 . 1 1 59 59 SER H H 1 8.476 0.030 . 1 . . . . 59 SER H . 10316 1 641 . 1 1 59 59 SER HA H 1 4.811 0.030 . 1 . . . . 59 SER HA . 10316 1 642 . 1 1 59 59 SER HB2 H 1 4.007 0.030 . 2 . . . . 59 SER HB2 . 10316 1 643 . 1 1 59 59 SER HB3 H 1 3.686 0.030 . 2 . . . . 59 SER HB3 . 10316 1 644 . 1 1 59 59 SER C C 13 173.543 0.300 . 1 . . . . 59 SER C . 10316 1 645 . 1 1 59 59 SER CA C 13 56.665 0.300 . 1 . . . . 59 SER CA . 10316 1 646 . 1 1 59 59 SER CB C 13 63.758 0.300 . 1 . . . . 59 SER CB . 10316 1 647 . 1 1 59 59 SER N N 15 117.179 0.300 . 1 . . . . 59 SER N . 10316 1 648 . 1 1 60 60 ALA H H 1 7.006 0.030 . 1 . . . . 60 ALA H . 10316 1 649 . 1 1 60 60 ALA HA H 1 4.664 0.030 . 1 . . . . 60 ALA HA . 10316 1 650 . 1 1 60 60 ALA HB1 H 1 1.085 0.030 . 1 . . . . 60 ALA HB . 10316 1 651 . 1 1 60 60 ALA HB2 H 1 1.085 0.030 . 1 . . . . 60 ALA HB . 10316 1 652 . 1 1 60 60 ALA HB3 H 1 1.085 0.030 . 1 . . . . 60 ALA HB . 10316 1 653 . 1 1 60 60 ALA C C 13 176.188 0.300 . 1 . . . . 60 ALA C . 10316 1 654 . 1 1 60 60 ALA CA C 13 51.414 0.300 . 1 . . . . 60 ALA CA . 10316 1 655 . 1 1 60 60 ALA CB C 13 21.661 0.300 . 1 . . . . 60 ALA CB . 10316 1 656 . 1 1 60 60 ALA N N 15 122.497 0.300 . 1 . . . . 60 ALA N . 10316 1 657 . 1 1 61 61 VAL H H 1 8.427 0.030 . 1 . . . . 61 VAL H . 10316 1 658 . 1 1 61 61 VAL HA H 1 3.995 0.030 . 1 . . . . 61 VAL HA . 10316 1 659 . 1 1 61 61 VAL HB H 1 1.908 0.030 . 1 . . . . 61 VAL HB . 10316 1 660 . 1 1 61 61 VAL HG11 H 1 0.843 0.030 . 1 . . . . 61 VAL HG1 . 10316 1 661 . 1 1 61 61 VAL HG12 H 1 0.843 0.030 . 1 . . . . 61 VAL HG1 . 10316 1 662 . 1 1 61 61 VAL HG13 H 1 0.843 0.030 . 1 . . . . 61 VAL HG1 . 10316 1 663 . 1 1 61 61 VAL HG21 H 1 0.878 0.030 . 1 . . . . 61 VAL HG2 . 10316 1 664 . 1 1 61 61 VAL HG22 H 1 0.878 0.030 . 1 . . . . 61 VAL HG2 . 10316 1 665 . 1 1 61 61 VAL HG23 H 1 0.878 0.030 . 1 . . . . 61 VAL HG2 . 10316 1 666 . 1 1 61 61 VAL C C 13 174.132 0.300 . 1 . . . . 61 VAL C . 10316 1 667 . 1 1 61 61 VAL CA C 13 60.793 0.300 . 1 . . . . 61 VAL CA . 10316 1 668 . 1 1 61 61 VAL CB C 13 34.693 0.300 . 1 . . . . 61 VAL CB . 10316 1 669 . 1 1 61 61 VAL CG1 C 13 20.573 0.300 . 2 . . . . 61 VAL CG1 . 10316 1 670 . 1 1 61 61 VAL CG2 C 13 21.392 0.300 . 2 . . . . 61 VAL CG2 . 10316 1 671 . 1 1 61 61 VAL N N 15 117.761 0.300 . 1 . . . . 61 VAL N . 10316 1 672 . 1 1 62 62 PHE H H 1 8.436 0.030 . 1 . . . . 62 PHE H . 10316 1 673 . 1 1 62 62 PHE HA H 1 5.587 0.030 . 1 . . . . 62 PHE HA . 10316 1 674 . 1 1 62 62 PHE HB2 H 1 3.037 0.030 . 2 . . . . 62 PHE HB2 . 10316 1 675 . 1 1 62 62 PHE HB3 H 1 2.929 0.030 . 2 . . . . 62 PHE HB3 . 10316 1 676 . 1 1 62 62 PHE HD1 H 1 7.216 0.030 . 1 . . . . 62 PHE HD1 . 10316 1 677 . 1 1 62 62 PHE HD2 H 1 7.216 0.030 . 1 . . . . 62 PHE HD2 . 10316 1 678 . 1 1 62 62 PHE HE1 H 1 7.084 0.030 . 1 . . . . 62 PHE HE1 . 10316 1 679 . 1 1 62 62 PHE HE2 H 1 7.084 0.030 . 1 . . . . 62 PHE HE2 . 10316 1 680 . 1 1 62 62 PHE HZ H 1 6.972 0.030 . 1 . . . . 62 PHE HZ . 10316 1 681 . 1 1 62 62 PHE C C 13 174.998 0.300 . 1 . . . . 62 PHE C . 10316 1 682 . 1 1 62 62 PHE CA C 13 55.235 0.300 . 1 . . . . 62 PHE CA . 10316 1 683 . 1 1 62 62 PHE CB C 13 41.312 0.300 . 1 . . . . 62 PHE CB . 10316 1 684 . 1 1 62 62 PHE CD1 C 13 132.443 0.300 . 1 . . . . 62 PHE CD1 . 10316 1 685 . 1 1 62 62 PHE CD2 C 13 132.443 0.300 . 1 . . . . 62 PHE CD2 . 10316 1 686 . 1 1 62 62 PHE CE1 C 13 130.660 0.300 . 1 . . . . 62 PHE CE1 . 10316 1 687 . 1 1 62 62 PHE CE2 C 13 130.660 0.300 . 1 . . . . 62 PHE CE2 . 10316 1 688 . 1 1 62 62 PHE CZ C 13 128.588 0.300 . 1 . . . . 62 PHE CZ . 10316 1 689 . 1 1 62 62 PHE N N 15 123.476 0.300 . 1 . . . . 62 PHE N . 10316 1 690 . 1 1 63 63 ASP H H 1 8.891 0.030 . 1 . . . . 63 ASP H . 10316 1 691 . 1 1 63 63 ASP HA H 1 5.117 0.030 . 1 . . . . 63 ASP HA . 10316 1 692 . 1 1 63 63 ASP HB2 H 1 2.676 0.030 . 2 . . . . 63 ASP HB2 . 10316 1 693 . 1 1 63 63 ASP HB3 H 1 2.539 0.030 . 2 . . . . 63 ASP HB3 . 10316 1 694 . 1 1 63 63 ASP C C 13 174.931 0.300 . 1 . . . . 63 ASP C . 10316 1 695 . 1 1 63 63 ASP CA C 13 53.497 0.300 . 1 . . . . 63 ASP CA . 10316 1 696 . 1 1 63 63 ASP CB C 13 45.026 0.300 . 1 . . . . 63 ASP CB . 10316 1 697 . 1 1 63 63 ASP N N 15 121.406 0.300 . 1 . . . . 63 ASP N . 10316 1 698 . 1 1 64 64 CYS H H 1 8.817 0.030 . 1 . . . . 64 CYS H . 10316 1 699 . 1 1 64 64 CYS HA H 1 4.771 0.030 . 1 . . . . 64 CYS HA . 10316 1 700 . 1 1 64 64 CYS HB2 H 1 2.946 0.030 . 1 . . . . 64 CYS HB2 . 10316 1 701 . 1 1 64 64 CYS HB3 H 1 2.946 0.030 . 1 . . . . 64 CYS HB3 . 10316 1 702 . 1 1 64 64 CYS C C 13 173.888 0.300 . 1 . . . . 64 CYS C . 10316 1 703 . 1 1 64 64 CYS CA C 13 58.015 0.300 . 1 . . . . 64 CYS CA . 10316 1 704 . 1 1 64 64 CYS CB C 13 29.020 0.300 . 1 . . . . 64 CYS CB . 10316 1 705 . 1 1 64 64 CYS N N 15 120.441 0.300 . 1 . . . . 64 CYS N . 10316 1 706 . 1 1 65 65 LYS H H 1 8.558 0.030 . 1 . . . . 65 LYS H . 10316 1 707 . 1 1 65 65 LYS HA H 1 4.437 0.030 . 1 . . . . 65 LYS HA . 10316 1 708 . 1 1 65 65 LYS HB2 H 1 1.828 0.030 . 2 . . . . 65 LYS HB2 . 10316 1 709 . 1 1 65 65 LYS HB3 H 1 1.560 0.030 . 2 . . . . 65 LYS HB3 . 10316 1 710 . 1 1 65 65 LYS HD2 H 1 1.569 0.030 . 1 . . . . 65 LYS HD2 . 10316 1 711 . 1 1 65 65 LYS HD3 H 1 1.569 0.030 . 1 . . . . 65 LYS HD3 . 10316 1 712 . 1 1 65 65 LYS HE2 H 1 2.895 0.030 . 1 . . . . 65 LYS HE2 . 10316 1 713 . 1 1 65 65 LYS HE3 H 1 2.895 0.030 . 1 . . . . 65 LYS HE3 . 10316 1 714 . 1 1 65 65 LYS HG2 H 1 1.390 0.030 . 2 . . . . 65 LYS HG2 . 10316 1 715 . 1 1 65 65 LYS HG3 H 1 1.317 0.030 . 2 . . . . 65 LYS HG3 . 10316 1 716 . 1 1 65 65 LYS C C 13 176.434 0.300 . 1 . . . . 65 LYS C . 10316 1 717 . 1 1 65 65 LYS CA C 13 55.554 0.300 . 1 . . . . 65 LYS CA . 10316 1 718 . 1 1 65 65 LYS CB C 13 32.884 0.300 . 1 . . . . 65 LYS CB . 10316 1 719 . 1 1 65 65 LYS CD C 13 28.732 0.300 . 1 . . . . 65 LYS CD . 10316 1 720 . 1 1 65 65 LYS CE C 13 42.161 0.300 . 1 . . . . 65 LYS CE . 10316 1 721 . 1 1 65 65 LYS CG C 13 24.903 0.300 . 1 . . . . 65 LYS CG . 10316 1 722 . 1 1 65 65 LYS N N 15 125.525 0.300 . 1 . . . . 65 LYS N . 10316 1 723 . 1 1 66 66 ALA H H 1 8.583 0.030 . 1 . . . . 66 ALA H . 10316 1 724 . 1 1 66 66 ALA HA H 1 4.195 0.030 . 1 . . . . 66 ALA HA . 10316 1 725 . 1 1 66 66 ALA HB1 H 1 1.386 0.030 . 1 . . . . 66 ALA HB . 10316 1 726 . 1 1 66 66 ALA HB2 H 1 1.386 0.030 . 1 . . . . 66 ALA HB . 10316 1 727 . 1 1 66 66 ALA HB3 H 1 1.386 0.030 . 1 . . . . 66 ALA HB . 10316 1 728 . 1 1 66 66 ALA C C 13 177.510 0.300 . 1 . . . . 66 ALA C . 10316 1 729 . 1 1 66 66 ALA CA C 13 53.779 0.300 . 1 . . . . 66 ALA CA . 10316 1 730 . 1 1 66 66 ALA CB C 13 18.838 0.300 . 1 . . . . 66 ALA CB . 10316 1 731 . 1 1 66 66 ALA N N 15 127.351 0.300 . 1 . . . . 66 ALA N . 10316 1 732 . 1 1 67 67 ASP H H 1 8.388 0.030 . 1 . . . . 67 ASP H . 10316 1 733 . 1 1 67 67 ASP HA H 1 4.527 0.030 . 1 . . . . 67 ASP HA . 10316 1 734 . 1 1 67 67 ASP HB2 H 1 2.728 0.030 . 2 . . . . 67 ASP HB2 . 10316 1 735 . 1 1 67 67 ASP HB3 H 1 2.677 0.030 . 2 . . . . 