data_18012 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18012 _Entry.Title ; Solution structure of N-terminal domain of human TIG3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-10-21 _Entry.Accession_date 2011-10-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Solution structure of N-terminal domain of human TIG3' _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 Lei Wang . . . 18012 2 Wenyu Yu . . . 18012 3 Bin Xia . . . 18012 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 'not applicable' 'not applicable' . 18012 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'human tumor suppressor II family' . 18012 NlpC/P60 . 18012 'NMR structure' . 18012 TIG3 . 18012 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18012 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 452 18012 '15N chemical shifts' 103 18012 '1H chemical shifts' 729 18012 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-06 2011-10-21 update BMRB 'update entry citation' 18012 1 . . 2012-02-10 2011-10-21 original author 'original release' 18012 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LKT 'BMRB Entry Tracking System' 18012 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18012 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22290676 _Citation.Full_citation . _Citation.Title '1H, 13C, and 15N resonance assignments of the N-terminal domain of human TIG3.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 201 _Citation.Page_last 203 _Citation.Year 2012 _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 Lei Wang . . . 18012 1 2 Wenyu Yu . . . 18012 1 3 Xiaobai Ren . . . 18012 1 4 Jian Lin . . . 18012 1 5 Changwen Jin . . . 18012 1 6 Bin Xia . . . 18012 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18012 _Assembly.ID 1 _Assembly.Name 'N-terminal domain of human TIG3' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'N-terminal domain of human TIG3' 1 $entity A . yes native no no . . . 18012 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18012 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASPHQEPKPGDLIEIFRLG YEHWALYIGDGYVIHLAPPS EYPGAGSSSVFSVLSNSAEV KRERLEDVVGGCCYRVNNSL DHEYQPRPVEVIISSAKEMV GQKMKYSIVSRNCEHFVTQL RYGKS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This is the N-terminal domain of human tumor suppressor protein' _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 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'NlpC/P60 structural domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14050.996 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 25448 . TIG3N . . . . . 100.00 125 100.00 100.00 5.24e-86 . . . . 18012 1 2 no BMRB 2545 . TIG3N . . . . . 100.00 125 100.00 100.00 5.24e-86 . . . . 18012 1 3 no PDB 2LKT . "Solution Structure Of N-Terminal Domain Of Human Tig3 In 2 M Urea" . . . . . 100.00 125 100.00 100.00 5.24e-86 . . . . 18012 1 4 no PDB 2MY9 . "Solution Structure Of N-terminal Domain Of Human Tig3" . . . . . 100.00 125 100.00 100.00 5.24e-86 . . . . 18012 1 5 no DBJ BAB08109 . "H-REV107 protein-related protein [Homo sapiens]" . . . . . 100.00 164 100.00 100.00 1.08e-86 . . . . 18012 1 6 no DBJ BAG35046 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 164 100.00 100.00 1.08e-86 . . . . 18012 1 7 no DBJ BAG56873 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 156 99.20 99.20 3.59e-84 . . . . 18012 1 8 no DBJ BAH22446 . "PLA1/2-3 [Homo sapiens]" . . . . . 100.00 164 100.00 100.00 1.08e-86 . . . . 18012 1 9 no GB AAC84000 . "retinoic acid receptor responder 3 [Homo sapiens]" . . . . . 100.00 164 98.40 98.40 9.39e-85 . . . . 18012 1 10 no GB AAF02294 . "retinoid inducible gene 1 [Homo sapiens]" . . . . . 100.00 164 100.00 100.00 1.08e-86 . . . . 18012 1 11 no GB AAH09678 . "Retinoic acid receptor responder (tazarotene induced) 3 [Homo sapiens]" . . . . . 100.00 164 100.00 100.00 1.08e-86 . . . . 18012 1 12 no GB ABM82370 . "retinoic acid receptor responder (tazarotene induced) 3 [synthetic construct]" . . . . . 100.00 164 100.00 100.00 1.08e-86 . . . . 18012 1 13 no GB ABM85548 . "retinoic acid receptor responder (tazarotene induced) 3 [synthetic construct]" . . . . . 100.00 164 100.00 100.00 1.08e-86 . . . . 18012 1 14 no REF NP_004576 . "retinoic acid receptor responder protein 3 [Homo sapiens]" . . . . . 100.00 164 100.00 100.00 1.08e-86 . . . . 18012 1 15 no REF XP_003828577 . "PREDICTED: retinoic acid receptor responder protein 3 [Pan paniscus]" . . . . . 100.00 164 100.00 100.00 1.21e-86 . . . . 18012 1 16 no REF XP_004051454 . "PREDICTED: retinoic acid receptor responder protein 3 [Gorilla gorilla gorilla]" . . . . . 100.00 164 99.20 99.20 1.60e-85 . . . . 18012 1 17 no REF XP_508513 . "PREDICTED: retinoic acid receptor responder protein 3 [Pan troglodytes]" . . . . . 100.00 164 100.00 100.00 1.21e-86 . . . . 18012 1 18 no SP Q9UL19 . "RecName: Full=Retinoic acid receptor responder protein 3; AltName: Full=HRAS-like suppressor 4; Short=HRSL4; AltName: Full=RAR-" . . . . . 100.00 164 100.00 100.00 1.08e-86 . . . . 18012 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18012 1 2 . ALA . 18012 1 3 . SER . 18012 1 4 . PRO . 18012 1 5 . HIS . 18012 1 6 . GLN . 18012 1 7 . GLU . 18012 1 8 . PRO . 18012 1 9 . LYS . 18012 1 10 . PRO . 18012 1 11 . GLY . 18012 1 12 . ASP . 18012 1 13 . LEU . 18012 1 14 . ILE . 18012 1 15 . GLU . 18012 1 16 . ILE . 18012 1 17 . PHE . 18012 1 18 . ARG . 18012 1 19 . LEU . 18012 1 20 . GLY . 18012 1 21 . TYR . 18012 1 22 . GLU . 18012 1 23 . HIS . 18012 1 24 . TRP . 18012 1 25 . ALA . 18012 1 26 . LEU . 18012 1 27 . TYR . 18012 1 28 . ILE . 18012 1 29 . GLY . 18012 1 30 . ASP . 18012 1 31 . GLY . 18012 1 32 . TYR . 18012 1 33 . VAL . 18012 1 34 . ILE . 18012 1 35 . HIS . 18012 1 36 . LEU . 18012 1 37 . ALA . 18012 1 38 . PRO . 18012 1 39 . PRO . 18012 1 40 . SER . 18012 1 41 . GLU . 18012 1 42 . TYR . 18012 1 43 . PRO . 18012 1 44 . GLY . 18012 1 45 . ALA . 18012 1 46 . GLY . 18012 1 47 . SER . 18012 1 48 . SER . 18012 1 49 . SER . 18012 1 50 . VAL . 18012 1 51 . PHE . 18012 1 52 . SER . 18012 1 53 . VAL . 18012 1 54 . LEU . 18012 1 55 . SER . 18012 1 56 . ASN . 18012 1 57 . SER . 18012 1 58 . ALA . 18012 1 59 . GLU . 18012 1 60 . VAL . 18012 1 61 . LYS . 18012 1 62 . ARG . 18012 1 63 . GLU . 18012 1 64 . ARG . 18012 1 65 . LEU . 18012 1 66 . GLU . 18012 1 67 . ASP . 18012 1 68 . VAL . 18012 1 69 . VAL . 18012 1 70 . GLY . 18012 1 71 . GLY . 18012 1 72 . CYS . 18012 1 73 . CYS . 18012 1 74 . TYR . 18012 1 75 . ARG . 18012 1 76 . VAL . 18012 1 77 . ASN . 18012 1 78 . ASN . 18012 1 79 . SER . 18012 1 80 . LEU . 18012 1 81 . ASP . 18012 1 82 . HIS . 18012 1 83 . GLU . 18012 1 84 . TYR . 18012 1 85 . GLN . 18012 1 86 . PRO . 18012 1 87 . ARG . 18012 1 88 . PRO . 18012 1 89 . VAL . 18012 1 90 . GLU . 18012 1 91 . VAL . 18012 1 92 . ILE . 18012 1 93 . ILE . 18012 1 94 . SER . 18012 1 95 . SER . 18012 1 96 . ALA . 18012 1 97 . LYS . 18012 1 98 . GLU . 18012 1 99 . MET . 18012 1 100 . VAL . 18012 1 101 . GLY . 18012 1 102 . GLN . 18012 1 103 . LYS . 18012 1 104 . MET . 18012 1 105 . LYS . 18012 1 106 . TYR . 18012 1 107 . SER . 18012 1 108 . ILE . 18012 1 109 . VAL . 18012 1 110 . SER . 18012 1 111 . ARG . 18012 1 112 . ASN . 18012 1 113 . CYS . 18012 1 114 . GLU . 18012 1 115 . HIS . 18012 1 116 . PHE . 18012 1 117 . VAL . 18012 1 118 . THR . 18012 1 119 . GLN . 18012 1 120 . LEU . 18012 1 121 . ARG . 18012 1 122 . TYR . 18012 1 123 . GLY . 18012 1 124 . LYS . 18012 1 125 . SER . 18012 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18012 1 . ALA 2 2 18012 1 . SER 3 3 18012 1 . PRO 4 4 18012 1 . HIS 5 5 18012 1 . GLN 6 6 18012 1 . GLU 7 7 18012 1 . PRO 8 8 18012 1 . LYS 9 9 18012 1 . PRO 10 10 18012 1 . GLY 11 11 18012 1 . ASP 12 12 18012 1 . LEU 13 13 18012 1 . ILE 14 14 18012 1 . GLU 15 15 18012 1 . ILE 16 16 18012 1 . PHE 17 17 18012 1 . ARG 18 18 18012 1 . LEU 19 19 18012 1 . GLY 20 20 18012 1 . TYR 21 21 18012 1 . GLU 22 22 18012 1 . HIS 23 23 18012 1 . TRP 24 24 18012 1 . ALA 25 25 18012 1 . LEU 26 26 18012 1 . TYR 27 27 18012 1 . ILE 28 28 18012 1 . GLY 29 29 18012 1 . ASP 30 30 18012 1 . GLY 31 31 18012 1 . TYR 32 32 18012 1 . VAL 33 33 18012 1 . ILE 34 34 18012 1 . HIS 35 35 18012 1 . LEU 36 36 18012 1 . ALA 37 37 18012 1 . PRO 38 38 18012 1 . PRO 39 39 18012 1 . SER 40 40 18012 1 . GLU 41 41 18012 1 . TYR 42 42 18012 1 . PRO 43 43 18012 1 . GLY 44 44 18012 1 . ALA 45 45 18012 1 . GLY 46 46 18012 1 . SER 47 47 18012 1 . SER 48 48 18012 1 . SER 49 49 18012 1 . VAL 50 50 18012 1 . PHE 51 51 18012 1 . SER 52 52 18012 1 . VAL 53 53 18012 1 . LEU 54 54 18012 1 . SER 55 55 18012 1 . ASN 56 56 18012 1 . SER 57 57 18012 1 . ALA 58 58 18012 1 . GLU 59 59 18012 1 . VAL 60 60 18012 1 . LYS 61 61 18012 1 . ARG 62 62 18012 1 . GLU 63 63 18012 1 . ARG 64 64 18012 1 . LEU 65 65 18012 1 . GLU 66 66 18012 1 . ASP 67 67 18012 1 . VAL 68 68 18012 1 . VAL 69 69 18012 1 . GLY 70 70 18012 1 . GLY 71 71 18012 1 . CYS 72 72 18012 1 . CYS 73 73 18012 1 . TYR 74 74 18012 1 . ARG 75 75 18012 1 . VAL 76 76 18012 1 . ASN 77 77 18012 1 . ASN 78 78 18012 1 . SER 79 79 18012 1 . LEU 80 80 18012 1 . ASP 81 81 18012 1 . HIS 82 82 18012 1 . GLU 83 83 18012 1 . TYR 84 84 18012 1 . GLN 85 85 18012 1 . PRO 86 86 18012 1 . ARG 87 87 18012 1 . PRO 88 88 18012 1 . VAL 89 89 18012 1 . GLU 90 90 18012 1 . VAL 91 91 18012 1 . ILE 92 92 18012 1 . ILE 93 93 18012 1 . SER 94 94 18012 1 . SER 95 95 18012 1 . ALA 96 96 18012 1 . LYS 97 97 18012 1 . GLU 98 98 18012 1 . MET 99 99 18012 1 . VAL 100 100 18012 1 . GLY 101 101 18012 1 . GLN 102 102 18012 1 . LYS 103 103 18012 1 . MET 104 104 18012 1 . LYS 105 105 18012 1 . TYR 106 106 18012 1 . SER 107 107 18012 1 . ILE 108 108 18012 1 . VAL 109 109 18012 1 . SER 110 110 18012 1 . ARG 111 111 18012 1 . ASN 112 112 18012 1 . CYS 113 113 18012 1 . GLU 114 114 18012 1 . HIS 115 115 18012 1 . PHE 116 116 18012 1 . VAL 117 117 18012 1 . THR 118 118 18012 1 . GLN 119 119 18012 1 . LEU 120 120 18012 1 . ARG 121 121 18012 1 . TYR 122 122 18012 1 . GLY 123 123 18012 1 . LYS 124 124 18012 1 . SER 125 125 18012 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 18012 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18012 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 18012 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET-21a . . . . . . 18012 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18012 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'TIG3N protein' '[U-13C; U-15N]' . . 1 $entity . . 0.5 . . mM . . . . 18012 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18012 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18012 1 4 DTT 'natural abundance' . . . . . . 20 . . mM . . . . 18012 1 5 urea 'natural abundance' . . . . . . 2 . . M . . . . 18012 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18012 1 7 D2O [U-2H] . . . . . . 5 . . % . . . . 18012 1 8 DSS 'natural abundance' . . . . . . 0.01 . . % . . . . 18012 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18012 _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' 100 . mM 18012 1 pH 7.0 . pH 18012 1 pressure 1 . atm 18012 1 temperature 308 . K 18012 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 18012 _Software.ID 1 _Software.Name AMBER _Software.Version 9.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 18012 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18012 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18012 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18012 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18012 2 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 18012 _Software.ID 3 _Software.Name DYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Braun and Wuthrich' . . 18012 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18012 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 18012 _Software.ID 4 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18012 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18012 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18012 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18012 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18012 5 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18012 _Software.ID 6 _Software.Name NMRView _Software.Version 5.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18012 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 18012 6 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 18012 _Software.ID 7 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 18012 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18012 7 stop_ save_ save_SANE _Software.Sf_category software _Software.Sf_framecode SANE _Software.Entry_ID 18012 _Software.ID 8 _Software.Name SANE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Duggan, Legge, Dyson & Wright' . . 