67 ASP HB3 . 10316 1 736 . 1 1 67 67 ASP C C 13 175.599 0.300 . 1 . . . . 67 ASP C . 10316 1 737 . 1 1 67 67 ASP CA C 13 54.002 0.300 . 1 . . . . 67 ASP CA . 10316 1 738 . 1 1 67 67 ASP CB C 13 40.581 0.300 . 1 . . . . 67 ASP CB . 10316 1 739 . 1 1 67 67 ASP N N 15 116.951 0.300 . 1 . . . . 67 ASP N . 10316 1 740 . 1 1 68 68 ALA H H 1 7.820 0.030 . 1 . . . . 68 ALA H . 10316 1 741 . 1 1 68 68 ALA HA H 1 4.379 0.030 . 1 . . . . 68 ALA HA . 10316 1 742 . 1 1 68 68 ALA HB1 H 1 1.454 0.030 . 1 . . . . 68 ALA HB . 10316 1 743 . 1 1 68 68 ALA HB2 H 1 1.454 0.030 . 1 . . . . 68 ALA HB . 10316 1 744 . 1 1 68 68 ALA HB3 H 1 1.454 0.030 . 1 . . . . 68 ALA HB . 10316 1 745 . 1 1 68 68 ALA C C 13 177.875 0.300 . 1 . . . . 68 ALA C . 10316 1 746 . 1 1 68 68 ALA CA C 13 52.614 0.300 . 1 . . . . 68 ALA CA . 10316 1 747 . 1 1 68 68 ALA CB C 13 20.303 0.300 . 1 . . . . 68 ALA CB . 10316 1 748 . 1 1 68 68 ALA N N 15 123.702 0.300 . 1 . . . . 68 ALA N . 10316 1 749 . 1 1 69 69 GLU H H 1 8.387 0.030 . 1 . . . . 69 GLU H . 10316 1 750 . 1 1 69 69 GLU HA H 1 4.177 0.030 . 1 . . . . 69 GLU HA . 10316 1 751 . 1 1 69 69 GLU HB2 H 1 2.057 0.030 . 2 . . . . 69 GLU HB2 . 10316 1 752 . 1 1 69 69 GLU HB3 H 1 1.927 0.030 . 2 . . . . 69 GLU HB3 . 10316 1 753 . 1 1 69 69 GLU HG2 H 1 2.317 0.030 . 2 . . . . 69 GLU HG2 . 10316 1 754 . 1 1 69 69 GLU HG3 H 1 2.267 0.030 . 2 . . . . 69 GLU HG3 . 10316 1 755 . 1 1 69 69 GLU C C 13 176.365 0.300 . 1 . . . . 69 GLU C . 10316 1 756 . 1 1 69 69 GLU CA C 13 57.021 0.300 . 1 . . . . 69 GLU CA . 10316 1 757 . 1 1 69 69 GLU CB C 13 30.171 0.300 . 1 . . . . 69 GLU CB . 10316 1 758 . 1 1 69 69 GLU CG C 13 36.461 0.300 . 1 . . . . 69 GLU CG . 10316 1 759 . 1 1 69 69 GLU N N 15 118.495 0.300 . 1 . . . . 69 GLU N . 10316 1 760 . 1 1 70 70 GLU H H 1 8.108 0.030 . 1 . . . . 70 GLU H . 10316 1 761 . 1 1 70 70 GLU HA H 1 4.178 0.030 . 1 . . . . 70 GLU HA . 10316 1 762 . 1 1 70 70 GLU HB2 H 1 1.937 0.030 . 1 . . . . 70 GLU HB2 . 10316 1 763 . 1 1 70 70 GLU HB3 H 1 1.937 0.030 . 1 . . . . 70 GLU HB3 . 10316 1 764 . 1 1 70 70 GLU HG2 H 1 2.257 0.030 . 2 . . . . 70 GLU HG2 . 10316 1 765 . 1 1 70 70 GLU HG3 H 1 2.141 0.030 . 2 . . . . 70 GLU HG3 . 10316 1 766 . 1 1 70 70 GLU C C 13 177.174 0.300 . 1 . . . . 70 GLU C . 10316 1 767 . 1 1 70 70 GLU CA C 13 56.965 0.300 . 1 . . . . 70 GLU CA . 10316 1 768 . 1 1 70 70 GLU CB C 13 30.752 0.300 . 1 . . . . 70 GLU CB . 10316 1 769 . 1 1 70 70 GLU CG C 13 36.700 0.300 . 1 . . . . 70 GLU CG . 10316 1 770 . 1 1 70 70 GLU N N 15 118.878 0.300 . 1 . . . . 70 GLU N . 10316 1 771 . 1 1 71 71 GLY H H 1 8.787 0.030 . 1 . . . . 71 GLY H . 10316 1 772 . 1 1 71 71 GLY HA2 H 1 3.879 0.030 . 2 . . . . 71 GLY HA2 . 10316 1 773 . 1 1 71 71 GLY HA3 H 1 3.718 0.030 . 2 . . . . 71 GLY HA3 . 10316 1 774 . 1 1 71 71 GLY C C 13 173.900 0.300 . 1 . . . . 71 GLY C . 10316 1 775 . 1 1 71 71 GLY CA C 13 46.524 0.300 . 1 . . . . 71 GLY CA . 10316 1 776 . 1 1 71 71 GLY N N 15 109.191 0.300 . 1 . . . . 71 GLY N . 10316 1 777 . 1 1 72 72 ILE H H 1 7.517 0.030 . 1 . . . . 72 ILE H . 10316 1 778 . 1 1 72 72 ILE HA H 1 5.018 0.030 . 1 . . . . 72 ILE HA . 10316 1 779 . 1 1 72 72 ILE HB H 1 1.678 0.030 . 1 . . . . 72 ILE HB . 10316 1 780 . 1 1 72 72 ILE HD11 H 1 0.897 0.030 . 1 . . . . 72 ILE HD1 . 10316 1 781 . 1 1 72 72 ILE HD12 H 1 0.897 0.030 . 1 . . . . 72 ILE HD1 . 10316 1 782 . 1 1 72 72 ILE HD13 H 1 0.897 0.030 . 1 . . . . 72 ILE HD1 . 10316 1 783 . 1 1 72 72 ILE HG12 H 1 1.445 0.030 . 2 . . . . 72 ILE HG12 . 10316 1 784 . 1 1 72 72 ILE HG13 H 1 0.615 0.030 . 2 . . . . 72 ILE HG13 . 10316 1 785 . 1 1 72 72 ILE HG21 H 1 0.925 0.030 . 1 . . . . 72 ILE HG2 . 10316 1 786 . 1 1 72 72 ILE HG22 H 1 0.925 0.030 . 1 . . . . 72 ILE HG2 . 10316 1 787 . 1 1 72 72 ILE HG23 H 1 0.925 0.030 . 1 . . . . 72 ILE HG2 . 10316 1 788 . 1 1 72 72 ILE C C 13 175.474 0.300 . 1 . . . . 72 ILE C . 10316 1 789 . 1 1 72 72 ILE CA C 13 61.269 0.300 . 1 . . . . 72 ILE CA . 10316 1 790 . 1 1 72 72 ILE CB C 13 38.683 0.300 . 1 . . . . 72 ILE CB . 10316 1 791 . 1 1 72 72 ILE CD1 C 13 14.533 0.300 . 1 . . . . 72 ILE CD1 . 10316 1 792 . 1 1 72 72 ILE CG1 C 13 28.523 0.300 . 1 . . . . 72 ILE CG1 . 10316 1 793 . 1 1 72 72 ILE CG2 C 13 17.715 0.300 . 1 . . . . 72 ILE CG2 . 10316 1 794 . 1 1 72 72 ILE N N 15 121.477 0.300 . 1 . . . . 72 ILE N . 10316 1 795 . 1 1 73 73 PHE H H 1 9.546 0.030 . 1 . . . . 73 PHE H . 10316 1 796 . 1 1 73 73 PHE HA H 1 5.235 0.030 . 1 . . . . 73 PHE HA . 10316 1 797 . 1 1 73 73 PHE HB2 H 1 3.197 0.030 . 2 . . . . 73 PHE HB2 . 10316 1 798 . 1 1 73 73 PHE HB3 H 1 3.055 0.030 . 2 . . . . 73 PHE HB3 . 10316 1 799 . 1 1 73 73 PHE HD1 H 1 7.063 0.030 . 1 . . . . 73 PHE HD1 . 10316 1 800 . 1 1 73 73 PHE HD2 H 1 7.063 0.030 . 1 . . . . 73 PHE HD2 . 10316 1 801 . 1 1 73 73 PHE HE1 H 1 6.636 0.030 . 1 . . . . 73 PHE HE1 . 10316 1 802 . 1 1 73 73 PHE HE2 H 1 6.636 0.030 . 1 . . . . 73 PHE HE2 . 10316 1 803 . 1 1 73 73 PHE HZ H 1 6.348 0.030 . 1 . . . . 73 PHE HZ . 10316 1 804 . 1 1 73 73 PHE C C 13 171.192 0.300 . 1 . . . . 73 PHE C . 10316 1 805 . 1 1 73 73 PHE CA C 13 55.226 0.300 . 1 . . . . 73 PHE CA . 10316 1 806 . 1 1 73 73 PHE CB C 13 41.641 0.300 . 1 . . . . 73 PHE CB . 10316 1 807 . 1 1 73 73 PHE CD1 C 13 133.197 0.300 . 1 . . . . 73 PHE CD1 . 10316 1 808 . 1 1 73 73 PHE CD2 C 13 133.197 0.300 . 1 . . . . 73 PHE CD2 . 10316 1 809 . 1 1 73 73 PHE CE1 C 13 129.471 0.300 . 1 . . . . 73 PHE CE1 . 10316 1 810 . 1 1 73 73 PHE CE2 C 13 129.471 0.300 . 1 . . . . 73 PHE CE2 . 10316 1 811 . 1 1 73 73 PHE CZ C 13 129.250 0.300 . 1 . . . . 73 PHE CZ . 10316 1 812 . 1 1 73 73 PHE N N 15 125.775 0.300 . 1 . . . . 73 PHE N . 10316 1 813 . 1 1 74 74 GLU H H 1 9.050 0.030 . 1 . . . . 74 GLU H . 10316 1 814 . 1 1 74 74 GLU HA H 1 5.305 0.030 . 1 . . . . 74 GLU HA . 10316 1 815 . 1 1 74 74 GLU HB2 H 1 1.840 0.030 . 2 . . . . 74 GLU HB2 . 10316 1 816 . 1 1 74 74 GLU HB3 H 1 1.752 0.030 . 2 . . . . 74 GLU HB3 . 10316 1 817 . 1 1 74 74 GLU HG2 H 1 2.063 0.030 . 1 . . . . 74 GLU HG2 . 10316 1 818 . 1 1 74 74 GLU HG3 H 1 2.063 0.030 . 1 . . . . 74 GLU HG3 . 10316 1 819 . 1 1 74 74 GLU C C 13 175.622 0.300 . 1 . . . . 74 GLU C . 10316 1 820 . 1 1 74 74 GLU CA C 13 54.114 0.300 . 1 . . . . 74 GLU CA . 10316 1 821 . 1 1 74 74 GLU CB C 13 34.570 0.300 . 1 . . . . 74 GLU CB . 10316 1 822 . 1 1 74 74 GLU CG C 13 37.447 0.300 . 1 . . . . 74 GLU CG . 10316 1 823 . 1 1 74 74 GLU N N 15 117.191 0.300 . 1 . . . . 74 GLU N . 10316 1 824 . 1 1 75 75 ILE H H 1 8.816 0.030 . 1 . . . . 75 ILE H . 10316 1 825 . 1 1 75 75 ILE HA H 1 4.522 0.030 . 1 . . . . 75 ILE HA . 10316 1 826 . 1 1 75 75 ILE HB H 1 1.689 0.030 . 1 . . . . 75 ILE HB . 10316 1 827 . 1 1 75 75 ILE HD11 H 1 0.707 0.030 . 1 . . . . 75 ILE HD1 . 10316 1 828 . 1 1 75 75 ILE HD12 H 1 0.707 0.030 . 1 . . . . 75 ILE HD1 . 10316 1 829 . 1 1 75 75 ILE HD13 H 1 0.707 0.030 . 1 . . . . 75 ILE HD1 . 10316 1 830 . 1 1 75 75 ILE HG12 H 1 1.109 0.030 . 2 . . . . 75 ILE HG12 . 10316 1 831 . 