18012 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18012 8 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18012 _Software.ID 9 _Software.Name TOPSPIN _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18012 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18012 9 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18012 _Software.ID 10 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18012 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18012 10 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 18012 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Bruker Avance 500 MHz spectrometer with a cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18012 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Bruker Avance 800 MHz spectrometer with a cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 18012 _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 . 500 'Bruker Avance 500 MHz spectrometer with a cryoprobe' . . 18012 1 2 spectrometer_2 Bruker Avance . 800 'Bruker Avance 800 MHz spectrometer with a cryoprobe' . . 18012 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 18012 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18012 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18012 1 3 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18012 1 4 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18012 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18012 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18012 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18012 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18012 1 9 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18012 1 10 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18012 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18012 1 12 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18012 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18012 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 'insert at center of experimental sample tube' . . . . . . . . 18012 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'insert at center of experimental sample tube' . . . . . . . . 18012 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 'insert at center of experimental sample tube' . . . . . . . . 18012 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18012 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18012 1 2 '3D 1H-15N NOESY' . . . 18012 1 5 '3D CBCA(CO)NH' . . . 18012 1 6 '3D HNCACB' . . . 18012 1 7 '3D HBHA(CO)NH' . . . 18012 1 8 '3D HNCO' . . . 18012 1 9 '3D HNCA' . . . 18012 1 10 '3D HN(CO)CA' . . . 18012 1 11 '3D HCCH-TOCSY' . . . 18012 1 12 '3D HCCH-COSY' . . . 18012 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 GLN HA H 1 4.299 0.01 . 1 . . . A 6 GLN HA . 18012 1 2 . 1 1 6 6 GLN HB2 H 1 1.876 0.01 . 2 . . . A 6 GLN HB2 . 18012 1 3 . 1 1 6 6 GLN HB3 H 1 1.968 0.01 . 2 . . . A 6 GLN HB3 . 18012 1 4 . 1 1 6 6 GLN HG2 H 1 2.190 0.01 . 2 . . . A 6 GLN HG2 . 18012 1 5 . 1 1 6 6 GLN HE21 H 1 7.520 0.01 . 2 . . . A 6 GLN HE21 . 18012 1 6 . 1 1 6 6 GLN HE22 H 1 6.913 0.01 . 2 . . . A 6 GLN HE22 . 18012 1 7 . 1 1 6 6 GLN CA C 13 55.174 0.1 . 1 . . . A 6 GLN CA . 18012 1 8 . 1 1 6 6 GLN CB C 13 29.776 0.1 . 1 . . . A 6 GLN CB . 18012 1 9 . 1 1 6 6 GLN CG C 13 33.541 0.1 . 1 . . . A 6 GLN CG . 18012 1 10 . 1 1 6 6 GLN NE2 N 15 111.914 0.1 . 1 . . . A 6 GLN NE2 . 18012 1 11 . 1 1 7 7 GLU H H 1 8.346 0.01 . 1 . . . A 7 GLU H . 18012 1 12 . 1 1 7 7 GLU HA H 1 4.497 0.01 . 1 . . . A 7 GLU HA . 18012 1 13 . 1 1 7 7 GLU HB2 H 1 1.878 0.01 . 2 . . . A 7 GLU HB2 . 18012 1 14 . 1 1 7 7 GLU HB3 H 1 1.965 0.01 . 2 . . . A 7 GLU HB3 . 18012 1 15 . 1 1 7 7 GLU HG2 H 1 2.297 0.01 . 2 . . . A 7 GLU HG2 . 18012 1 16 . 1 1 7 7 GLU HG3 H 1 2.354 0.01 . 2 . . . A 7 GLU HG3 . 18012 1 17 . 1 1 7 7 GLU C C 13 174.079 0.1 . 1 . . . A 7 GLU C . 18012 1 18 . 1 1 7 7 GLU CA C 13 53.950 0.1 . 1 . . . A 7 GLU CA . 18012 1 19 . 1 1 7 7 GLU CB C 13 29.912 0.1 . 1 . . . A 7 GLU CB . 18012 1 20 . 1 1 7 7 GLU CG C 13 35.483 0.1 . 1 . . . A 7 GLU CG . 18012 1 21 . 1 1 7 7 GLU N N 15 124.232 0.1 . 1 . . . A 7 GLU N . 18012 1 22 . 1 1 8 8 PRO HA H 1 4.360 0.01 . 1 . . . A 8 PRO HA . 18012 1 23 . 1 1 8 8 PRO HB2 H 1 0.782 0.01 . 2 . . . A 8 PRO HB2 . 18012 1 24 . 1 1 8 8 PRO HB3 H 1 1.672 0.01 . 2 . . . A 8 PRO HB3 . 18012 1 25 . 1 1 8 8 PRO HG2 H 1 1.353 0.01 . 2 . . . A 8 PRO HG2 . 18012 1 26 . 1 1 8 8 PRO HG3 H 1 1.118 0.01 . 2 . . . A 8 PRO HG3 . 18012 1 27 . 1 1 8 8 PRO HD2 H 1 3.204 0.01 . 2 . . . A 8 PRO HD2 . 18012 1 28 . 1 1 8 8 PRO HD3 H 1 3.701 0.01 . 2 . . . A 8 PRO HD3 . 18012 1 29 . 1 1 8 8 PRO CA C 13 62.398 0.1 . 1 . . . A 8 PRO CA . 18012 1 30 . 1 1 8 8 PRO CB C 13 31.400 0.1 . 1 . . . A 8 PRO CB . 18012 1 31 . 1 1 8 8 PRO CG C 13 26.900 0.1 . 1 . . . A 8 PRO CG . 18012 1 32 . 1 1 8 8 PRO CD C 13 50.221 0.1 . 1 . . . A 8 PRO CD . 18012 1 33 . 1 1 9 9 LYS H H 1 9.360 0.01 . 1 . . . A 9 LYS H . 18012 1 34 . 1 1 9 9 LYS HA H 1 4.886 0.01 . 1 . . . A 9 LYS HA . 18012 1 35 . 1 1 9 9 LYS HB2 H 1 1.826 0.01 . 2 . . . A 9 LYS HB2 . 18012 1 36 . 1 1 9 9 LYS HB3 H 1 1.802 0.01 . 2 . . . A 9 LYS HB3 . 18012 1 37 . 1 1 9 9 LYS HG2 H 1 1.550 0.01 . 2 . . . A 9 LYS HG2 . 18012 1 38 . 1 1 9 9 LYS HD2 H 1 1.760 0.01 . 2 . . . A 9 LYS HD2 . 18012 1 39 . 1 1 9 9 LYS HD3 H 1 2.344 0.01 . 2 . . . A 9 LYS HD3 . 18012 1 40 . 1 1 9 9 LYS HE2 H 1 3.080 0.01 . 2 . . . A 9 LYS HE2 . 18012 1 41 . 1 1 9 9 LYS C C 13 174.180 0.1 . 1 . . . A 9 LYS C . 18012 1 42 . 1 1 9 9 LYS CA C 13 53.070 0.1 . 1 . . . A 9 LYS CA . 18012 1 43 . 1 1 9 9 LYS CB C 13 32.224 0.1 . 1 . . . A 9 LYS CB . 18012 1 44 . 1 1 9 9 LYS CG C 13 24.500 0.1 . 1 . . . A 9 LYS CG . 18012 1 45 . 1 1 9 9 LYS CD C 13 28.800 0.1 . 1 . . . A 9 LYS CD . 18012 1 46 . 1 1 9 9 LYS CE C 13 42.400 0.1 . 1 . . . A 9 LYS CE . 18012 1 47 . 1 1 9 9 LYS N N 15 122.291 0.1 . 1 . . . A 9 LYS N . 18012 1 48 . 1 1 10 10 PRO HA H 1 3.910 0.01 . 1 . . . A 10 PRO HA . 18012 1 49 . 1 1 10 10 PRO HB3 H 1 1.860 0.01 . 2 . . . A 10 PRO HB3 . 18012 1 50 . 1 1 10 10 PRO HG2 H 1 1.961 0.01 . 2 . . . A 10 PRO HG2 . 18012 1 51 . 1 1 10 10 PRO HD2 H 1 4.090 0.01 . 2 . . . A 10 PRO HD2 . 18012 1 52 . 1 1 10 10 PRO HD3 H 1 3.753 0.01 . 2 . . . A 10 PRO HD3 . 18012 1 53 . 1 1 10 10 PRO CA C 13 64.534 0.1 . 1 . . . A 10 PRO CA . 18012 1 54 . 1 1 10 10 PRO CB C 13 31.263 0.1 . 1 . . . A 10 PRO CB . 18012 1 55 . 1 1 10 10 PRO CG C 13 28.198 0.1 . 1 . . . A 10 PRO CG . 18012 1 56 . 1 1 10 10 PRO CD C 13 50.406 0.1 . 1 . . . A 10 PRO CD . 18012 1 57 . 1 1 11 11 GLY H H 1 9.370 0.01 . 1 . . . A 11 GLY H . 18012 1 58 . 1 1 11 11 GLY HA2 H 1 4.293 0.01 . 2 . . . A 11 GLY HA2 . 18012 1 59 . 1 1 11 11 GLY HA3 H 1 3.287 0.01 . 2 . . . A 11 GLY HA3 . 18012 1 60 . 1 1 11 11 GLY C C 13 172.156 0.1 . 1 . . . A 11 GLY C . 18012 1 61 . 1 1 11 11 GLY CA C 13 44.963 0.1 . 1 . . . A 11 GLY CA . 18012 1 62 . 1 1 11 11 GLY N N 15 112.911 0.1 . 1 . . . A 11 GLY N . 18012 1 63 . 1 1 12 12 ASP H H 1 8.280 0.01 . 1 . . . A 12 ASP H . 18012 1 64 . 1 1 12 12 ASP HA H 1 4.870 0.01 . 1 . . . A 12 ASP HA . 18012 1 65 . 1 1 12 12 ASP HB2 H 1 2.660 0.01 . 2 . . . A 12 ASP HB2 . 18012 1 66 . 1 1 12 12 ASP HB3 H 1 2.920 0.01 . 2 . . . A 12 ASP HB3 . 18012 1 67 . 1 1 12 12 ASP C C 13 175.879 0.1 . 1 . . . A 12 ASP C . 18012 1 68 . 1 1 12 12 ASP CA C 13 55.120 0.1 . 1 . . . A 12 ASP CA . 18012 1 69 . 1 1 12 12 ASP CB C 13 42.845 0.1 . 1 . . . A 12 ASP CB . 18012 1 70 . 1 1 12 12 ASP N N 15 120.534 0.1 . 1 . . . A 12 ASP N . 18012 1 71 . 1 1 13 13 LEU H H 1 9.084 0.01 . 1 . . . A 13 LEU H . 18012 1 72 . 1 1 13 13 LEU HA H 1 4.968 0.01 . 1 . . . A 13 LEU HA . 18012 1 73 . 1 1 13 13 LEU HB2 H 1 1.584 0.01 . 2 . . . A 13 LEU HB2 . 18012 1 74 . 1 1 13 13 LEU HB3 H 1 2.730 0.01 . 2 . . . A 13 LEU HB3 . 18012 1 75 . 1 1 13 13 LEU HG H 1 2.150 0.01 . 1 . . . A 13 LEU HG . 18012 1 76 . 1 1 13 13 LEU HD11 H 1 0.892 0.01 . 2 . . . A 13 LEU HD11 . 18012 1 77 . 1 1 13 13 LEU HD12 H 1 0.892 0.01 . 2 . . . A 13 LEU HD12 . 18012 1 78 . 1 1 13 13 LEU HD13 H 1 0.892 0.01 . 2 . . . A 13 LEU HD13 . 18012 1 79 . 1 1 13 13 LEU HD21 H 1 1.282 0.01 . 2 . . . A 13 LEU HD21 . 18012 1 80 . 1 1 13 13 LEU HD22 H 1 1.282 0.01 . 2 . . . A 13 LEU HD22 . 18012 1 81 . 1 1 13 13 LEU HD23 H 1 1.282 0.01 . 2 . . . A 13 LEU HD23 . 18012 1 82 . 1 1 13 13 LEU C C 13 176.156 0.1 . 1 . . . A 13 LEU C . 18012 1 83 . 1 1 13 13 LEU CA C 13 53.900 0.1 . 1 . . . A 13 LEU CA . 18012 1 84 . 1 1 13 13 LEU CB C 13 41.246 0.1 . 1 . . . A 13 LEU CB . 18012 1 85 . 1 1 13 13 LEU CG C 13 26.200 0.1 . 1 . . . A 13 LEU CG . 18012 1 86 . 1 1 13 13 LEU CD1 C 13 23.470 0.1 . 1 . . . A 13 LEU CD1 . 18012 1 87 . 1 1 13 13 LEU CD2 C 13 26.977 0.1 . 1 . . . A 13 LEU CD2 . 18012 1 88 . 1 1 13 13 LEU N N 15 119.585 0.1 . 1 . . . A 13 LEU N . 18012 1 89 . 1 1 14 14 ILE H H 1 9.220 0.01 . 1 . . . A 14 ILE H . 18012 1 90 . 1 1 14 14 ILE HA H 1 4.610 0.01 . 1 . . . A 14 ILE HA . 18012 1 91 . 1 1 14 14 ILE HB H 1 1.664 0.01 . 1 . . . A 14 ILE HB . 18012 1 92 . 1 1 14 14 ILE HG12 H 1 1.334 0.01 . 1 . . . A 14 ILE HG12 . 18012 1 93 . 1 1 14 14 ILE HG13 H 1 1.182 0.01 . 1 . . . A 14 ILE HG13 . 18012 1 94 . 1 1 14 14 ILE HG21 H 1 0.547 0.01 . 1 . . . A 14 ILE HG21 . 18012 1 95 . 1 1 14 14 ILE HG22 H 1 0.547 0.01 . 1 . . . A 14 ILE HG22 . 18012 1 96 . 1 1 14 14 ILE HG23 H 1 0.547 0.01 . 1 . . . A 14 ILE HG23 . 18012 1 97 . 1 1 14 14 ILE HD11 H 1 0.575 0.01 . 1 . . . A 14 ILE HD11 . 18012 1 98 . 1 1 14 14 ILE HD12 H 1 0.575 0.01 . 1 . . . A 14 ILE HD12 . 18012 1 99 . 1 1 14 14 ILE HD13 H 1 0.575 0.01 . 1 . . . A 14 ILE HD13 . 18012 1 100 . 1 1 14 14 ILE C C 13 172.370 0.1 . 1 . . . A 14 ILE C . 18012 1 101 . 1 1 14 14 ILE CA C 13 57.992 0.1 . 1 . . . A 14 ILE CA . 18012 1 102 . 1 1 14 14 ILE CB C 13 39.097 0.1 . 1 . . . A 14 ILE CB . 18012 1 103 . 1 1 14 14 ILE CG1 C 13 26.540 0.1 . 1 . . . A 14 ILE CG1 . 18012 1 104 . 1 1 14 14 ILE CG2 C 13 17.292 0.1 . 1 . . . A 14 ILE CG2 . 18012 1 105 . 1 1 14 14 ILE CD1 C 13 12.000 0.1 . 1 . . . A 14 ILE CD1 . 18012 1 106 . 1 1 14 14 ILE N N 15 121.397 0.1 . 1 . . . A 14 ILE N . 18012 1 107 . 1 1 15 15 GLU H H 1 8.630 0.01 . 1 . . . A 15 GLU H . 18012 1 108 . 1 1 15 15 GLU HA H 1 3.246 0.01 . 1 . . . A 15 GLU HA . 18012 1 109 . 1 1 15 15 GLU HB2 H 1 1.398 0.01 . 2 . . . A 15 GLU HB2 . 18012 1 110 . 1 1 15 15 GLU HB3 H 1 0.088 0.01 . 2 . . . A 15 GLU HB3 . 18012 1 111 . 1 1 15 15 GLU HG2 H 1 0.665 0.01 . 2 . . . A 15 GLU HG2 . 18012 1 112 . 1 1 15 15 GLU HG3 H 1 0.743 0.01 . 2 . . . A 15 GLU HG3 . 18012 1 113 . 1 1 15 15 GLU C C 13 173.896 0.1 . 1 . . . A 15 GLU C . 18012 1 114 . 1 1 15 15 GLU CA C 13 54.323 0.1 . 1 . . . A 15 GLU CA . 18012 1 115 . 1 1 15 15 GLU CB C 13 31.698 0.1 . 1 . . . A 15 GLU CB . 18012 1 116 . 1 1 15 15 GLU CG C 13 35.153 0.1 . 1 . . . A 15 GLU CG . 18012 1 117 . 1 1 15 15 GLU N N 15 129.258 0.1 . 1 . . . A 15 GLU N . 18012 1 118 . 1 1 16 16 ILE H H 1 8.568 0.01 . 1 . . . A 16 ILE H . 18012 1 119 . 1 1 16 16 ILE HA H 1 4.120 0.01 . 1 . . . A 16 ILE HA . 18012 1 120 . 1 1 16 16 ILE HB H 1 1.616 0.01 . 1 . . . A 16 ILE HB . 18012 1 121 . 1 1 16 16 ILE HG12 H 1 0.500 0.01 . 1 . . . A 16 ILE HG12 . 18012 1 122 . 1 1 16 16 ILE HG13 H 1 1.386 0.01 . 1 . . . A 16 ILE HG13 . 18012 1 123 . 1 1 16 16 ILE HG21 H 1 0.846 0.01 . 1 . . . A 16 ILE HG21 . 18012 1 124 . 1 1 16 16 ILE HG22 H 1 0.846 0.01 . 1 . . . A 16 ILE HG22 . 18012 1 125 . 1 1 16 16 ILE HG23 H 1 0.846 0.01 . 1 . . . A 16 ILE HG23 . 18012 1 126 . 1 1 16 16 ILE HD11 H 1 0.463 0.01 . 1 . . . A 16 ILE HD11 . 18012 1 127 . 1 1 16 16 ILE HD12 H 1 0.463 0.01 . 1 . . . A 16 ILE HD12 . 18012 1 128 . 1 1 16 16 ILE HD13 H 1 0.463 0.01 . 1 . . . A 16 ILE HD13 . 18012 1 129 . 1 1 16 16 ILE C C 13 175.452 0.1 . 1 . . . A 16 ILE C . 18012 1 130 . 1 1 16 16 ILE CA C 13 60.500 0.1 . 1 . . . A 16 ILE CA . 18012 1 131 . 1 1 16 16 ILE CB C 13 40.200 0.1 . 1 . . . A 16 ILE CB . 18012 1 132 . 1 1 16 16 ILE CG1 C 13 28.000 0.1 . 1 . . . A 16 ILE CG1 . 18012 1 133 . 1 1 16 16 ILE CG2 C 13 18.600 0.1 . 1 . . . A 16 ILE CG2 . 18012 1 134 . 1 1 16 16 ILE CD1 C 13 15.400 0.1 . 1 . . . A 16 ILE CD1 . 18012 1 135 . 1 1 16 16 ILE N N 15 125.034 0.1 . 1 . . . A 16 ILE N . 18012 1 136 . 1 1 17 17 PHE H H 1 8.505 0.01 . 1 . . . A 17 PHE H . 18012 1 137 . 1 1 17 17 PHE HA H 1 4.510 0.01 . 1 . . . A 17 PHE HA . 18012 1 138 . 1 1 17 17 PHE HB2 H 1 2.910 0.01 . 2 . . . A 17 PHE HB2 . 18012 1 139 . 1 1 17 17 PHE HB3 H 1 3.150 0.01 . 2 . . . A 17 PHE HB3 . 18012 1 140 . 1 1 17 17 PHE HD2 H 1 7.116 0.01 . 3 . . . A 17 PHE HD2 . 18012 1 141 . 1 1 17 17 PHE C C 13 175.487 0.1 . 1 . . . A 17 PHE C . 18012 1 142 . 1 1 17 17 PHE CA C 13 58.939 0.1 . 1 . . . A 17 PHE CA . 18012 1 143 . 1 1 17 17 PHE CB C 13 37.610 0.1 . 1 . . . A 17 PHE CB . 18012 1 144 . 1 1 17 17 PHE N N 15 126.755 0.1 . 1 . . . A 17 PHE N . 18012 1 145 . 1 1 18 18 ARG H H 1 7.699 0.01 . 1 . . . A 18 ARG H . 18012 1 146 . 1 1 18 18 ARG HA H 1 4.630 0.01 . 1 . . . A 18 ARG HA . 18012 1 147 . 1 1 18 18 ARG HB2 H 1 0.790 0.01 . 2 . . . A 18 ARG HB2 . 18012 1 148 . 1 1 18 18 ARG HB3 H 1 1.550 0.01 . 2 . . . A 18 ARG HB3 . 18012 1 149 . 1 1 18 18 ARG HG2 H 1 1.550 0.01 . 2 . . . A 18 ARG HG2 . 18012 1 150 . 1 1 18 18 ARG HG3 H 1 1.323 0.01 . 2 . . . A 18 ARG HG3 . 18012 1 151 . 1 1 18 18 ARG HD2 H 1 2.918 0.01 . 2 . . . A 18 ARG HD2 . 18012 1 152 . 1 1 18 18 ARG HD3 H 1 3.141 0.01 . 