1 1 75 75 ILE HG13 H 1 1.637 0.030 . 2 . . . . 75 ILE HG13 . 10316 1 832 . 1 1 75 75 ILE HG21 H 1 0.664 0.030 . 1 . . . . 75 ILE HG2 . 10316 1 833 . 1 1 75 75 ILE HG22 H 1 0.664 0.030 . 1 . . . . 75 ILE HG2 . 10316 1 834 . 1 1 75 75 ILE HG23 H 1 0.664 0.030 . 1 . . . . 75 ILE HG2 . 10316 1 835 . 1 1 75 75 ILE C C 13 174.429 0.300 . 1 . . . . 75 ILE C . 10316 1 836 . 1 1 75 75 ILE CA C 13 60.969 0.300 . 1 . . . . 75 ILE CA . 10316 1 837 . 1 1 75 75 ILE CB C 13 39.873 0.300 . 1 . . . . 75 ILE CB . 10316 1 838 . 1 1 75 75 ILE CD1 C 13 14.686 0.300 . 1 . . . . 75 ILE CD1 . 10316 1 839 . 1 1 75 75 ILE CG1 C 13 26.537 0.300 . 1 . . . . 75 ILE CG1 . 10316 1 840 . 1 1 75 75 ILE CG2 C 13 17.623 0.300 . 1 . . . . 75 ILE CG2 . 10316 1 841 . 1 1 75 75 ILE N N 15 120.799 0.300 . 1 . . . . 75 ILE N . 10316 1 842 . 1 1 76 76 LYS H H 1 9.116 0.030 . 1 . . . . 76 LYS H . 10316 1 843 . 1 1 76 76 LYS HA H 1 4.999 0.030 . 1 . . . . 76 LYS HA . 10316 1 844 . 1 1 76 76 LYS HB2 H 1 1.697 0.030 . 2 . . . . 76 LYS HB2 . 10316 1 845 . 1 1 76 76 LYS HB3 H 1 1.767 0.030 . 2 . . . . 76 LYS HB3 . 10316 1 846 . 1 1 76 76 LYS HD2 H 1 1.575 0.030 . 1 . . . . 76 LYS HD2 . 10316 1 847 . 1 1 76 76 LYS HD3 H 1 1.575 0.030 . 1 . . . . 76 LYS HD3 . 10316 1 848 . 1 1 76 76 LYS HE2 H 1 2.807 0.030 . 1 . . . . 76 LYS HE2 . 10316 1 849 . 1 1 76 76 LYS HE3 H 1 2.807 0.030 . 1 . . . . 76 LYS HE3 . 10316 1 850 . 1 1 76 76 LYS HG2 H 1 1.329 0.030 . 2 . . . . 76 LYS HG2 . 10316 1 851 . 1 1 76 76 LYS HG3 H 1 1.246 0.030 . 2 . . . . 76 LYS HG3 . 10316 1 852 . 1 1 76 76 LYS C C 13 175.914 0.300 . 1 . . . . 76 LYS C . 10316 1 853 . 1 1 76 76 LYS CA C 13 55.421 0.300 . 1 . . . . 76 LYS CA . 10316 1 854 . 1 1 76 76 LYS CB C 13 33.661 0.300 . 1 . . . . 76 LYS CB . 10316 1 855 . 1 1 76 76 LYS CD C 13 29.091 0.300 . 1 . . . . 76 LYS CD . 10316 1 856 . 1 1 76 76 LYS CE C 13 42.052 0.300 . 1 . . . . 76 LYS CE . 10316 1 857 . 1 1 76 76 LYS CG C 13 25.115 0.300 . 1 . . . . 76 LYS CG . 10316 1 858 . 1 1 76 76 LYS N N 15 127.242 0.300 . 1 . . . . 76 LYS N . 10316 1 859 . 1 1 77 77 THR H H 1 8.960 0.030 . 1 . . . . 77 THR H . 10316 1 860 . 1 1 77 77 THR HA H 1 4.957 0.030 . 1 . . . . 77 THR HA . 10316 1 861 . 1 1 77 77 THR HB H 1 4.794 0.030 . 1 . . . . 77 THR HB . 10316 1 862 . 1 1 77 77 THR HG21 H 1 1.138 0.030 . 1 . . . . 77 THR HG2 . 10316 1 863 . 1 1 77 77 THR HG22 H 1 1.138 0.030 . 1 . . . . 77 THR HG2 . 10316 1 864 . 1 1 77 77 THR HG23 H 1 1.138 0.030 . 1 . . . . 77 THR HG2 . 10316 1 865 . 1 1 77 77 THR C C 13 172.679 0.300 . 1 . . . . 77 THR C . 10316 1 866 . 1 1 77 77 THR CA C 13 59.012 0.300 . 1 . . . . 77 THR CA . 10316 1 867 . 1 1 77 77 THR CB C 13 68.444 0.300 . 1 . . . . 77 THR CB . 10316 1 868 . 1 1 77 77 THR CG2 C 13 22.071 0.300 . 1 . . . . 77 THR CG2 . 10316 1 869 . 1 1 77 77 THR N N 15 119.501 0.300 . 1 . . . . 77 THR N . 10316 1 870 . 1 1 78 78 PRO HA H 1 4.311 0.030 . 1 . . . . 78 PRO HA . 10316 1 871 . 1 1 78 78 PRO HB2 H 1 2.428 0.030 . 2 . . . . 78 PRO HB2 . 10316 1 872 . 1 1 78 78 PRO HB3 H 1 1.875 0.030 . 2 . . . . 78 PRO HB3 . 10316 1 873 . 1 1 78 78 PRO HD2 H 1 3.746 0.030 . 2 . . . . 78 PRO HD2 . 10316 1 874 . 1 1 78 78 PRO HD3 H 1 3.815 0.030 . 2 . . . . 78 PRO HD3 . 10316 1 875 . 1 1 78 78 PRO HG2 H 1 2.156 0.030 . 2 . . . . 78 PRO HG2 . 10316 1 876 . 1 1 78 78 PRO HG3 H 1 1.965 0.030 . 2 . . . . 78 PRO HG3 . 10316 1 877 . 1 1 78 78 PRO CA C 13 65.402 0.300 . 1 . . . . 78 PRO CA . 10316 1 878 . 1 1 78 78 PRO CB C 13 31.858 0.300 . 1 . . . . 78 PRO CB . 10316 1 879 . 1 1 78 78 PRO CD C 13 50.751 0.300 . 1 . . . . 78 PRO CD . 10316 1 880 . 1 1 78 78 PRO CG C 13 28.239 0.300 . 1 . . . . 78 PRO CG . 10316 1 881 . 1 1 79 79 SER H H 1 7.817 0.030 . 1 . . . . 79 SER H . 10316 1 882 . 1 1 79 79 SER HA H 1 4.677 0.030 . 1 . . . . 79 SER HA . 10316 1 883 . 1 1 79 79 SER HB2 H 1 3.907 0.030 . 2 . . . . 79 SER HB2 . 10316 1 884 . 1 1 79 79 SER HB3 H 1 3.756 0.030 . 2 . . . . 79 SER HB3 . 10316 1 885 . 1 1 79 79 SER C C 13 174.035 0.300 . 1 . . . . 79 SER C . 10316 1 886 . 1 1 79 79 SER CA C 13 58.007 0.300 . 1 . . . . 79 SER CA . 10316 1 887 . 1 1 79 79 SER CB C 13 65.238 0.300 . 1 . . . . 79 SER CB . 10316 1 888 . 1 1 79 79 SER N N 15 106.794 0.300 . 1 . . . . 79 SER N . 10316 1 889 . 1 1 80 80 ARG H H 1 7.666 0.030 . 1 . . . . 80 ARG H . 10316 1 890 . 1 1 80 80 ARG HA H 1 4.758 0.030 . 1 . . . . 80 ARG HA . 10316 1 891 . 1 1 80 80 ARG HB2 H 1 1.937 0.030 . 2 . . . . 80 ARG HB2 . 10316 1 892 . 1 1 80 80 ARG HB3 H 1 1.697 0.030 . 2 . . . . 80 ARG HB3 . 10316 1 893 . 1 1 80 80 ARG HD2 H 1 3.168 0.030 . 2 . . . . 80 ARG HD2 . 10316 1 894 . 1 1 80 80 ARG HD3 H 1 3.068 0.030 . 2 . . . . 80 ARG HD3 . 10316 1 895 . 1 1 80 80 ARG HG2 H 1 1.556 0.030 . 2 . . . . 80 ARG HG2 . 10316 1 896 . 1 1 80 80 ARG HG3 H 1 1.437 0.030 . 2 . . . . 80 ARG HG3 . 10316 1 897 . 1 1 80 80 ARG C C 13 173.574 0.300 . 1 . . . . 80 ARG C . 10316 1 898 . 1 1 80 80 ARG CA C 13 55.897 0.300 . 1 . . . . 80 ARG CA . 10316 1 899 . 1 1 80 80 ARG CB C 13 33.419 0.300 . 1 . . . . 80 ARG CB . 10316 1 900 . 1 1 80 80 ARG CD C 13 43.939 0.300 . 1 . . . . 80 ARG CD . 10316 1 901 . 1 1 80 80 ARG CG C 13 25.608 0.300 . 1 . . . . 80 ARG CG . 10316 1 902 . 1 1 80 80 ARG N N 15 120.211 0.300 . 1 . . . . 80 ARG N . 10316 1 903 . 1 1 81 81 VAL H H 1 8.484 0.030 . 1 . . . . 81 VAL H . 10316 1 904 . 1 1 81 81 VAL HA H 1 4.857 0.030 . 1 . . . . 81 VAL HA . 10316 1 905 . 1 1 81 81 VAL HB H 1 1.921 0.030 . 1 . . . . 81 VAL HB . 10316 1 906 . 1 1 81 81 VAL HG11 H 1 0.771 0.030 . 1 . . . . 81 VAL HG1 . 10316 1 907 . 1 1 81 81 VAL HG12 H 1 0.771 0.030 . 1 . . . . 81 VAL HG1 . 10316 1 908 . 1 1 81 81 VAL HG13 H 1 0.771 0.030 . 1 . . . . 81 VAL HG1 . 10316 1 909 . 1 1 81 81 VAL HG21 H 1 0.932 0.030 . 1 . . . . 81 VAL HG2 . 10316 1 910 . 1 1 81 81 VAL HG22 H 1 0.932 0.030 . 1 . . . . 81 VAL HG2 . 10316 1 911 . 1 1 81 81 VAL HG23 H 1 0.932 0.030 . 1 . . . . 81 VAL HG2 . 10316 1 912 . 1 1 81 81 VAL C C 13 175.446 0.300 . 1 . . . . 81 VAL C . 10316 1 913 . 1 1 81 81 VAL CA C 13 61.622 0.300 . 1 . . . . 81 VAL CA . 10316 1 914 . 1 1 81 81 VAL CB C 13 33.830 0.300 . 1 . . . . 81 VAL CB . 10316 1 915 . 1 1 81 81 VAL CG1 C 13 20.932 0.300 . 2 . . . . 81 VAL CG1 . 10316 1 916 . 1 1 81 81 VAL CG2 C 13 21.666 0.300 . 2 . . . . 81 VAL CG2 . 10316 1 917 . 1 1 81 81 VAL N N 15 121.395 0.300 . 1 . . . . 81 VAL N . 10316 1 918 . 1 1 82 82 ILE H H 1 9.197 0.030 . 1 . . . . 82 ILE H . 10316 1 919 . 1 1 82 82 ILE HA H 1 4.457 0.030 . 1 . . . . 82 ILE HA . 10316 1 920 . 1 1 82 82 ILE HB H 1 1.787 0.030 . 1 . . . . 82 ILE HB . 10316 1 921 . 1 1 82 82 ILE HD11 H 1 0.791 0.030 . 1 . . . . 82 ILE HD1 . 10316 1 922 . 1 1 82 82 ILE HD12 H 1 0.791 0.030 . 1 . . . . 82 ILE HD1 . 10316 1 923 . 1 1 82 82 ILE HD13 H 1 0.791 0.030 . 1 . . . . 82 ILE HD1 . 10316 1 924 . 1 1 82 82 ILE HG12 H 1 1.194 0.030 . 2 . . . . 82 ILE HG12 . 10316 1 925 . 1 1 82 82 ILE HG13 H 1 1.410 0.030 . 2 . . . . 82 ILE HG13 . 10316 1 926 . 