2 . . . A 18 ARG HD3 . 18012 1 153 . 1 1 18 18 ARG C C 13 175.244 0.1 . 1 . . . A 18 ARG C . 18012 1 154 . 1 1 18 18 ARG CA C 13 54.482 0.1 . 1 . . . A 18 ARG CA . 18012 1 155 . 1 1 18 18 ARG CB C 13 30.206 0.1 . 1 . . . A 18 ARG CB . 18012 1 156 . 1 1 18 18 ARG CG C 13 27.800 0.1 . 1 . . . A 18 ARG CG . 18012 1 157 . 1 1 18 18 ARG CD C 13 44.200 0.1 . 1 . . . A 18 ARG CD . 18012 1 158 . 1 1 18 18 ARG N N 15 124.386 0.1 . 1 . . . A 18 ARG N . 18012 1 159 . 1 1 19 19 LEU H H 1 8.158 0.01 . 1 . . . A 19 LEU H . 18012 1 160 . 1 1 19 19 LEU HA H 1 4.440 0.01 . 1 . . . A 19 LEU HA . 18012 1 161 . 1 1 19 19 LEU HB2 H 1 1.622 0.01 . 2 . . . A 19 LEU HB2 . 18012 1 162 . 1 1 19 19 LEU HB3 H 1 1.830 0.01 . 2 . . . A 19 LEU HB3 . 18012 1 163 . 1 1 19 19 LEU HG H 1 1.610 0.01 . 1 . . . A 19 LEU HG . 18012 1 164 . 1 1 19 19 LEU HD11 H 1 0.932 0.01 . 2 . . . A 19 LEU HD11 . 18012 1 165 . 1 1 19 19 LEU HD12 H 1 0.932 0.01 . 2 . . . A 19 LEU HD12 . 18012 1 166 . 1 1 19 19 LEU HD13 H 1 0.932 0.01 . 2 . . . A 19 LEU HD13 . 18012 1 167 . 1 1 19 19 LEU HD21 H 1 0.974 0.01 . 2 . . . A 19 LEU HD21 . 18012 1 168 . 1 1 19 19 LEU HD22 H 1 0.974 0.01 . 2 . . . A 19 LEU HD22 . 18012 1 169 . 1 1 19 19 LEU HD23 H 1 0.974 0.01 . 2 . . . A 19 LEU HD23 . 18012 1 170 . 1 1 19 19 LEU C C 13 176.337 0.1 . 1 . . . A 19 LEU C . 18012 1 171 . 1 1 19 19 LEU CA C 13 56.400 0.1 . 1 . . . A 19 LEU CA . 18012 1 172 . 1 1 19 19 LEU CB C 13 40.296 0.1 . 1 . . . A 19 LEU CB . 18012 1 173 . 1 1 19 19 LEU CG C 13 27.148 0.1 . 1 . . . A 19 LEU CG . 18012 1 174 . 1 1 19 19 LEU CD1 C 13 24.700 0.1 . 1 . . . A 19 LEU CD1 . 18012 1 175 . 1 1 19 19 LEU CD2 C 13 24.227 0.1 . 1 . . . A 19 LEU CD2 . 18012 1 176 . 1 1 19 19 LEU N N 15 121.271 0.1 . 1 . . . A 19 LEU N . 18012 1 177 . 1 1 20 20 GLY H H 1 8.679 0.01 . 1 . . . A 20 GLY H . 18012 1 178 . 1 1 20 20 GLY HA2 H 1 3.790 0.01 . 2 . . . A 20 GLY HA2 . 18012 1 179 . 1 1 20 20 GLY HA3 H 1 4.368 0.01 . 2 . . . A 20 GLY HA3 . 18012 1 180 . 1 1 20 20 GLY C C 13 173.438 0.1 . 1 . . . A 20 GLY C . 18012 1 181 . 1 1 20 20 GLY CA C 13 45.870 0.1 . 1 . . . A 20 GLY CA . 18012 1 182 . 1 1 20 20 GLY N N 15 115.594 0.1 . 1 . . . A 20 GLY N . 18012 1 183 . 1 1 21 21 TYR H H 1 7.430 0.01 . 1 . . . A 21 TYR H . 18012 1 184 . 1 1 21 21 TYR HA H 1 4.760 0.01 . 1 . . . A 21 TYR HA . 18012 1 185 . 1 1 21 21 TYR HB2 H 1 3.036 0.01 . 2 . . . A 21 TYR HB2 . 18012 1 186 . 1 1 21 21 TYR HB3 H 1 3.370 0.01 . 2 . . . A 21 TYR HB3 . 18012 1 187 . 1 1 21 21 TYR HD1 H 1 7.127 0.01 . 3 . . . A 21 TYR HD1 . 18012 1 188 . 1 1 21 21 TYR C C 13 171.973 0.1 . 1 . . . A 21 TYR C . 18012 1 189 . 1 1 21 21 TYR CA C 13 56.800 0.1 . 1 . . . A 21 TYR CA . 18012 1 190 . 1 1 21 21 TYR CB C 13 38.520 0.1 . 1 . . . A 21 TYR CB . 18012 1 191 . 1 1 21 21 TYR N N 15 115.815 0.1 . 1 . . . A 21 TYR N . 18012 1 192 . 1 1 22 22 GLU H H 1 8.240 0.01 . 1 . . . A 22 GLU H . 18012 1 193 . 1 1 22 22 GLU HA H 1 5.170 0.01 . 1 . . . A 22 GLU HA . 18012 1 194 . 1 1 22 22 GLU HB2 H 1 1.539 0.01 . 2 . . . A 22 GLU HB2 . 18012 1 195 . 1 1 22 22 GLU HB3 H 1 2.295 0.01 . 2 . . . A 22 GLU HB3 . 18012 1 196 . 1 1 22 22 GLU HG2 H 1 2.477 0.01 . 2 . . . A 22 GLU HG2 . 18012 1 197 . 1 1 22 22 GLU HG3 H 1 1.860 0.01 . 2 . . . A 22 GLU HG3 . 18012 1 198 . 1 1 22 22 GLU C C 13 175.269 0.1 . 1 . . . A 22 GLU C . 18012 1 199 . 1 1 22 22 GLU CA C 13 56.190 0.1 . 1 . . . A 22 GLU CA . 18012 1 200 . 1 1 22 22 GLU CB C 13 32.082 0.1 . 1 . . . A 22 GLU CB . 18012 1 201 . 1 1 22 22 GLU CG C 13 38.627 0.1 . 1 . . . A 22 GLU CG . 18012 1 202 . 1 1 22 22 GLU N N 15 116.614 0.1 . 1 . . . A 22 GLU N . 18012 1 203 . 1 1 23 23 HIS H H 1 8.945 0.01 . 1 . . . A 23 HIS H . 18012 1 204 . 1 1 23 23 HIS HA H 1 5.580 0.01 . 1 . . . A 23 HIS HA . 18012 1 205 . 1 1 23 23 HIS HB2 H 1 2.674 0.01 . 2 . . . A 23 HIS HB2 . 18012 1 206 . 1 1 23 23 HIS HB3 H 1 3.026 0.01 . 2 . . . A 23 HIS HB3 . 18012 1 207 . 1 1 23 23 HIS HD2 H 1 6.882 0.01 . 1 . . . A 23 HIS HD2 . 18012 1 208 . 1 1 23 23 HIS HE1 H 1 7.866 0.01 . 1 . . . A 23 HIS HE1 . 18012 1 209 . 1 1 23 23 HIS C C 13 172.584 0.1 . 1 . . . A 23 HIS C . 18012 1 210 . 1 1 23 23 HIS CA C 13 54.300 0.1 . 1 . . . A 23 HIS CA . 18012 1 211 . 1 1 23 23 HIS CB C 13 34.388 0.1 . 1 . . . A 23 HIS CB . 18012 1 212 . 1 1 23 23 HIS N N 15 122.075 0.1 . 1 . . . A 23 HIS N . 18012 1 213 . 1 1 24 24 TRP H H 1 6.819 0.01 . 1 . . . A 24 TRP H . 18012 1 214 . 1 1 24 24 TRP HA H 1 5.690 0.01 . 1 . . . A 24 TRP HA . 18012 1 215 . 1 1 24 24 TRP HB2 H 1 3.290 0.01 . 2 . . . A 24 TRP HB2 . 18012 1 216 . 1 1 24 24 TRP HB3 H 1 2.570 0.01 . 2 . . . A 24 TRP HB3 . 18012 1 217 . 1 1 24 24 TRP HD1 H 1 7.451 0.01 . 1 . . . A 24 TRP HD1 . 18012 1 218 . 1 1 24 24 TRP HE1 H 1 10.153 0.01 . 1 . . . A 24 TRP HE1 . 18012 1 219 . 1 1 24 24 TRP HZ3 H 1 7.557 0.01 . 1 . . . A 24 TRP HZ3 . 18012 1 220 . 1 1 24 24 TRP C C 13 174.597 0.1 . 1 . . . A 24 TRP C . 18012 1 221 . 1 1 24 24 TRP CA C 13 55.705 0.1 . 1 . . . A 24 TRP CA . 18012 1 222 . 1 1 24 24 TRP CB C 13 33.377 0.1 . 1 . . . A 24 TRP CB . 18012 1 223 . 1 1 24 24 TRP N N 15 124.449 0.1 . 1 . . . A 24 TRP N . 18012 1 224 . 1 1 24 24 TRP NE1 N 15 129.906 0.1 . 1 . . . A 24 TRP NE1 . 18012 1 225 . 1 1 25 25 ALA H H 1 9.340 0.01 . 1 . . . A 25 ALA H . 18012 1 226 . 1 1 25 25 ALA HA H 1 4.876 0.01 . 1 . . . A 25 ALA HA . 18012 1 227 . 1 1 25 25 ALA HB1 H 1 1.070 0.01 . 1 . . . A 25 ALA HB1 . 18012 1 228 . 1 1 25 25 ALA HB2 H 1 1.070 0.01 . 1 . . . A 25 ALA HB2 . 18012 1 229 . 1 1 25 25 ALA HB3 H 1 1.070 0.01 . 1 . . . A 25 ALA HB3 . 18012 1 230 . 1 1 25 25 ALA C C 13 173.041 0.1 . 1 . . . A 25 ALA C . 18012 1 231 . 1 1 25 25 ALA CA C 13 50.281 0.1 . 1 . . . A 25 ALA CA . 18012 1 232 . 1 1 25 25 ALA CB C 13 22.953 0.1 . 1 . . . A 25 ALA CB . 18012 1 233 . 1 1 25 25 ALA N N 15 121.132 0.1 . 1 . . . A 25 ALA N . 18012 1 234 . 1 1 26 26 LEU H H 1 8.850 0.01 . 1 . . . A 26 LEU H . 18012 1 235 . 1 1 26 26 LEU HA H 1 5.260 0.01 . 1 . . . A 26 LEU HA . 18012 1 236 . 1 1 26 26 LEU HB2 H 1 1.259 0.01 . 2 . . . A 26 LEU HB2 . 18012 1 237 . 1 1 26 26 LEU HB3 H 1 1.940 0.01 . 2 . . . A 26 LEU HB3 . 18012 1 238 . 1 1 26 26 LEU HG H 1 0.602 0.01 . 1 . . . A 26 LEU HG . 18012 1 239 . 1 1 26 26 LEU HD11 H 1 0.739 0.01 . 2 . . . A 26 LEU HD11 . 18012 1 240 . 1 1 26 26 LEU HD12 H 1 0.739 0.01 . 2 . . . A 26 LEU HD12 . 18012 1 241 . 1 1 26 26 LEU HD13 H 1 0.739 0.01 . 2 . . . A 26 LEU HD13 . 18012 1 242 . 1 1 26 26 LEU HD21 H 1 1.333 0.01 . 2 . . . A 26 LEU HD21 . 18012 1 243 . 1 1 26 26 LEU HD22 H 1 1.333 0.01 . 2 . . . A 26 LEU HD22 . 18012 1 244 . 1 1 26 26 LEU HD23 H 1 1.333 0.01 . 2 . . . A 26 LEU HD23 . 18012 1 245 . 1 1 26 26 LEU C C 13 175.848 0.1 . 1 . . . A 26 LEU C . 18012 1 246 . 1 1 26 26 LEU CA C 13 53.365 0.1 . 1 . . . A 26 LEU CA . 18012 1 247 . 1 1 26 26 LEU CB C 13 45.343 0.1 . 1 . . . A 26 LEU CB . 18012 1 248 . 1 1 26 26 LEU CG C 13 27.700 0.1 . 1 . . . A 26 LEU CG . 18012 1 249 . 1 1 26 26 LEU CD1 C 13 25.600 0.1 . 1 . . . A 26 LEU CD1 . 18012 1 250 . 1 1 26 26 LEU CD2 C 13 26.800 0.1 . 1 . . . A 26 LEU CD2 . 18012 1 251 . 1 1 26 26 LEU N N 15 122.445 0.1 . 1 . . . A 26 LEU N . 18012 1 252 . 1 1 27 27 TYR H H 1 9.747 0.01 . 1 . . . A 27 TYR H . 18012 1 253 . 1 1 27 27 TYR HA H 1 4.770 0.01 . 1 . . . A 27 TYR HA . 18012 1 254 . 1 1 27 27 TYR HB2 H 1 3.224 0.01 . 2 . . . A 27 TYR HB2 . 18012 1 255 . 1 1 27 27 TYR HB3 H 1 2.745 0.01 . 2 . . . A 27 TYR HB3 . 18012 1 256 . 1 1 27 27 TYR HD1 H 1 6.750 0.01 . 3 . . . A 27 TYR HD1 . 18012 1 257 . 1 1 27 27 TYR HE1 H 1 7.170 0.01 . 3 . . . A 27 TYR HE1 . 18012 1 258 . 1 1 27 27 TYR C C 13 175.848 0.1 . 1 . . . A 27 TYR C . 18012 1 259 . 1 1 27 27 TYR CA C 13 59.641 0.1 . 1 . . . A 27 TYR CA . 18012 1 260 . 1 1 27 27 TYR CB C 13 38.670 0.1 . 1 . . . A 27 TYR CB . 18012 1 261 . 1 1 27 27 TYR N N 15 127.978 0.1 . 1 . . . A 27 TYR N . 18012 1 262 . 1 1 28 28 ILE H H 1 8.207 0.01 . 1 . . . A 28 ILE H . 18012 1 263 . 1 1 28 28 ILE HA H 1 4.557 0.01 . 1 . . . A 28 ILE HA . 18012 1 264 . 1 1 28 28 ILE HB H 1 2.090 0.01 . 1 . . . A 28 ILE HB . 18012 1 265 . 1 1 28 28 ILE HG12 H 1 0.641 0.01 . 1 . . . A 28 ILE HG12 . 18012 1 266 . 1 1 28 28 ILE HG13 H 1 1.323 0.01 . 1 . . . A 28 ILE HG13 . 18012 1 267 . 1 1 28 28 ILE HG21 H 1 0.798 0.01 . 1 . . . A 28 ILE HG21 . 18012 1 268 . 1 1 28 28 ILE HG22 H 1 0.798 0.01 . 1 . . . A 28 ILE HG22 . 18012 1 269 . 1 1 28 28 ILE HG23 H 1 0.798 0.01 . 1 . . . A 28 ILE HG23 . 18012 1 270 . 1 1 28 28 ILE HD11 H 1 0.682 0.01 . 1 . . . A 28 ILE HD11 . 18012 1 271 . 1 1 28 28 ILE HD12 H 1 0.682 0.01 . 1 . . . A 28 ILE HD12 . 18012 1 272 . 1 1 28 28 ILE HD13 H 1 0.682 0.01 . 1 . . . A 28 ILE HD13 . 18012 1 273 . 1 1 28 28 ILE C C 13 174.750 0.1 . 1 . . . A 28 ILE C . 18012 1 274 . 1 1 28 28 ILE CA C 13 60.519 0.1 . 1 . . . A 28 ILE CA . 18012 1 275 . 1 1 28 28 ILE CB C 13 38.900 0.1 . 1 . . . A 28 ILE CB . 18012 1 276 . 1 1 28 28 ILE CG1 C 13 26.977 0.1 . 1 . . . A 28 ILE CG1 . 18012 1 277 . 1 1 28 28 ILE CG2 C 13 18.020 0.1 . 1 . . . A 28 ILE CG2 . 18012 1 278 . 1 1 28 28 ILE CD1 C 13 14.052 0.1 . 1 . . . A 28 ILE CD1 . 18012 1 279 . 1 1 28 28 ILE N N 15 119.679 0.1 . 1 . . . A 28 ILE N . 18012 1 280 . 1 1 29 29 GLY H H 1 6.600 0.01 . 1 . . . A 29 GLY H . 18012 1 281 . 1 1 29 29 GLY HA2 H 1 3.540 0.01 . 2 . . . A 29 GLY HA2 . 18012 1 282 . 1 1 29 29 GLY HA3 H 1 4.571 0.01 . 2 . . . A 29 GLY HA3 . 18012 1 283 . 1 1 29 29 GLY CA C 13 44.000 0.1 . 1 . . . A 29 GLY CA . 18012 1 284 . 1 1 30 30 ASP HA H 1 4.433 0.01 . 1 . . . A 30 ASP HA . 18012 1 285 . 1 1 30 30 ASP HB2 H 1 3.088 0.01 . 2 . . . A 30 ASP HB2 . 18012 1 286 . 1 1 30 30 ASP HB3 H 1 2.735 0.01 . 2 . . . A 30 ASP HB3 . 18012 1 287 . 1 1 30 30 ASP C C 13 124.898 0.1 . 1 . . . A 30 ASP C . 18012 1 288 . 1 1 30 30 ASP CA C 13 55.640 0.1 . 1 . . . A 30 ASP CA . 18012 1 289 . 1 1 30 30 ASP CB C 13 40.253 0.1 . 1 . . . A 30 ASP CB . 18012 1 290 . 1 1 31 31 GLY H H 1 8.123 0.01 . 1 . . . A 31 GLY H . 18012 1 291 . 1 1 31 31 GLY HA2 H 1 4.264 0.01 . 2 . . . A 31 GLY HA2 . 18012 1 292 . 1 1 31 31 GLY HA3 H 1 3.919 0.01 . 2 . . . A 31 GLY HA3 . 18012 1 293 . 1 1 31 31 GLY C C 13 174.597 0.1 . 1 . . . A 31 GLY C . 18012 1 294 . 1 1 31 31 GLY CA C 13 45.538 0.1 . 1 . . . A 31 GLY CA . 18012 1 295 . 1 1 31 31 GLY N N 15 124.953 0.1 . 1 . . . A 31 GLY N . 18012 1 296 . 1 1 32 32 TYR H H 1 7.840 0.01 . 1 . . . A 32 TYR H . 18012 1 297 . 1 1 32 32 TYR HA H 1 4.930 0.01 . 1 . . . A 32 TYR HA . 18012 1 298 . 1 1 32 32 TYR HB2 H 1 2.602 0.01 . 2 . . . A 32 TYR HB2 . 18012 1 299 . 1 1 32 32 TYR HB3 H 1 2.842 0.01 . 2 . . . A 32 TYR HB3 . 18012 1 300 . 1 1 32 32 TYR HD1 H 1 6.900 0.01 . 3 . . . A 32 TYR HD1 . 18012 1 301 . 1 1 32 32 TYR HD2 H 1 6.855 0.01 . 3 . . . A 32 TYR HD2 . 18012 1 302 . 1 1 32 32 TYR HE1 H 1 6.788 0.01 . 3 . . . A 32 TYR HE1 . 18012 1 303 . 1 1 32 32 TYR C C 13 174.689 0.1 . 1 . . . A 32 TYR C . 18012 1 304 . 1 1 32 32 TYR CA C 13 58.737 0.1 . 1 . . . A 32 TYR CA . 18012 1 305 . 1 1 32 32 TYR CB C 13 42.026 0.1 . 1 . . . A 32 TYR CB . 18012 1 306 . 1 1 32 32 TYR N N 15 120.143 0.1 . 1 . . . A 32 TYR N . 18012 1 307 . 1 1 33 33 VAL H H 1 9.250 0.01 . 1 . . . A 33 VAL H . 18012 1 308 . 1 1 33 33 VAL HA H 1 5.460 0.01 . 1 . . . A 33 VAL HA . 18012 1 309 . 1 1 33 33 VAL HB H 1 2.040 0.01 . 1 . . . A 33 VAL HB . 18012 1 310 . 1 1 33 33 VAL HG11 H 1 0.789 0.01 . 2 . . . A 33 VAL HG11 . 18012 1 311 . 1 1 33 33 VAL HG12 H 1 0.789 0.01 . 2 . . . A 33 VAL HG12 . 18012 1 312 . 1 1 33 33 VAL HG13 H 1 0.789 0.01 . 2 . . . A 33 VAL HG13 . 18012 1 313 . 1 1 33 33 VAL HG21 H 1 0.440 0.01 . 2 . . . A 33 VAL HG21 . 18012 1 314 . 1 1 33 33 VAL HG22 H 1 0.440 0.01 . 2 . . . A 33 VAL HG22 . 18012 1 315 . 1 1 33 33 VAL HG23 H 1 0.440 0.01 . 2 . . . A 33 VAL HG23 . 18012 1 316 . 1 1 33 33 VAL C C 13 174.689 0.1 . 1 . . . A 33 VAL C . 18012 1 317 . 1 1 33 33 VAL CA C 13 57.301 0.1 . 1 . . . A 33 VAL CA . 18012 1 318 . 1 1 33 33 VAL CB C 13 35.157 0.1 . 1 . . . A 33 VAL CB . 18012 1 319 . 1 1 33 33 VAL CG1 C 13 23.200 0.1 . 1 . . . A 33 VAL CG1 . 18012 1 320 . 1 1 33 33 VAL CG2 C 13 18.700 0.1 . 1 . . . A 33 VAL CG2 . 18012 1 321 . 1 1 33 33 VAL N N 15 110.190 0.1 . 1 . . . A 33 VAL N . 18012 1 322 . 1 1 34 34 ILE H H 1 9.086 0.01 . 1 . . . A 34 ILE H . 18012 1 323 . 1 1 34 34 ILE HA H 1 5.576 0.01 . 1 . . . A 34 ILE HA . 18012 1 324 . 1 1 34 34 ILE HB H 1 1.480 0.01 . 1 . . . A 34 ILE HB . 18012 1 325 . 1 1 34 34 ILE HG12 H 1 1.090 0.01 . 1 . . . A 34 ILE HG12 . 18012 1 326 . 1 1 34 34 ILE HG13 H 1 1.685 0.01 . 1 . . . A 34 ILE HG13 . 18012 1 327 . 1 1 34 34 ILE HG21 H 1 0.945 0.01 . 1 . . . A 34 ILE HG21 . 18012 1 328 . 1 1 34 34 ILE HG22 H 1 0.945 0.01 . 1 . . . A 34 ILE HG22 . 18012 1 329 . 1 1 34 34 ILE HG23 H 1 0.945 0.01 . 1 . . . A 34 ILE HG23 . 18012 1 330 . 1 1 34 34 ILE HD11 H 1 0.774 0.01 . 1 . . . A 34 ILE HD11 . 18012 1 331 . 1 1 34 34 ILE HD12 H 1 0.774 0.01 . 1 . . . A 34 ILE HD12 . 18012 1 332 . 1 1 34 34 ILE HD13 H 1 0.774 0.01 . 1 . . . A 34 ILE HD13 . 18012 1 333 . 1 1 34 34 ILE C C 13 174.666 0.1 . 1 . . . A 34 ILE C . 18012 1 334 . 1 1 34 34 ILE CA C 13 60.173 0.1 . 1 . . . A 34 ILE CA . 