1 1 82 82 ILE HG21 H 1 0.773 0.030 . 1 . . . . 82 ILE HG2 . 10316 1 927 . 1 1 82 82 ILE HG22 H 1 0.773 0.030 . 1 . . . . 82 ILE HG2 . 10316 1 928 . 1 1 82 82 ILE HG23 H 1 0.773 0.030 . 1 . . . . 82 ILE HG2 . 10316 1 929 . 1 1 82 82 ILE C C 13 173.533 0.300 . 1 . . . . 82 ILE C . 10316 1 930 . 1 1 82 82 ILE CA C 13 59.858 0.300 . 1 . . . . 82 ILE CA . 10316 1 931 . 1 1 82 82 ILE CB C 13 40.350 0.300 . 1 . . . . 82 ILE CB . 10316 1 932 . 1 1 82 82 ILE CD1 C 13 14.071 0.300 . 1 . . . . 82 ILE CD1 . 10316 1 933 . 1 1 82 82 ILE CG1 C 13 27.921 0.300 . 1 . . . . 82 ILE CG1 . 10316 1 934 . 1 1 82 82 ILE CG2 C 13 17.874 0.300 . 1 . . . . 82 ILE CG2 . 10316 1 935 . 1 1 82 82 ILE N N 15 128.927 0.300 . 1 . . . . 82 ILE N . 10316 1 936 . 1 1 83 83 THR H H 1 8.924 0.030 . 1 . . . . 83 THR H . 10316 1 937 . 1 1 83 83 THR HA H 1 4.575 0.030 . 1 . . . . 83 THR HA . 10316 1 938 . 1 1 83 83 THR HB H 1 3.815 0.030 . 1 . . . . 83 THR HB . 10316 1 939 . 1 1 83 83 THR HG21 H 1 1.156 0.030 . 1 . . . . 83 THR HG2 . 10316 1 940 . 1 1 83 83 THR HG22 H 1 1.156 0.030 . 1 . . . . 83 THR HG2 . 10316 1 941 . 1 1 83 83 THR HG23 H 1 1.156 0.030 . 1 . . . . 83 THR HG2 . 10316 1 942 . 1 1 83 83 THR C C 13 172.719 0.300 . 1 . . . . 83 THR C . 10316 1 943 . 1 1 83 83 THR CA C 13 63.422 0.300 . 1 . . . . 83 THR CA . 10316 1 944 . 1 1 83 83 THR CB C 13 69.166 0.300 . 1 . . . . 83 THR CB . 10316 1 945 . 1 1 83 83 THR CG2 C 13 21.990 0.300 . 1 . . . . 83 THR CG2 . 10316 1 946 . 1 1 83 83 THR N N 15 125.893 0.300 . 1 . . . . 83 THR N . 10316 1 947 . 1 1 84 84 LEU H H 1 8.708 0.030 . 1 . . . . 84 LEU H . 10316 1 948 . 1 1 84 84 LEU HA H 1 5.338 0.030 . 1 . . . . 84 LEU HA . 10316 1 949 . 1 1 84 84 LEU HB2 H 1 0.316 0.030 . 2 . . . . 84 LEU HB2 . 10316 1 950 . 1 1 84 84 LEU HB3 H 1 0.008 0.030 . 2 . . . . 84 LEU HB3 . 10316 1 951 . 1 1 84 84 LEU HD11 H 1 -0.101 0.030 . 1 . . . . 84 LEU HD1 . 10316 1 952 . 1 1 84 84 LEU HD12 H 1 -0.101 0.030 . 1 . . . . 84 LEU HD1 . 10316 1 953 . 1 1 84 84 LEU HD13 H 1 -0.101 0.030 . 1 . . . . 84 LEU HD1 . 10316 1 954 . 1 1 84 84 LEU HD21 H 1 0.288 0.030 . 1 . . . . 84 LEU HD2 . 10316 1 955 . 1 1 84 84 LEU HD22 H 1 0.288 0.030 . 1 . . . . 84 LEU HD2 . 10316 1 956 . 1 1 84 84 LEU HD23 H 1 0.288 0.030 . 1 . . . . 84 LEU HD2 . 10316 1 957 . 1 1 84 84 LEU HG H 1 0.898 0.030 . 1 . . . . 84 LEU HG . 10316 1 958 . 1 1 84 84 LEU C C 13 174.565 0.300 . 1 . . . . 84 LEU C . 10316 1 959 . 1 1 84 84 LEU CA C 13 52.544 0.300 . 1 . . . . 84 LEU CA . 10316 1 960 . 1 1 84 84 LEU CB C 13 45.710 0.300 . 1 . . . . 84 LEU CB . 10316 1 961 . 1 1 84 84 LEU CD1 C 13 25.311 0.300 . 2 . . . . 84 LEU CD1 . 10316 1 962 . 1 1 84 84 LEU CD2 C 13 25.032 0.300 . 2 . . . . 84 LEU CD2 . 10316 1 963 . 1 1 84 84 LEU CG C 13 26.691 0.300 . 1 . . . . 84 LEU CG . 10316 1 964 . 1 1 84 84 LEU N N 15 127.352 0.300 . 1 . . . . 84 LEU N . 10316 1 965 . 1 1 85 85 LYS H H 1 8.706 0.030 . 1 . . . . 85 LYS H . 10316 1 966 . 1 1 85 85 LYS HA H 1 4.825 0.030 . 1 . . . . 85 LYS HA . 10316 1 967 . 1 1 85 85 LYS HB2 H 1 0.769 0.030 . 2 . . . . 85 LYS HB2 . 10316 1 968 . 1 1 85 85 LYS HB3 H 1 0.687 0.030 . 2 . . . . 85 LYS HB3 . 10316 1 969 . 1 1 85 85 LYS HD2 H 1 0.710 0.030 . 2 . . . . 85 LYS HD2 . 10316 1 970 . 1 1 85 85 LYS HD3 H 1 0.546 0.030 . 2 . . . . 85 LYS HD3 . 10316 1 971 . 1 1 85 85 LYS HE2 H 1 1.888 0.030 . 2 . . . . 85 LYS HE2 . 10316 1 972 . 1 1 85 85 LYS HE3 H 1 1.988 0.030 . 2 . . . . 85 LYS HE3 . 10316 1 973 . 1 1 85 85 LYS HG2 H 1 0.947 0.030 . 2 . . . . 85 LYS HG2 . 10316 1 974 . 1 1 85 85 LYS HG3 H 1 0.785 0.030 . 2 . . . . 85 LYS HG3 . 10316 1 975 . 1 1 85 85 LYS C C 13 176.469 0.300 . 1 . . . . 85 LYS C . 10316 1 976 . 1 1 85 85 LYS CA C 13 55.050 0.300 . 1 . . . . 85 LYS CA . 10316 1 977 . 1 1 85 85 LYS CB C 13 36.352 0.300 . 1 . . . . 85 LYS CB . 10316 1 978 . 1 1 85 85 LYS CD C 13 28.829 0.300 . 1 . . . . 85 LYS CD . 10316 1 979 . 1 1 85 85 LYS CE C 13 41.476 0.300 . 1 . . . . 85 LYS CE . 10316 1 980 . 1 1 85 85 LYS CG C 13 24.441 0.300 . 1 . . . . 85 LYS CG . 10316 1 981 . 1 1 85 85 LYS N N 15 117.945 0.300 . 1 . . . . 85 LYS N . 10316 1 982 . 1 1 86 86 ALA H H 1 8.868 0.030 . 1 . . . . 86 ALA H . 10316 1 983 . 1 1 86 86 ALA HA H 1 4.771 0.030 . 1 . . . . 86 ALA HA . 10316 1 984 . 1 1 86 86 ALA HB1 H 1 1.524 0.030 . 1 . . . . 86 ALA HB . 10316 1 985 . 1 1 86 86 ALA HB2 H 1 1.524 0.030 . 1 . . . . 86 ALA HB . 10316 1 986 . 1 1 86 86 ALA HB3 H 1 1.524 0.030 . 1 . . . . 86 ALA HB . 10316 1 987 . 1 1 86 86 ALA C C 13 176.818 0.300 . 1 . . . . 86 ALA C . 10316 1 988 . 1 1 86 86 ALA CA C 13 50.090 0.300 . 1 . . . . 86 ALA CA . 10316 1 989 . 1 1 86 86 ALA CB C 13 20.724 0.300 . 1 . . . . 86 ALA CB . 10316 1 990 . 1 1 86 86 ALA N N 15 131.171 0.300 . 1 . . . . 86 ALA N . 10316 1 991 . 1 1 87 87 ALA H H 1 8.757 0.030 . 1 . . . . 87 ALA H . 10316 1 992 . 1 1 87 87 ALA HA H 1 3.956 0.030 . 1 . . . . 87 ALA HA . 10316 1 993 . 1 1 87 87 ALA HB1 H 1 1.520 0.030 . 1 . . . . 87 ALA HB . 10316 1 994 . 1 1 87 87 ALA HB2 H 1 1.520 0.030 . 1 . . . . 87 ALA HB . 10316 1 995 . 1 1 87 87 ALA HB3 H 1 1.520 0.030 . 1 . . . . 87 ALA HB . 10316 1 996 . 1 1 87 87 ALA C C 13 177.699 0.300 . 1 . . . . 87 ALA C . 10316 1 997 . 1 1 87 87 ALA CA C 13 55.209 0.300 . 1 . . . . 87 ALA CA . 10316 1 998 . 1 1 87 87 ALA CB C 13 19.830 0.300 . 1 . . . . 87 ALA CB . 10316 1 999 . 1 1 87 87 ALA N N 15 119.616 0.300 . 1 . . . . 87 ALA N . 10316 1 1000 . 1 1 88 88 THR H H 1 7.108 0.030 . 1 . . . . 88 THR H . 10316 1 1001 . 1 1 88 88 THR HA H 1 4.638 0.030 . 1 . . . . 88 THR HA . 10316 1 1002 . 1 1 88 88 THR HB H 1 4.638 0.030 . 1 . . . . 88 THR HB . 10316 1 1003 . 1 1 88 88 THR HG21 H 1 1.236 0.030 . 1 . . . . 88 THR HG2 . 10316 1 1004 . 1 1 88 88 THR HG22 H 1 1.236 0.030 . 1 . . . . 88 THR HG2 . 10316 1 1005 . 1 1 88 88 THR HG23 H 1 1.236 0.030 . 1 . . . . 88 THR HG2 . 10316 1 1006 . 1 1 88 88 THR C C 13 174.955 0.300 . 1 . . . . 88 THR C . 10316 1 1007 . 1 1 88 88 THR CA C 13 58.217 0.300 . 1 . . . . 88 THR CA . 10316 1 1008 . 1 1 88 88 THR CB C 13 74.381 0.300 . 1 . . . . 88 THR CB . 10316 1 1009 . 1 1 88 88 THR CG2 C 13 22.161 0.300 . 1 . . . . 88 THR CG2 . 10316 1 1010 . 1 1 88 88 THR N N 15 100.305 0.300 . 1 . . . . 88 THR N . 10316 1 1011 . 1 1 89 89 LYS H H 1 9.418 0.030 . 1 . . . . 89 LYS H . 10316 1 1012 . 1 1 89 89 LYS HA H 1 3.916 0.030 . 1 . . . . 89 LYS HA . 10316 1 1013 . 1 1 89 89 LYS HB2 H 1 1.896 0.030 . 2 . . . . 89 LYS HB2 . 10316 1 1014 . 1 1 89 89 LYS HB3 H 1 1.809 0.030 . 2 . . . . 89 LYS HB3 . 10316 1 1015 . 1 1 89 89 LYS HD2 H 1 1.647 0.030 . 2 . . . . 89 LYS HD2 . 10316 1 1016 . 1 1 89 89 LYS HD3 H 1 1.677 0.030 . 2 . . . . 89 LYS HD3 . 10316 1 1017 . 1 1 89 89 LYS HE2 H 1 2.903 0.030 . 1 . . . . 89 LYS HE2 . 10316 1 1018 . 1 1 89 89 LYS HE3 H 1 2.903 0.030 . 1 . . . . 89 LYS HE3 . 10316 1 1019 . 1 1 89 89 LYS HG2 H 1 1.445 0.030 . 2 . . . . 89 LYS HG2 . 10316 1 1020 . 1 1 89 89 LYS HG3 H 1 1.279 0.030 . 2 . . . . 89 LYS HG3 . 10316 1 1021 . 1 1 89 89 LYS C C 13 177.872 0.300 . 1 . . . . 89 LYS C . 10316 1 1022 . 1 1 89 89 LYS CA C 13 60.005 0.300 . 1 . . . . 89 LYS CA . 10316 1 1023 . 1 1 89 89 LYS CB C 13 32.350 0.300 . 1 . . . . 89 LYS CB . 10316 1 1024 . 1 1 89 89 LYS CD C 13 29.554 0.300 . 1 . . . . 89 LYS CD . 10316 1 1025 . 1 1 89 89 LYS CE C 13 42.216 0.300 . 1 . . . . 89 LYS CE . 10316 1 1026 . 1 1 89 89 LYS CG C 13 25.191 0.300 . 1 . . . . 89 LYS CG . 10316 1 1027 . 1 1 89 89 LYS N N 15 122.656 0.300 . 1 . . . . 89 LYS N . 10316 1 1028 . 1 1 90 90 GLN H H 1 8.474 0.030 . 1 . . . . 90 GLN H . 10316 1 1029 . 1 1 90 90 GLN HA H 1 3.918 0.030 . 1 . . . . 90 GLN HA . 10316 1 1030 . 1 1 90 90 GLN HB2 H 1 2.108 0.030 . 2 . . . . 90 GLN HB2 . 10316 1 1031 . 1 1 90 90 GLN HB3 H 1 2.002 0.030 . 2 . . . . 90 GLN HB3 . 10316 1 1032 . 1 1 90 90 GLN HE21 H 1 6.950 0.030 . 2 . . . . 90 GLN HE21 . 10316 1 1033 . 1 1 90 90 GLN HE22 H 1 7.566 0.030 . 2 . . . . 90 GLN HE22 . 10316 1 1034 . 1 1 90 90 GLN HG2 H 1 2.477 0.030 . 2 . . . . 90 GLN HG2 . 10316 1 1035 . 1 1 90 90 GLN HG3 H 1 2.418 0.030 . 2 . . . . 90 GLN HG3 . 10316 1 1036 . 1 1 90 90 GLN C C 13 178.711 0.300 . 1 . . . . 90 GLN C . 10316 1 1037 . 1 1 90 90 GLN CA C 13 59.893 0.300 . 1 . . . . 90 GLN CA . 10316 1 1038 . 1 1 90 90 GLN CB C 13 27.832 0.300 . 1 . . . . 90 GLN CB . 10316 1 1039 . 1 1 90 90 GLN CG C 13 34.176 0.300 . 1 . . . . 90 GLN CG . 10316 1 1040 . 1 1 90 90 GLN N N 15 117.385 0.300 . 1 . . . . 90 GLN N . 10316 1 1041 . 1 1 90 90 GLN NE2 N 15 112.561 0.300 . 1 . . . . 90 GLN NE2 . 10316 1 1042 . 1 1 91 91 ALA H H 1 8.279 0.030 . 1 . . . . 91 ALA H . 10316 1 1043 . 1 1 91 91 ALA HA H 1 4.362 0.030 . 1 . . . . 91 ALA HA . 10316 1 1044 . 1 1 91 91 ALA HB1 H 1 1.673 0.030 . 1 . . . . 91 ALA HB . 10316 1 1045 . 1 1 91 91 ALA HB2 H 1 1.673 0.030 . 1 . . . . 91 ALA HB . 10316 1 1046 . 1 1 91 91 ALA HB3 H 1 1.673 0.030 . 1 . . . . 91 ALA HB . 10316 1 1047 . 1 1 91 91 ALA C C 13 179.479 0.300 . 1 . . . . 91 ALA C . 10316 1 1048 . 1 1 91 91 ALA CA C 13 54.761 0.300 . 1 . . . . 91 ALA CA . 10316 1 1049 . 1 1 91 91 ALA CB C 13 18.847 0.300 . 1 . . . . 91 ALA CB . 10316 1 1050 . 1 1 91 91 ALA N N 15 123.200 0.300 . 1 . . . . 91 ALA N . 10316 1 1051 . 1 1 92 92 MET H H 1 7.895 0.030 . 1 . . . . 92 MET H . 10316 1 1052 . 1 1 92 92 MET HA H 1 3.578 0.030 . 1 . . . . 92 MET HA . 10316 1 1053 . 1 1 92 92 MET HB2 H 1 2.227 0.030 . 2 . . . . 92 MET HB2 . 10316 1 1054 . 1 1 92 92 MET HB3 H 1 1.853 0.030 . 2 . . . . 92 MET HB3 . 10316 1 1055 . 1 1 92 92 MET HE1 H 1 2.110 0.030 . 1 . . . . 92 MET HE . 10316 1 1056 . 1 1 92 92 MET HE2 H 1 2.110 0.030 . 1 . . . . 92 MET HE . 10316 1 1057 . 1 1 92 92 MET HE3 H 1 2.110 0.030 . 1 . . . . 92 MET HE . 10316 1 1058 . 1 1 92 92 MET HG2 H 1 2.535 0.030 . 2 . . . . 92 MET HG2 . 10316 1 1059 . 1 1 92 92 MET HG3 H 1 2.093 0.030 . 2 . . . . 92 MET HG3 . 10316 1 1060 . 1 1 92 92 MET C C 13 176.729 0.300 . 1 . . . . 92 MET C . 10316 1 1061 . 1 1 92 92 MET CA C 13 59.639 0.300 . 1 . . . . 92 MET CA . 10316 1 1062 . 1 1 92 92 MET CB C 13 31.403 0.300 . 1 . . . . 92 MET CB . 10316 1 1063 . 1 1 92 92 MET CE C 13 17.772 0.300 . 1 . . . . 92 MET CE . 10316 1 1064 . 1 1 92 92 MET CG C 13 31.408 0.300 . 1 . . . . 92 MET CG . 10316 1 1065 . 1 1 92 92 MET N N 15 119.966 0.300 . 1 . . . . 92 MET N . 10316 1 1066 . 1 1 93 93 LEU H H 1 8.349 0.030 . 1 . . . . 93 LEU H . 10316 1 1067 . 1 1 93 93 LEU HA H 1 3.823 0.030 . 1 . . . . 93 LEU HA . 10316 1 1068 . 1 1 93 93 LEU HB2 H 1 1.855 0.030 . 2 . . . . 93 LEU HB2 . 10316 1 1069 . 1 1 93 93 LEU HB3 H 1 1.416 0.030 . 2 . . . . 93 LEU HB3 . 10316 1 1070 . 1 1 93 93 LEU HD11 H 1 0.805 0.030 . 1 . . . . 93 LEU HD1 . 10316 1 1071 . 1 1 93 93 LEU HD12 H 1 0.805 0.030 . 1 . . . . 93 LEU HD1 . 10316 1 1072 . 1 1 93 93 LEU HD13 H 1 0.805 0.030 . 1 . . . . 93 LEU HD1 . 10316 1 1073 . 1 1 93 93 LEU HD21 H 1 0.845 0.030 . 1 . . . . 93 LEU HD2 . 10316 1 1074 . 1 1 93 93 LEU HD22 H 1 0.845 0.030 . 1 . . . . 93 LEU HD2 . 10316 1 1075 . 1 1 93 93 LEU HD23 H 1 0.845 0.030 . 1 . . . . 93 LEU HD2 . 10316 1 1076 . 1 1 93 93 LEU HG H 1 1.784 0.030 . 1 . . . . 93 LEU HG . 10316 1 1077 . 1 1 93 93 LEU C C 13 179.353 0.300 . 1 . . . . 93 LEU C . 10316 1 1078 . 1 1 93 93 LEU CA C 13 57.980 0.300 . 1 . . . . 93 LEU CA . 10316 1 1079 . 1 1 93 93 LEU CB C 13 41.229 0.300 . 1 . . . . 93 LEU CB . 10316 1 1080 . 1 1 93 93 LEU CD1 C 13 22.559 0.300 . 2 . . . . 93 LEU CD1 . 10316 1 1081 . 1 1 93 93 LEU CD2 C 13 25.622 0.300 . 2 . . . . 93 LEU CD2 . 10316 1 1082 . 1 1 93 93 LEU CG C 13 26.683 0.300 . 1 . . . . 93 LEU CG . 10316 1 1083 . 1 1 93 93 LEU N N 15 118.712 0.300 . 1 . . . . 93 LEU N . 10316 1 1084 . 1 1 94 94 TYR H H 1 7.847 0.030 . 1 . . . . 94 TYR H . 10316 1 1085 . 1 1 94 94 TYR HA H 1 4.137 0.030 . 1 . . . . 94 TYR HA . 10316 1 1086 . 1 1 94 94 TYR HB2 H 1 3.195 0.030 . 2 . . . . 94 TYR HB2 . 10316 1 1087 . 1 1 94 94 TYR HB3 H 1 3.060 0.030 . 2 . . . . 94 TYR HB3 . 10316 1 1088 . 1 1 94 94 TYR HD1 H 1 6.808 0.030 . 1 . . . . 94 TYR HD1 . 10316 1 1089 . 1 1 94 94 TYR HD2 H 1 6.808 0.030 . 1 . . . . 94 TYR HD2 . 10316 1 1090 . 1 1 94 94 TYR HE1 H 1 6.346 0.030 . 1 . . . . 94 TYR HE1 . 10316 1 1091 . 1 1 94 94 TYR HE2 H 1 6.346 0.030 . 1 . . . . 94 TYR HE2 . 10316 1 1092 . 1 1 94 94 TYR C C 13 176.806 0.300 . 1 . . . . 94 TYR C . 10316 1 1093 . 1 1 94 94 TYR CA C 13 61.563 0.300 . 1 . . . . 94 TYR CA . 10316 1 1094 . 1 1 94 94 TYR CB C 13 37.735 0.300 . 1 . . . . 94 TYR CB . 10316 1 1095 . 1 1 94 94 TYR CD1 C 13 133.246 0.300 . 1 . . . . 94 TYR CD1 . 10316 1 1096 . 1 1 94 94 TYR CD2 C 13 133.246 0.300 . 1 . . . . 94 TYR CD2 . 10316 1 1097 . 1 1 94 94 TYR CE1 C 13 117.829 0.300 . 1 . . . . 94 TYR CE1 . 10316 1 1098 . 1 1 94 94 TYR CE2 C 13 117.829 0.300 . 1 . . . . 94 TYR CE2 . 10316 1 1099 . 1 1 94 94 TYR N N 15 120.793 0.300 . 1 . . . . 94 TYR N . 10316 1 1100 . 1 1 95 95 TRP H H 1 8.108 0.030 . 1 . . . . 95 TRP H . 10316 1 1101 . 1 1 95 95 TRP HA H 1 3.377 0.030 . 1 . . . . 95 TRP HA . 10316 1 1102 . 1 1 95 95 TRP HB2 H 1 2.898 0.030 . 2 . . . . 95 TRP HB2 . 10316 1 1103 . 1 1 95 95 TRP HB3 H 1 2.617 0.030 . 2 . . . . 95 TRP HB3 . 10316 1 1104 . 1 1 95 95 TRP HD1 H 1 7.437 0.030 . 1 . . . . 95 TRP HD1 . 10316 1 1105 . 1 1 95 95 TRP HE1 H 1 10.586 0.030 . 1 . . . . 95 TRP HE1 . 10316 1 1106 . 1 1 95 95 TRP HE3 H 1 7.125 0.030 . 1 . . . . 95 TRP HE3 . 10316 1 1107 . 1 1 95 95 TRP HH2 H 1 6.557 0.030 . 1 . . . . 95 TRP HH2 . 10316 1 1108 . 1 1 95 95 TRP HZ2 H 1 6.756 0.030 . 1 . . . . 95 TRP HZ2 . 10316 1 1109 . 1 1 95 95 TRP HZ3 H 1 6.575 0.030 . 1 . . . . 95 TRP HZ3 . 10316 1 1110 . 1 1 95 95 TRP C C 13 178.313 0.300 . 1 . . . . 95 TRP C . 10316 1 1111 . 1 1 95 95 TRP CA C 13 63.028 0.300 . 1 . . . . 95 TRP CA . 10316 1 1112 . 1 1 95 95 TRP CB C 13 28.626 0.300 . 1 . . . . 95 TRP CB . 10316 1 1113 . 1 1 95 95 TRP CD1 C 13 126.307 0.300 . 1 . . . . 95 TRP CD1 . 10316 1 1114 . 1 1 95 95 TRP CE3 C 13 118.790 0.300 . 1 . . . . 95 TRP CE3 . 10316 1 1115 . 