18012 1 335 . 1 1 34 34 ILE CB C 13 41.065 0.1 . 1 . . . A 34 ILE CB . 18012 1 336 . 1 1 34 34 ILE CG1 C 13 29.207 0.1 . 1 . . . A 34 ILE CG1 . 18012 1 337 . 1 1 34 34 ILE CG2 C 13 17.300 0.1 . 1 . . . A 34 ILE CG2 . 18012 1 338 . 1 1 34 34 ILE CD1 C 13 13.606 0.1 . 1 . . . A 34 ILE CD1 . 18012 1 339 . 1 1 34 34 ILE N N 15 119.366 0.1 . 1 . . . A 34 ILE N . 18012 1 340 . 1 1 35 35 HIS H H 1 9.120 0.01 . 1 . . . A 35 HIS H . 18012 1 341 . 1 1 35 35 HIS HA H 1 5.150 0.01 . 1 . . . A 35 HIS HA . 18012 1 342 . 1 1 35 35 HIS HB2 H 1 3.528 0.01 . 2 . . . A 35 HIS HB2 . 18012 1 343 . 1 1 35 35 HIS HB3 H 1 3.458 0.01 . 2 . . . A 35 HIS HB3 . 18012 1 344 . 1 1 35 35 HIS HD2 H 1 7.100 0.01 . 1 . . . A 35 HIS HD2 . 18012 1 345 . 1 1 35 35 HIS C C 13 170.661 0.1 . 1 . . . A 35 HIS C . 18012 1 346 . 1 1 35 35 HIS CA C 13 54.110 0.1 . 1 . . . A 35 HIS CA . 18012 1 347 . 1 1 35 35 HIS CB C 13 34.940 0.1 . 1 . . . A 35 HIS CB . 18012 1 348 . 1 1 35 35 HIS N N 15 123.066 0.1 . 1 . . . A 35 HIS N . 18012 1 349 . 1 1 36 36 LEU H H 1 8.970 0.01 . 1 . . . A 36 LEU H . 18012 1 350 . 1 1 36 36 LEU HA H 1 4.130 0.01 . 1 . . . A 36 LEU HA . 18012 1 351 . 1 1 36 36 LEU HB2 H 1 0.810 0.01 . 2 . . . A 36 LEU HB2 . 18012 1 352 . 1 1 36 36 LEU HB3 H 1 1.870 0.01 . 2 . . . A 36 LEU HB3 . 18012 1 353 . 1 1 36 36 LEU HG H 1 1.168 0.01 . 1 . . . A 36 LEU HG . 18012 1 354 . 1 1 36 36 LEU HD11 H 1 0.432 0.01 . 2 . . . A 36 LEU HD11 . 18012 1 355 . 1 1 36 36 LEU HD12 H 1 0.432 0.01 . 2 . . . A 36 LEU HD12 . 18012 1 356 . 1 1 36 36 LEU HD13 H 1 0.432 0.01 . 2 . . . A 36 LEU HD13 . 18012 1 357 . 1 1 36 36 LEU HD21 H 1 0.641 0.01 . 2 . . . A 36 LEU HD21 . 18012 1 358 . 1 1 36 36 LEU HD22 H 1 0.641 0.01 . 2 . . . A 36 LEU HD22 . 18012 1 359 . 1 1 36 36 LEU HD23 H 1 0.641 0.01 . 2 . . . A 36 LEU HD23 . 18012 1 360 . 1 1 36 36 LEU C C 13 172.919 0.1 . 1 . . . A 36 LEU C . 18012 1 361 . 1 1 36 36 LEU CA C 13 53.844 0.1 . 1 . . . A 36 LEU CA . 18012 1 362 . 1 1 36 36 LEU CB C 13 41.876 0.1 . 1 . . . A 36 LEU CB . 18012 1 363 . 1 1 36 36 LEU CG C 13 25.583 0.1 . 1 . . . A 36 LEU CG . 18012 1 364 . 1 1 36 36 LEU CD1 C 13 24.200 0.1 . 1 . . . A 36 LEU CD1 . 18012 1 365 . 1 1 36 36 LEU CD2 C 13 25.329 0.1 . 1 . . . A 36 LEU CD2 . 18012 1 366 . 1 1 36 36 LEU N N 15 123.412 0.1 . 1 . . . A 36 LEU N . 18012 1 367 . 1 1 37 37 ALA H H 1 8.106 0.01 . 1 . . . A 37 ALA H . 18012 1 368 . 1 1 37 37 ALA HA H 1 4.380 0.01 . 1 . . . A 37 ALA HA . 18012 1 369 . 1 1 37 37 ALA HB1 H 1 1.070 0.01 . 1 . . . A 37 ALA HB1 . 18012 1 370 . 1 1 37 37 ALA HB2 H 1 1.070 0.01 . 1 . . . A 37 ALA HB2 . 18012 1 371 . 1 1 37 37 ALA HB3 H 1 1.070 0.01 . 1 . . . A 37 ALA HB3 . 18012 1 372 . 1 1 37 37 ALA C C 13 174.536 0.1 . 1 . . . A 37 ALA C . 18012 1 373 . 1 1 37 37 ALA CA C 13 49.536 0.1 . 1 . . . A 37 ALA CA . 18012 1 374 . 1 1 37 37 ALA CB C 13 19.500 0.1 . 1 . . . A 37 ALA CB . 18012 1 375 . 1 1 37 37 ALA N N 15 129.220 0.1 . 1 . . . A 37 ALA N . 18012 1 376 . 1 1 38 38 PRO HD2 H 1 3.502 0.01 . 2 . . . A 38 PRO HD2 . 18012 1 377 . 1 1 38 38 PRO HD3 H 1 3.756 0.01 . 2 . . . A 38 PRO HD3 . 18012 1 378 . 1 1 38 38 PRO CD C 13 50.400 0.1 . 1 . . . A 38 PRO CD . 18012 1 379 . 1 1 39 39 PRO HA H 1 4.390 0.01 . 1 . . . A 39 PRO HA . 18012 1 380 . 1 1 39 39 PRO HB2 H 1 1.915 0.01 . 2 . . . A 39 PRO HB2 . 18012 1 381 . 1 1 39 39 PRO HB3 H 1 2.240 0.01 . 2 . . . A 39 PRO HB3 . 18012 1 382 . 1 1 39 39 PRO HG3 H 1 1.950 0.01 . 2 . . . A 39 PRO HG3 . 18012 1 383 . 1 1 39 39 PRO HD2 H 1 3.758 0.01 . 2 . . . A 39 PRO HD2 . 18012 1 384 . 1 1 39 39 PRO HD3 H 1 3.470 0.01 . 2 . . . A 39 PRO HD3 . 18012 1 385 . 1 1 39 39 PRO CA C 13 63.000 0.1 . 1 . . . A 39 PRO CA . 18012 1 386 . 1 1 39 39 PRO CB C 13 32.000 0.1 . 1 . . . A 39 PRO CB . 18012 1 387 . 1 1 39 39 PRO CG C 13 27.400 0.1 . 1 . . . A 39 PRO CG . 18012 1 388 . 1 1 39 39 PRO CD C 13 50.470 0.1 . 1 . . . A 39 PRO CD . 18012 1 389 . 1 1 41 41 GLU HA H 1 4.270 0.01 . 1 . . . A 41 GLU HA . 18012 1 390 . 1 1 41 41 GLU HB2 H 1 1.933 0.01 . 2 . . . A 41 GLU HB2 . 18012 1 391 . 1 1 41 41 GLU HB3 H 1 1.827 0.01 . 2 . . . A 41 GLU HB3 . 18012 1 392 . 1 1 41 41 GLU HG2 H 1 2.166 0.01 . 2 . . . A 41 GLU HG2 . 18012 1 393 . 1 1 41 41 GLU CA C 13 56.245 0.1 . 1 . . . A 41 GLU CA . 18012 1 394 . 1 1 41 41 GLU CB C 13 30.514 0.1 . 1 . . . A 41 GLU CB . 18012 1 395 . 1 1 41 41 GLU CG C 13 36.270 0.1 . 1 . . . A 41 GLU CG . 18012 1 396 . 1 1 42 42 TYR HA H 1 4.799 0.01 . 1 . . . A 42 TYR HA . 18012 1 397 . 1 1 42 42 TYR HD2 H 1 7.420 0.01 . 3 . . . A 42 TYR HD2 . 18012 1 398 . 1 1 42 42 TYR HE2 H 1 7.560 0.01 . 3 . . . A 42 TYR HE2 . 18012 1 399 . 1 1 42 42 TYR HH H 1 7.850 0.01 . 1 . . . A 42 TYR HH . 18012 1 400 . 1 1 43 43 PRO HA H 1 4.420 0.01 . 1 . . . A 43 PRO HA . 18012 1 401 . 1 1 43 43 PRO HB2 H 1 1.810 0.01 . 2 . . . A 43 PRO HB2 . 18012 1 402 . 1 1 43 43 PRO HB3 H 1 2.232 0.01 . 2 . . . A 43 PRO HB3 . 18012 1 403 . 1 1 43 43 PRO HG3 H 1 1.950 0.01 . 2 . . . A 43 PRO HG3 . 18012 1 404 . 1 1 43 43 PRO HD2 H 1 3.758 0.01 . 2 . . . A 43 PRO HD2 . 18012 1 405 . 1 1 43 43 PRO HD3 H 1 3.470 0.01 . 2 . . . A 43 PRO HD3 . 18012 1 406 . 1 1 43 43 PRO CA C 13 63.480 0.1 . 1 . . . A 43 PRO CA . 18012 1 407 . 1 1 43 43 PRO CB C 13 31.800 0.1 . 1 . . . A 43 PRO CB . 18012 1 408 . 1 1 43 43 PRO CG C 13 27.400 0.1 . 1 . . . A 43 PRO CG . 18012 1 409 . 1 1 43 43 PRO CD C 13 50.470 0.1 . 1 . . . A 43 PRO CD . 18012 1 410 . 1 1 44 44 GLY H H 1 8.020 0.01 . 1 . . . A 44 GLY H . 18012 1 411 . 1 1 44 44 GLY HA2 H 1 3.927 0.01 . 2 . . . A 44 GLY HA2 . 18012 1 412 . 1 1 44 44 GLY C C 13 173.926 0.1 . 1 . . . A 44 GLY C . 18012 1 413 . 1 1 44 44 GLY CA C 13 45.069 0.1 . 1 . . . A 44 GLY CA . 18012 1 414 . 1 1 44 44 GLY N N 15 109.025 0.1 . 1 . . . A 44 GLY N . 18012 1 415 . 1 1 45 45 ALA H H 1 8.100 0.01 . 1 . . . A 45 ALA H . 18012 1 416 . 1 1 45 45 ALA HA H 1 4.327 0.01 . 1 . . . A 45 ALA HA . 18012 1 417 . 1 1 45 45 ALA HB1 H 1 1.387 0.01 . 1 . . . A 45 ALA HB1 . 18012 1 418 . 1 1 45 45 ALA HB2 H 1 1.387 0.01 . 1 . . . A 45 ALA HB2 . 18012 1 419 . 1 1 45 45 ALA HB3 H 1 1.387 0.01 . 1 . . . A 45 ALA HB3 . 18012 1 420 . 1 1 45 45 ALA C C 13 173.962 0.1 . 1 . . . A 45 ALA C . 18012 1 421 . 1 1 45 45 ALA CA C 13 52.800 0.1 . 1 . . . A 45 ALA CA . 18012 1 422 . 1 1 45 45 ALA CB C 13 19.470 0.1 . 1 . . . A 45 ALA CB . 18012 1 423 . 1 1 45 45 ALA N N 15 123.500 0.1 . 1 . . . A 45 ALA N . 18012 1 424 . 1 1 46 46 GLY H H 1 8.420 0.01 . 1 . . . A 46 GLY H . 18012 1 425 . 1 1 46 46 GLY HA2 H 1 3.956 0.01 . 2 . . . A 46 GLY HA2 . 18012 1 426 . 1 1 46 46 GLY C C 13 174.292 0.1 . 