1 1 95 95 TRP CH2 C 13 123.250 0.300 . 1 . . . . 95 TRP CH2 . 10316 1 1116 . 1 1 95 95 TRP CZ2 C 13 113.554 0.300 . 1 . . . . 95 TRP CZ2 . 10316 1 1117 . 1 1 95 95 TRP CZ3 C 13 120.578 0.300 . 1 . . . . 95 TRP CZ3 . 10316 1 1118 . 1 1 95 95 TRP N N 15 120.379 0.300 . 1 . . . . 95 TRP N . 10316 1 1119 . 1 1 95 95 TRP NE1 N 15 129.190 0.300 . 1 . . . . 95 TRP NE1 . 10316 1 1120 . 1 1 96 96 LEU H H 1 8.273 0.030 . 1 . . . . 96 LEU H . 10316 1 1121 . 1 1 96 96 LEU HA H 1 3.406 0.030 . 1 . . . . 96 LEU HA . 10316 1 1122 . 1 1 96 96 LEU HB2 H 1 1.520 0.030 . 2 . . . . 96 LEU HB2 . 10316 1 1123 . 1 1 96 96 LEU HB3 H 1 1.208 0.030 . 2 . . . . 96 LEU HB3 . 10316 1 1124 . 1 1 96 96 LEU HD11 H 1 0.653 0.030 . 1 . . . . 96 LEU HD1 . 10316 1 1125 . 1 1 96 96 LEU HD12 H 1 0.653 0.030 . 1 . . . . 96 LEU HD1 . 10316 1 1126 . 1 1 96 96 LEU HD13 H 1 0.653 0.030 . 1 . . . . 96 LEU HD1 . 10316 1 1127 . 1 1 96 96 LEU HD21 H 1 0.555 0.030 . 1 . . . . 96 LEU HD2 . 10316 1 1128 . 1 1 96 96 LEU HD22 H 1 0.555 0.030 . 1 . . . . 96 LEU HD2 . 10316 1 1129 . 1 1 96 96 LEU HD23 H 1 0.555 0.030 . 1 . . . . 96 LEU HD2 . 10316 1 1130 . 1 1 96 96 LEU HG H 1 1.127 0.030 . 1 . . . . 96 LEU HG . 10316 1 1131 . 1 1 96 96 LEU C C 13 179.257 0.300 . 1 . . . . 96 LEU C . 10316 1 1132 . 1 1 96 96 LEU CA C 13 58.527 0.300 . 1 . . . . 96 LEU CA . 10316 1 1133 . 1 1 96 96 LEU CB C 13 42.052 0.300 . 1 . . . . 96 LEU CB . 10316 1 1134 . 1 1 96 96 LEU CD1 C 13 26.183 0.300 . 2 . . . . 96 LEU CD1 . 10316 1 1135 . 1 1 96 96 LEU CD2 C 13 24.041 0.300 . 2 . . . . 96 LEU CD2 . 10316 1 1136 . 1 1 96 96 LEU CG C 13 26.671 0.300 . 1 . . . . 96 LEU CG . 10316 1 1137 . 1 1 96 96 LEU N N 15 116.891 0.300 . 1 . . . . 96 LEU N . 10316 1 1138 . 1 1 97 97 GLN H H 1 7.986 0.030 . 1 . . . . 97 GLN H . 10316 1 1139 . 1 1 97 97 GLN HA H 1 3.839 0.030 . 1 . . . . 97 GLN HA . 10316 1 1140 . 1 1 97 97 GLN HB2 H 1 2.076 0.030 . 2 . . . . 97 GLN HB2 . 10316 1 1141 . 1 1 97 97 GLN HB3 H 1 1.988 0.030 . 2 . . . . 97 GLN HB3 . 10316 1 1142 . 1 1 97 97 GLN HE21 H 1 7.328 0.030 . 2 . . . . 97 GLN HE21 . 10316 1 1143 . 1 1 97 97 GLN HE22 H 1 6.733 0.030 . 2 . . . . 97 GLN HE22 . 10316 1 1144 . 1 1 97 97 GLN HG2 H 1 2.147 0.030 . 2 . . . . 97 GLN HG2 . 10316 1 1145 . 1 1 97 97 GLN HG3 H 1 2.394 0.030 . 2 . . . . 97 GLN HG3 . 10316 1 1146 . 1 1 97 97 GLN C C 13 179.296 0.300 . 1 . . . . 97 GLN C . 10316 1 1147 . 1 1 97 97 GLN CA C 13 58.845 0.300 . 1 . . . . 97 GLN CA . 10316 1 1148 . 1 1 97 97 GLN CB C 13 28.445 0.300 . 1 . . . . 97 GLN CB . 10316 1 1149 . 1 1 97 97 GLN CG C 13 33.912 0.300 . 1 . . . . 97 GLN CG . 10316 1 1150 . 1 1 97 97 GLN N N 15 118.052 0.300 . 1 . . . . 97 GLN N . 10316 1 1151 . 1 1 97 97 GLN NE2 N 15 110.895 0.300 . 1 . . . . 97 GLN NE2 . 10316 1 1152 . 1 1 98 98 GLN H H 1 8.296 0.030 . 1 . . . . 98 GLN H . 10316 1 1153 . 1 1 98 98 GLN HA H 1 3.590 0.030 . 1 . . . . 98 GLN HA . 10316 1 1154 . 1 1 98 98 GLN HB2 H 1 1.606 0.030 . 2 . . . . 98 GLN HB2 . 10316 1 1155 . 1 1 98 98 GLN HB3 H 1 1.283 0.030 . 2 . . . . 98 GLN HB3 . 10316 1 1156 . 1 1 98 98 GLN HE21 H 1 6.626 0.030 . 2 . . . . 98 GLN HE21 . 10316 1 1157 . 1 1 98 98 GLN HE22 H 1 6.888 0.030 . 2 . . . . 98 GLN HE22 . 10316 1 1158 . 1 1 98 98 GLN HG2 H 1 1.547 0.030 . 2 . . . . 98 GLN HG2 . 10316 1 1159 . 1 1 98 98 GLN HG3 H 1 1.095 0.030 . 2 . . . . 98 GLN HG3 . 10316 1 1160 . 1 1 98 98 GLN C C 13 178.288 0.300 . 1 . . . . 98 GLN C . 10316 1 1161 . 1 1 98 98 GLN CA C 13 57.921 0.300 . 1 . . . . 98 GLN CA . 10316 1 1162 . 1 1 98 98 GLN CB C 13 29.089 0.300 . 1 . . . . 98 GLN CB . 10316 1 1163 . 1 1 98 98 GLN CG C 13 33.201 0.300 . 1 . . . . 98 GLN CG . 10316 1 1164 . 1 1 98 98 GLN N N 15 117.618 0.300 . 1 . . . . 98 GLN N . 10316 1 1165 . 1 1 98 98 GLN NE2 N 15 114.047 0.300 . 1 . . . . 98 GLN NE2 . 10316 1 1166 . 1 1 99 99 LEU H H 1 8.613 0.030 . 1 . . . . 99 LEU H . 10316 1 1167 . 1 1 99 99 LEU HA H 1 3.338 0.030 . 1 . . . . 99 LEU HA . 10316 1 1168 . 1 1 99 99 LEU HB2 H 1 1.206 0.030 . 2 . . . . 99 LEU HB2 . 10316 1 1169 . 1 1 99 99 LEU HB3 H 1 0.428 0.030 . 2 . . . . 99 LEU HB3 . 10316 1 1170 . 1 1 99 99 LEU HD11 H 1 0.708 0.030 . 1 . . . . 99 LEU HD1 . 10316 1 1171 . 1 1 99 99 LEU HD12 H 1 0.708 0.030 . 1 . . . . 99 LEU HD1 . 10316 1 1172 . 1 1 99 99 LEU HD13 H 1 0.708 0.030 . 1 . . . . 99 LEU HD1 . 10316 1 1173 . 1 1 99 99 LEU HD21 H 1 0.574 0.030 . 1 . . . . 99 LEU HD2 . 10316 1 1174 . 1 1 99 99 LEU HD22 H 1 0.574 0.030 . 1 . . . . 99 LEU HD2 . 10316 1 1175 . 1 1 99 99 LEU HD23 H 1 0.574 0.030 . 1 . . . . 99 LEU HD2 . 10316 1 1176 . 1 1 99 99 LEU HG H 1 1.877 0.030 . 1 . . . . 99 LEU HG . 10316 1 1177 . 1 1 99 99 LEU C C 13 178.376 0.300 . 1 . . . . 99 LEU C . 10316 1 1178 . 1 1 99 99 LEU CA C 13 58.007 0.300 . 1 . . . . 99 LEU CA . 10316 1 1179 . 1 1 99 99 LEU CB C 13 40.613 0.300 . 1 . . . . 99 LEU CB . 10316 1 1180 . 1 1 99 99 LEU CD1 C 13 25.983 0.300 . 2 . . . . 99 LEU CD1 . 10316 1 1181 . 1 1 99 99 LEU CD2 C 13 23.239 0.300 . 2 . . . . 99 LEU CD2 . 10316 1 1182 . 1 1 99 99 LEU CG C 13 26.619 0.300 . 1 . . . . 99 LEU CG . 10316 1 1183 . 1 1 99 99 LEU N N 15 118.965 0.300 . 1 . . . . 99 LEU N . 10316 1 1184 . 1 1 100 100 GLN H H 1 7.276 0.030 . 1 . . . . 100 GLN H . 10316 1 1185 . 1 1 100 100 GLN HA H 1 3.984 0.030 . 1 . . . . 100 GLN HA . 10316 1 1186 . 1 1 100 100 GLN HB2 H 1 2.089 0.030 . 2 . . . . 100 GLN HB2 . 10316 1 1187 . 1 1 100 100 GLN HB3 H 1 1.996 0.030 . 2 . . . . 100 GLN HB3 . 10316 1 1188 . 1 1 100 100 GLN HE21 H 1 7.110 0.030 . 2 . . . . 100 GLN HE21 . 10316 1 1189 . 1 1 100 100 GLN HE22 H 1 6.975 0.030 . 2 . . . . 100 GLN HE22 . 10316 1 1190 . 1 1 100 100 GLN HG2 H 1 2.255 0.030 . 2 . . . . 100 GLN HG2 . 10316 1 1191 . 1 1 100 100 GLN HG3 H 1 2.310 0.030 . 2 . . . . 100 GLN HG3 . 10316 1 1192 . 1 1 100 100 GLN C C 13 178.864 0.300 . 1 . . . . 100 GLN C . 10316 1 1193 . 1 1 100 100 GLN CA C 13 59.268 0.300 . 1 . . . . 100 GLN CA . 10316 1 1194 . 1 1 100 100 GLN CB C 13 28.949 0.300 . 1 . . . . 100 GLN CB . 10316 1 1195 . 1 1 100 100 GLN CG C 13 34.734 0.300 . 1 . . . . 100 GLN CG . 10316 1 1196 . 1 1 100 100 GLN N N 15 115.698 0.300 . 1 . . . . 100 GLN N . 10316 1 1197 . 1 1 100 100 GLN NE2 N 15 110.808 0.300 . 1 . . . . 100 GLN NE2 . 10316 1 1198 . 1 1 101 101 MET H H 1 7.856 0.030 . 1 . . . . 101 MET H . 10316 1 1199 . 1 1 101 101 MET HA H 1 4.267 0.030 . 1 . . . . 101 MET HA . 10316 1 1200 . 1 1 101 101 MET HB2 H 1 2.075 0.030 . 1 . . . . 101 MET HB2 . 10316 1 1201 . 1 1 101 101 MET HB3 H 1 2.075 0.030 . 1 . . . . 101 MET HB3 . 10316 1 1202 . 1 1 101 101 MET HE1 H 1 1.968 0.030 . 1 . . . . 101 MET HE . 10316 1 1203 . 1 1 101 101 MET HE2 H 1 1.968 0.030 . 1 . . . . 101 MET HE . 10316 1 1204 . 1 1 101 101 MET HE3 H 1 1.968 0.030 . 1 . . . . 101 MET HE . 10316 1 1205 . 1 1 101 101 MET HG2 H 1 2.607 0.030 . 2 . . . . 101 MET HG2 . 10316 1 1206 . 1 1 101 101 MET HG3 H 1 2.498 0.030 . 2 . . . . 101 MET HG3 . 10316 1 1207 . 1 1 101 101 MET C C 13 178.543 0.300 . 1 . . . . 101 MET C . 10316 1 1208 . 1 1 101 101 MET CA C 13 58.704 0.300 . 1 . . . . 101 MET CA . 10316 1 1209 . 1 1 101 101 MET CB C 13 32.528 0.300 . 1 . . . . 101 MET CB . 10316 1 1210 . 1 1 101 101 MET CE C 13 16.936 0.300 . 1 . . . . 101 MET CE . 10316 1 1211 . 1 1 101 101 MET CG C 13 31.939 0.300 . 1 . . . . 101 MET CG . 10316 1 1212 . 1 1 101 101 MET N N 15 119.742 0.300 . 1 . . . . 101 MET N . 10316 1 1213 . 1 1 102 102 LYS H H 1 8.606 0.030 . 1 . . . . 102 LYS H . 10316 1 1214 . 1 1 102 102 LYS HA H 1 4.103 0.030 . 1 . . . . 102 LYS HA . 10316 1 1215 . 1 1 102 102 LYS HB2 H 1 1.568 0.030 . 2 . . . . 102 LYS HB2 . 10316 1 1216 . 1 1 102 102 LYS HB3 H 1 1.444 0.030 . 2 . . . . 102 LYS HB3 . 10316 1 1217 . 1 1 102 102 LYS HD2 H 1 1.575 0.030 . 2 . . . . 102 LYS HD2 . 10316 1 1218 . 1 1 102 102 LYS HD3 H 1 1.428 0.030 . 2 . . . . 102 LYS HD3 . 10316 1 1219 . 1 1 102 102 LYS HE2 H 1 2.767 0.030 . 2 . . . . 102 LYS HE2 . 10316 1 1220 . 1 1 102 102 LYS HE3 H 1 2.855 0.030 . 2 . . . . 102 LYS HE3 . 10316 1 1221 . 1 1 102 102 LYS HG2 H 1 0.707 0.030 . 2 . . . . 102 LYS HG2 . 10316 1 1222 . 1 1 102 102 LYS HG3 H 1 1.477 0.030 . 2 . . . . 102 LYS HG3 . 10316 1 1223 . 1 1 102 102 LYS C C 13 180.174 0.300 . 1 . . . . 102 LYS C . 10316 1 1224 . 1 1 102 102 LYS CA C 13 57.874 0.300 . 1 . . . . 102 LYS CA . 10316 1 1225 . 1 1 102 102 LYS CB C 13 30.747 0.300 . 1 . . . . 102 LYS CB . 10316 1 1226 . 1 1 102 102 LYS CD C 13 27.790 0.300 . 1 . . . . 102 LYS CD . 10316 1 1227 . 1 1 102 102 LYS CE C 13 42.733 0.300 . 1 . . . . 102 LYS CE . 10316 1 1228 . 1 1 102 102 LYS CG C 13 24.686 0.300 . 1 . . . . 102 LYS CG . 10316 1 1229 . 1 1 102 102 LYS N N 15 118.613 0.300 . 1 . . . . 102 LYS N . 10316 1 1230 . 1 1 103 103 ARG H H 1 8.119 0.030 . 1 . . . . 103 ARG H . 10316 1 1231 . 1 1 103 103 ARG HA H 1 3.987 0.030 . 1 . . . . 103 ARG HA . 10316 1 1232 . 1 1 103 103 ARG HB2 H 1 2.095 0.030 . 2 . . . . 103 ARG HB2 . 10316 1 1233 . 1 1 103 103 ARG HB3 H 1 1.909 0.030 . 2 . . . . 103 ARG HB3 . 10316 1 1234 . 1 1 103 103 ARG HD2 H 1 3.467 0.030 . 2 . . . . 103 ARG HD2 . 10316 1 1235 . 1 1 103 103 ARG HD3 H 1 3.326 0.030 . 2 . . . . 103 ARG HD3 . 10316 1 1236 . 1 1 103 103 ARG HG2 H 1 1.682 0.030 . 2 . . . . 103 ARG HG2 . 10316 1 1237 . 1 1 103 103 ARG HG3 H 1 1.962 0.030 . 2 . . . . 103 ARG HG3 . 10316 1 1238 . 1 1 103 103 ARG C C 13 177.807 0.300 . 1 . . . . 103 ARG C . 10316 1 1239 . 1 1 103 103 ARG CA C 13 60.222 0.300 . 1 . . . . 103 ARG CA . 10316 1 1240 . 1 1 103 103 ARG CB C 13 29.691 0.300 . 1 . . . . 103 ARG CB . 10316 1 1241 . 1 1 103 103 ARG CD C 13 43.941 0.300 . 1 . . . . 103 ARG CD . 10316 1 1242 . 1 1 103 103 ARG CG C 13 28.135 0.300 . 1 . . . . 103 ARG CG . 10316 1 1243 . 1 1 103 103 ARG N N 15 120.699 0.300 . 1 . . . . 103 ARG N . 10316 1 1244 . 1 1 104 104 TRP H H 1 8.108 0.030 . 1 . . . . 104 TRP H . 10316 1 1245 . 1 1 104 104 TRP HA H 1 4.397 0.030 . 1 . . . . 104 TRP HA . 10316 1 1246 . 1 1 104 104 TRP HB2 H 1 3.627 0.030 . 2 . . . . 104 TRP HB2 . 10316 1 1247 . 1 1 104 104 TRP HB3 H 1 3.446 0.030 . 2 . . . . 104 TRP HB3 . 10316 1 1248 . 1 1 104 104 TRP HD1 H 1 7.315 0.030 . 1 . . . . 104 TRP HD1 . 10316 1 1249 . 1 1 104 104 TRP HE1 H 1 10.175 0.030 . 1 . . . . 104 TRP HE1 . 10316 1 1250 . 1 1 104 104 TRP HE3 H 1 7.577 0.030 . 1 . . . . 104 TRP HE3 . 10316 1 1251 . 1 1 104 104 TRP HH2 H 1 7.180 0.030 . 1 . . . . 104 TRP HH2 . 10316 1 1252 . 1 1 104 104 TRP HZ2 H 1 7.417 0.030 . 1 . . . . 104 TRP HZ2 . 10316 1 1253 . 1 1 104 104 TRP HZ3 H 1 7.105 0.030 . 1 . . . . 104 TRP HZ3 . 10316 1 1254 . 1 1 104 104 TRP C C 13 179.472 0.300 . 1 . . . . 104 TRP C . 10316 1 1255 . 1 1 104 104 TRP CA C 13 61.634 0.300 . 1 . . . . 104 TRP CA . 10316 1 1256 . 1 1 104 104 TRP CB C 13 28.749 0.300 . 1 . . . . 104 TRP CB . 10316 1 1257 . 1 1 104 104 TRP CD1 C 13 127.059 0.300 . 1 . . . . 104 TRP CD1 . 10316 1 1258 . 1 1 104 104 TRP CE3 C 13 120.746 0.300 . 1 . . . . 104 TRP CE3 . 10316 1 1259 . 1 1 104 104 TRP CH2 C 13 124.797 0.300 . 1 . . . . 104 TRP CH2 . 10316 1 1260 . 1 1 104 104 TRP CZ2 C 13 114.504 0.300 . 1 . . . . 104 TRP CZ2 . 10316 1 1261 . 1 1 104 104 TRP CZ3 C 13 121.962 0.300 . 1 . . . . 104 TRP CZ3 . 10316 1 1262 . 1 1 104 104 TRP N N 15 120.094 0.300 . 1 . . . . 104 TRP N . 10316 1 1263 . 1 1 104 104 TRP NE1 N 15 129.777 0.300 . 1 . . . . 104 TRP NE1 . 10316 1 1264 . 1 1 105 105 GLU H H 1 8.837 0.030 . 1 . . . . 105 GLU H . 10316 1 1265 . 1 1 105 105 GLU HA H 1 3.806 0.030 . 1 . . . . 105 GLU HA . 10316 1 1266 . 1 1 105 105 GLU HB2 H 1 2.336 0.030 . 2 . . . . 105 GLU HB2 . 10316 1 1267 . 1 1 105 105 GLU HB3 H 1 2.116 0.030 . 2 . . . . 105 GLU HB3 . 10316 1 1268 . 1 1 105 105 GLU HG2 H 1 2.779 0.030 . 2 . . . . 105 GLU HG2 . 10316 1 1269 . 1 1 105 105 GLU HG3 H 1 2.404 0.030 . 2 . . . . 105 GLU HG3 . 10316 1 1270 . 1 1 105 105 GLU C C 13 178.744 0.300 . 1 . . . . 105 GLU C . 10316 1 1271 . 1 1 105 105 GLU CA C 13 59.409 0.300 . 1 . . . . 105 GLU CA . 10316 1 1272 . 1 1 105 105 GLU CB C 13 30.083 0.300 . 1 . . . . 105 GLU CB . 10316 1 1273 . 1 1 105 105 GLU CG C 13 37.022 0.300 . 1 . . . . 105 GLU CG . 10316 1 1274 . 1 1 105 105 GLU N N 15 119.766 0.300 . 1 . . . . 105 GLU N . 10316 1 1275 . 1 1 106 106 PHE H H 1 8.157 0.030 . 1 . . . . 106 PHE H . 10316 1 1276 . 1 1 106 106 PHE HA H 1 4.236 0.030 . 1 . . . . 106 PHE HA . 10316 1 1277 . 1 1 106 106 PHE HB2 H 1 3.398 0.030 . 2 . . . . 106 PHE HB2 . 10316 1 1278 . 1 1 106 106 PHE HB3 H 1 3.157 0.030 . 2 . . . . 106 PHE HB3 . 10316 1 1279 . 1 1 106 106 PHE HD1 H 1 6.820 0.030 . 1 . . . . 106 PHE HD1 . 10316 1 1280 . 1 1 106 106 PHE HD2 H 1 6.820 0.030 . 1 . . . . 106 PHE HD2 . 10316 1 1281 . 1 1 106 106 PHE HE1 H 1 7.197 0.030 . 1 . . . . 106 PHE HE1 . 10316 1 1282 . 1 1 106 106 PHE HE2 H 1 7.197 0.030 . 1 . . . . 106 PHE HE2 . 10316 1 1283 . 1 1 106 106 PHE HZ H 1 7.175 0.030 . 1 . . . . 106 PHE HZ . 10316 1 1284 . 1 1 106 106 PHE C C 13 177.227 0.300 . 1 . . . . 106 PHE C . 10316 1 1285 . 1 1 106 106 PHE CA C 13 61.299 0.300 . 1 . . . . 106 PHE CA . 10316 1 1286 . 1 1 106 106 PHE CB C 13 39.630 0.300 . 1 . . . . 106 PHE CB . 10316 1 1287 . 1 1 106 106 PHE CD1 C 13 132.048 0.300 . 1 . . . . 106 PHE CD1 . 10316 1 1288 . 1 1 106 106 PHE CD2 C 13 132.048 0.300 . 1 . . . . 106 PHE CD2 . 10316 1 1289 . 1 1 106 106 PHE CE1 C 13 131.351 0.300 . 1 . . . . 106 PHE CE1 . 10316 1 1290 . 1 1 106 106 PHE CE2 C 13 131.351 0.300 . 1 . . . . 106 PHE CE2 . 10316 1 1291 . 1 1 106 106 PHE CZ C 13 129.751 0.300 . 1 . . . . 106 PHE CZ . 10316 1 1292 . 1 1 106 106 PHE N N 15 120.094 0.300 . 1 . . . . 106 PHE N . 10316 1 1293 . 1 1 107 107 HIS H H 1 7.558 0.030 . 1 . . . . 107 HIS H . 10316 1 1294 . 1 1 107 107 HIS HA H 1 4.343 0.030 . 1 . . . . 107 HIS HA . 10316 1 1295 . 1 1 107 107 HIS HB2 H 1 3.112 0.030 . 2 . . . . 107 HIS HB2 . 10316 1 1296 . 1 1 107 107 HIS HB3 H 1 2.920 0.030 . 2 . . . . 107 HIS HB3 . 10316 1 1297 . 1 1 107 107 HIS HD2 H 1 7.184 0.030 . 1 . . . . 107 HIS HD2 . 10316 1 1298 . 1 1 107 107 HIS HE1 H 1 8.003 0.030 . 1 . . . . 107 HIS HE1 . 10316 1 1299 . 1 1 107 107 HIS C C 13 176.105 0.300 . 1 . . . . 107 HIS C . 10316 1 1300 . 1 1 107 107 HIS CA C 13 57.980 0.300 . 1 . . . . 107 HIS CA . 10316 1 1301 . 1 1 107 107 HIS CB C 13 31.651 0.300 . 1 . . . . 107 HIS CB . 10316 1 1302 . 1 1 107 107 HIS CD2 C 13 119.973 0.300 . 1 . . . . 107 HIS CD2 . 10316 1 1303 . 1 1 107 107 HIS CE1 C 13 138.587 0.300 . 1 . . . . 107 HIS CE1 . 10316 1 1304 . 1 1 107 107 HIS N N 15 115.117 0.300 . 1 . . . . 107 HIS N . 10316 1 1305 . 1 1 108 108 ASN H H 1 7.767 0.030 . 1 . . . . 108 ASN H . 10316 1 1306 . 1 1 108 108 ASN HA H 1 4.544 0.030 . 1 . . . . 108 ASN HA . 10316 1 1307 . 1 1 108 108 ASN HB2 H 1 2.197 0.030 . 2 . . . . 108 ASN HB2 . 10316 1 1308 . 1 1 108 108 ASN HB3 H 1 1.537 0.030 . 2 . . . . 108 ASN HB3 . 10316 1 1309 . 1 1 108 108 ASN HD21 H 1 6.482 0.030 . 2 . . . . 108 ASN HD21 . 10316 1 1310 . 1 1 108 108 ASN HD22 H 1 6.858 0.030 . 2 . . . . 108 ASN HD22 . 10316 1 1311 . 1 1 108 108 ASN C C 13 174.337 0.300 . 1 . . . . 108 ASN C . 10316 1 1312 . 1 1 108 108 ASN CA C 13 53.814 0.300 . 1 . . . . 108 ASN CA . 10316 1 1313 . 1 1 108 108 ASN CB C 13 39.493 0.300 . 1 . . . . 108 ASN CB . 10316 1 1314 . 1 1 108 108 ASN N N 15 117.203 0.300 . 1 . . . . 108 ASN N . 10316 1 1315 . 1 1 108 108 ASN ND2 N 15 114.753 0.300 . 1 . . . . 108 ASN ND2 . 10316 1 1316 . 1 1 109 109 SER H H 1 7.878 0.030 . 1 . . . . 109 SER H . 10316 1 1317 . 1 1 109 109 SER HA H 1 4.669 0.030 . 1 . . . . 109 SER HA . 10316 1 1318 . 1 1 109 109 SER HB2 H 1 3.825 0.030 . 2 . . . . 109 SER HB2 . 10316 1 1319 . 1 1 109 109 SER HB3 H 1 3.717 0.030 . 2 . . . . 109 SER HB3 . 10316 1 1320 . 1 1 109 109 SER C C 13 171.444 0.300 . 1 . . . . 109 SER C . 10316 1 1321 . 1 1 109 109 SER CA C 13 56.542 0.300 . 1 . . . . 109 SER CA . 10316 1 1322 . 1 1 109 109 SER CB C 13 63.264 0.300 . 1 . . . . 109 SER CB . 10316 1 1323 . 1 1 109 109 SER N N 15 116.371 0.300 . 1 . . . . 109 SER N . 10316 1 1324 . 1 1 110 110 PRO HA H 1 4.596 0.030 . 1 . . . . 110 PRO HA . 10316 1 1325 . 1 1 110 110 PRO HB2 H 1 2.258 0.030 . 2 . . . . 110 PRO HB2 . 10316 1 1326 . 1 1 110 110 PRO HB3 H 1 1.825 0.030 . 2 . . . . 110 PRO HB3 . 10316 1 1327 . 1 1 110 110 PRO HD2 H 1 3.655 0.030 . 2 . . . . 110 PRO HD2 . 10316 1 1328 . 1 1 110 110 PRO HD3 H 1 3.581 0.030 . 2 . . . . 110 PRO HD3 . 10316 1 1329 . 1 1 110 110 PRO HG2 H 1 2.009 0.030 . 2 . . . . 110 PRO HG2 . 10316 1 1330 . 1 1 110 110 PRO HG3 H 1 1.963 0.030 . 2 . . . . 110 PRO HG3 . 10316 1 1331 . 1 1 110 110 PRO CA C 13 61.559 0.300 . 1 . . . . 110 PRO CA . 10316 1 1332 . 1 1 110 110 PRO CB C 13 30.742 0.300 . 1 . . . . 110 PRO CB . 10316 1 1333 . 1 1 110 110 PRO CD C 13 50.573 0.300 . 1 . . . . 110 PRO CD . 10316 1 1334 . 1 1 110 110 PRO CG C 13 27.329 0.300 . 1 . . . . 110 PRO CG . 10316 1 1335 . 1 1 111 111 PRO HA H 1 4.362 0.030 . 1 . . . . 111 PRO HA . 10316 1 1336 . 1 1 111 111 PRO HB2 H 1 2.249 0.030 . 2 . . . . 111 PRO HB2 . 10316 1 1337 . 1 1 111 111 PRO HB3 H 1 1.868 0.030 . 2 . . . . 111 PRO HB3 . 10316 1 1338 . 1 1 111 111 PRO HD2 H 1 3.737 0.030 . 2 . . . . 111 PRO HD2 . 10316 1 1339 . 1 1 111 111 PRO HD3 H 1 3.551 0.030 . 2 . . . . 111 PRO HD3 . 10316 1 1340 . 1 1 111 111 PRO HG2 H 1 2.019 0.030 . 1 . . . . 111 PRO HG2 . 10316 1 1341 . 1 1 111 111 PRO HG3 H 1 2.019 0.030 . 1 . . . . 111 PRO HG3 . 10316 1 1342 . 1 1 111 111 PRO C C 13 176.382 0.300 . 1 . . . . 111 PRO C . 10316 1 1343 . 1 1 111 111 PRO CA C 13 62.702 0.300 . 1 . . . . 111 PRO CA . 10316 1 1344 . 1 1 111 111 PRO CB C 13 31.939 0.300 . 1 . . . . 111 PRO CB . 10316 1 1345 . 1 1 111 111 PRO CD C 13 50.520 0.300 . 1 . . . . 111 PRO CD . 10316 1 1346 . 1 1 111 111 PRO CG C 13 27.252 0.300 . 1 . . . . 111 PRO CG . 10316 1 1347 . 1 1 112 112 ALA H H 1 8.389 0.030 . 1 . . . . 112 ALA H . 10316 1 1348 . 1 1 112 112 ALA HA H 1 4.555 0.030 . 1 . . . . 112 ALA HA . 10316 1 1349 . 1 1 112 112 ALA HB1 H 1 1.352 0.030 . 1 . . . . 112 ALA HB . 10316 1 1350 . 1 1 112 112 ALA HB2 H 1 1.352 0.030 . 1 . . . . 112 ALA HB . 10316 1 1351 . 1 1 112 112 ALA HB3 H 1 1.352 0.030 . 1 . . . . 112 ALA HB . 10316 1 1352 . 1 1 112 112 ALA C C 13 175.756 0.300 . 1 . . . . 112 ALA C . 10316 1 1353 . 1 1 112 112 ALA CA C 13 50.332 0.300 . 1 . . . . 112 ALA CA . 10316 1 1354 . 1 1 112 112 ALA CB C 13 18.037 0.300 . 1 . . . . 112 ALA CB . 10316 1 1355 . 1 1 112 112 ALA N N 15 125.671 0.300 . 1 . . . . 112 ALA N . 10316 1 1356 . 1 1 113 113 PRO HA H 1 4.450 0.030 . 1 . . . . 113 PRO HA . 10316 1 1357 . 1 1 113 113 PRO HB2 H 1 2.297 0.030 . 2 . . . . 113 PRO HB2 . 10316 1 1358 . 1 1 113 113 PRO HB3 H 1 1.941 0.030 . 2 . . . . 113 PRO HB3 . 10316 1 1359 . 1 1 113 113 PRO HD2 H 1 3.637 0.030 . 2 . . . . 113 PRO HD2 . 10316 1 1360 . 1 1 113 113 PRO HD3 H 1 3.797 0.030 . 2 . . . . 113 PRO HD3 . 10316 1 1361 . 1 1 113 113 PRO HG2 H 1 2.020 0.030 . 1 . . . . 113 PRO HG2 . 10316 1 1362 . 1 1 113 113 PRO HG3 H 1 2.020 0.030 . 1 . . . . 113 PRO HG3 . 10316 1 1363 . 1 1 113 113 PRO C C 13 177.059 0.300 . 1 . . . . 113 PRO C . 10316 1 1364 . 1 1 113 113 PRO CA C 13 63.129 0.300 . 1 . . . . 113 PRO CA . 10316 1 1365 . 1 1 113 113 PRO CB C 13 32.221 0.300 . 1 . . . . 113 PRO CB . 10316 1 1366 . 1 1 113 113 PRO CD C 13 50.485 0.300 . 1 . . . . 113 PRO CD . 10316 1 1367 . 1 1 113 113 PRO CG C 13 27.052 0.300 . 1 . . . . 113 PRO CG . 10316 1 1368 . 1 1 114 114 SER H H 1 8.440 0.030 . 1 . . . . 114 SER H . 10316 1 1369 . 1 1 114 114 SER HA H 1 4.466 0.030 . 1 . . . . 114 SER HA . 10316 1 1370 . 1 1 114 114 SER C C 13 174.647 0.300 . 1 . . . . 114 SER C . 10316 1 1371 . 1 1 114 114 SER CA C 13 58.323 0.300 . 1 . . . . 114 SER CA . 10316 1 1372 . 1 1 114 114 SER CB C 13 64.128 0.300 . 1 . . . . 114 SER CB . 10316 1 1373 . 1 1 114 114 SER N N 15 116.196 0.300 . 1 . . . . 114 SER N . 10316 1 1374 . 1 1 115 115 GLY H H 1 8.236 0.030 . 1 . . . . 115 GLY H . 10316 1 1375 . 1 1 115 115 GLY HA2 H 1 4.156 0.030 . 2 . . . . 115 GLY HA2 . 10316 1 1376 . 1 1 115 115 GLY HA3 H 1 4.088 0.030 . 2 . . . . 115 GLY HA3 . 10316 1 1377 . 1 1 115 115 GLY C C 13 171.783 0.300 . 1 . . . . 115 GLY C . 10316 1 1378 . 1 1 115 115 GLY CA C 13 44.651 0.300 . 1 . . . . 115 GLY CA . 10316 1 1379 . 1 1 115 115 GLY N N 15 110.607 0.300 . 1 . . . . 115 GLY N . 10316 1 1380 . 1 1 116 116 PRO HD2 H 1 3.617 0.030 . 1 . . . . 116 PRO HD2 . 10316 1 1381 . 1 1 116 116 PRO HD3 H 1 3.617 0.030 . 1 . . . . 116 PRO HD3 . 10316 1 1382 . 1 1 116 116 PRO HG2 H 1 1.959 0.030 . 2 . . . . 116 PRO HG2 . 10316 1 1383 . 1 1 116 116 PRO HG3 H 1 2.021 0.030 . 2 . . . . 116 PRO HG3 . 10316 1 1384 . 1 1 116 116 PRO CA C 13 63.301 0.300 . 1 . . . . 116 PRO CA . 10316 1 1385 . 1 1 116 116 PRO CB C 13 32.217 0.300 . 1 . . . . 116 PRO CB . 10316 1 1386 . 1 1 116 116 PRO CD C 13 49.773 0.300 . 1 . . . . 116 PRO CD . 10316 1 1387 . 1 1 116 116 PRO CG C 13 27.418 0.300 . 1 . . . . 116 PRO CG . 10316 1 stop_ save_