1 . . . A 46 GLY C . 18012 1 427 . 1 1 46 46 GLY CA C 13 45.293 0.1 . 1 . . . A 46 GLY CA . 18012 1 428 . 1 1 46 46 GLY N N 15 108.126 0.1 . 1 . . . A 46 GLY N . 18012 1 429 . 1 1 47 47 SER C C 13 178.417 0.1 . 1 . . . A 47 SER C . 18012 1 430 . 1 1 47 47 SER CA C 13 59.694 0.1 . 1 . . . A 47 SER CA . 18012 1 431 . 1 1 47 47 SER CB C 13 75.808 0.1 . 1 . . . A 47 SER CB . 18012 1 432 . 1 1 48 48 SER H H 1 8.074 0.01 . 1 . . . A 48 SER H . 18012 1 433 . 1 1 48 48 SER HA H 1 4.267 0.01 . 1 . . . A 48 SER HA . 18012 1 434 . 1 1 48 48 SER C C 13 178.417 0.1 . 1 . . . A 48 SER C . 18012 1 435 . 1 1 48 48 SER CA C 13 53.259 0.1 . 1 . . . A 48 SER CA . 18012 1 436 . 1 1 48 48 SER CB C 13 68.612 0.1 . 1 . . . A 48 SER CB . 18012 1 437 . 1 1 48 48 SER N N 15 117.944 0.1 . 1 . . . A 48 SER N . 18012 1 438 . 1 1 49 49 SER HA H 1 4.456 0.01 . 1 . . . A 49 SER HA . 18012 1 439 . 1 1 49 49 SER HB2 H 1 3.826 0.01 . 2 . . . A 49 SER HB2 . 18012 1 440 . 1 1 49 49 SER C C 13 174.628 0.1 . 1 . . . A 49 SER C . 18012 1 441 . 1 1 49 49 SER CA C 13 58.530 0.1 . 1 . . . A 49 SER CA . 18012 1 442 . 1 1 49 49 SER CB C 13 63.582 0.1 . 1 . . . A 49 SER CB . 18012 1 443 . 1 1 50 50 VAL H H 1 7.924 0.01 . 1 . . . A 50 VAL H . 18012 1 444 . 1 1 50 50 VAL HA H 1 4.059 0.01 . 1 . . . A 50 VAL HA . 18012 1 445 . 1 1 50 50 VAL HB H 1 1.970 0.01 . 1 . . . A 50 VAL HB . 18012 1 446 . 1 1 50 50 VAL HG11 H 1 0.782 0.01 . 2 . . . A 50 VAL HG11 . 18012 1 447 . 1 1 50 50 VAL HG12 H 1 0.782 0.01 . 2 . . . A 50 VAL HG12 . 18012 1 448 . 1 1 50 50 VAL HG13 H 1 0.782 0.01 . 2 . . . A 50 VAL HG13 . 18012 1 449 . 1 1 50 50 VAL HG21 H 1 0.780 0.01 . 2 . . . A 50 VAL HG21 . 18012 1 450 . 1 1 50 50 VAL HG22 H 1 0.780 0.01 . 2 . . . A 50 VAL HG22 . 18012 1 451 . 1 1 50 50 VAL HG23 H 1 0.780 0.01 . 2 . . . A 50 VAL HG23 . 18012 1 452 . 1 1 50 50 VAL C C 13 175.818 0.1 . 1 . . . A 50 VAL C . 18012 1 453 . 1 1 50 50 VAL CA C 13 62.700 0.1 . 1 . . . A 50 VAL CA . 18012 1 454 . 1 1 50 50 VAL CB C 13 32.416 0.1 . 1 . . . A 50 VAL CB . 18012 1 455 . 1 1 50 50 VAL CG1 C 13 20.974 0.1 . 1 . . . A 50 VAL CG1 . 18012 1 456 . 1 1 50 50 VAL CG2 C 13 20.270 0.1 . 1 . . . A 50 VAL CG2 . 18012 1 457 . 1 1 50 50 VAL N N 15 120.507 0.1 . 1 . . . A 50 VAL N . 18012 1 458 . 1 1 51 51 PHE HA H 1 4.630 0.01 . 1 . . . A 51 PHE HA . 18012 1 459 . 1 1 51 51 PHE HB2 H 1 3.170 0.01 . 2 . . . A 51 PHE HB2 . 18012 1 460 . 1 1 51 51 PHE HB3 H 1 2.980 0.01 . 2 . . . A 51 PHE HB3 . 18012 1 461 . 1 1 51 51 PHE HD1 H 1 7.227 0.01 . 3 . . . A 51 PHE HD1 . 18012 1 462 . 1 1 51 51 PHE HE1 H 1 6.892 0.01 . 3 . . . A 51 PHE HE1 . 18012 1 463 . 1 1 51 51 PHE CA C 13 57.939 0.1 . 1 . . . A 51 PHE CA . 18012 1 464 . 1 1 51 51 PHE CB C 13 39.470 0.1 . 1 . . . A 51 PHE CB . 18012 1 465 . 1 1 52 52 SER H H 1 8.029 0.01 . 1 . . . A 52 SER H . 18012 1 466 . 1 1 52 52 SER HA H 1 4.436 0.01 . 1 . . . A 52 SER HA . 18012 1 467 . 1 1 52 52 SER HB2 H 1 3.819 0.01 . 2 . . . A 52 SER HB2 . 18012 1 468 . 1 1 52 52 SER C C 13 174.445 0.1 . 1 . . . A 52 SER C . 18012 1 469 . 1 1 52 52 SER CA C 13 58.311 0.1 . 1 . . . A 52 SER CA . 18012 1 470 . 1 1 52 52 SER CB C 13 63.889 0.1 . 1 . . . A 52 SER CB . 18012 1 471 . 1 1 52 52 SER N N 15 116.798 0.1 . 1 . . . A 52 SER N . 18012 1 472 . 1 1 53 53 VAL H H 1 8.013 0.01 . 1 . . . A 53 VAL H . 18012 1 473 . 1 1 53 53 VAL HA H 1 4.093 0.01 . 1 . . . A 53 VAL HA . 18012 1 474 . 1 1 53 53 VAL HB H 1 2.085 0.01 . 1 . . . A 53 VAL HB . 18012 1 475 . 1 1 53 53 VAL HG21 H 1 0.928 0.01 . 2 . . . A 53 VAL HG21 . 18012 1 476 . 1 1 53 53 VAL HG22 H 1 0.928 0.01 . 2 . . . A 53 VAL HG22 . 18012 1 477 . 1 1 53 53 VAL HG23 H 1 0.928 0.01 . 2 . . . A 53 VAL HG23 . 18012 1 478 . 1 1 53 53 VAL C C 13 176.184 0.1 . 1 . . . A 53 VAL C . 18012 1 479 . 1 1 53 53 VAL CA C 13 62.725 0.1 . 1 . . . A 53 VAL CA . 18012 1 480 . 1 1 53 53 VAL CB C 13 32.416 0.1 . 1 . . . A 53 VAL CB . 18012 1 481 . 1 1 53 53 VAL CG2 C 13 20.343 0.1 . 1 . . . A 53 VAL CG2 . 18012 1 482 . 1 1 53 53 VAL N N 15 120.917 0.1 . 1 . . . A 53 VAL N . 18012 1 483 . 1 1 54 54 LEU H H 1 8.118 0.01 . 1 . . . A 54 LEU H . 18012 1 484 . 1 1 54 54 LEU HA H 1 4.380 0.01 . 1 . . . A 54 LEU HA . 18012 1 485 . 1 1 54 54 LEU HB2 H 1 1.589 0.01 . 2 . . . A 54 LEU HB2 . 18012 1 486 . 1 1 54 54 LEU HB3 H 1 1.645 0.01 . 2 . . . A 54 LEU HB3 . 18012 1 487 . 1 1 54 54 LEU HG H 1 1.286 0.01 . 1 . . . A 54 LEU HG . 18012 1 488 . 1 1 54 54 LEU HD11 H 1 0.880 0.01 . 2 . . . A 54 LEU HD11 . 18012 1 489 . 1 1 54 54 LEU HD12 H 1 0.880 0.01 . 2 . . . A 54 LEU HD12 . 18012 1 490 . 1 1 54 54 LEU HD13 H 1 0.880 0.01 . 2 . . . A 54 LEU HD13 . 18012 1 491 . 1 1 54 54 LEU HD21 H 1 0.840 0.01 . 2 . . . A 54 LEU HD21 . 18012 1 492 . 1 1 54 54 LEU HD22 H 1 0.840 0.01 . 2 . . . A 54 LEU HD22 . 18012 1 493 . 1 1 54 54 LEU HD23 H 1 0.840 0.01 . 2 . . . A 54 LEU HD23 . 18012 1 494 . 1 1 54 54 LEU C C 13 177.313 0.1 . 1 . . . A 54 LEU C . 18012 1 495 . 1 1 54 54 LEU CA C 13 55.287 0.1 . 1 . . . A 54 LEU CA . 18012 1 496 . 1 1 54 54 LEU CB C 13 42.172 0.1 . 1 . . . A 54 LEU CB . 18012 1 497 . 1 1 54 54 LEU CD1 C 13 24.945 0.1 . 1 . . . A 54 LEU CD1 . 18012 1 498 . 1 1 54 54 LEU CD2 C 13 23.184 0.1 . 1 . . . A 54 LEU CD2 . 18012 1 499 . 1 1 54 54 LEU N N 15 123.756 0.1 . 1 . . . A 54 LEU N . 18012 1 500 . 1 1 55 55 SER H H 1 8.113 0.01 . 1 . . . A 55 SER H . 18012 1 501 . 1 1 55 55 SER HA H 1 4.467 0.01 . 1 . . . A 55 SER HA . 18012 1 502 . 1 1 55 55 SER HB2 H 1 3.890 0.01 . 2 . . . A 55 SER HB2 . 18012 1 503 . 1 1 55 55 SER CA C 13 58.365 0.1 . 1 . . . A 55 SER CA . 18012 1 504 . 1 1 55 55 SER CB C 13 63.793 0.1 . 1 . . . A 55 SER CB . 18012 1 505 . 1 1 55 55 SER N N 15 115.595 0.1 . 1 . . . A 55 SER N . 18012 1 506 . 1 1 56 56 ASN HA H 1 4.900 0.01 . 1 . . . A 56 ASN HA . 18012 1 507 . 1 1 56 56 ASN HB3 H 1 2.880 0.01 . 2 . . . A 56 ASN HB3 . 18012 1 508 . 1 1 56 56 ASN HD22 H 1 6.876 0.01 . 2 . . . A 56 ASN HD22 . 18012 1 509 . 1 1 56 56 ASN C C 13 174.781 0.1 . 1 . . . A 56 ASN C . 18012 1 510 . 1 1 56 56 ASN CA C 13 52.900 0.1 . 1 . . . A 56 ASN CA . 18012 1 511 . 1 1 56 56 ASN CB C 13 39.200 0.1 . 1 . . . A 56 ASN CB . 18012 1 512 . 1 1 57 57 SER H H 1 8.090 0.01 . 1 . . . A 57 SER H . 18012 1 513 . 1 1 57 57 SER HA H 1 4.710 0.01 . 1 . . . A 57 SER HA . 18012 1 514 . 1 1 57 57 SER HB2 H 1 3.786 0.01 . 2 . . . A 57 SER HB2 . 18012 1 515 . 1 1 57 57 SER HB3 H 1 3.720 0.01 . 2 . . . A 57 SER HB3 . 18012 1 516 . 1 1 57 57 SER C C 13 172.919 0.1 . 1 . . . A 57 SER C . 18012 1 517 . 1 1 57 57 SER CA C 13 58.311 0.1 . 1 . . . A 57 SER CA . 18012 1 518 . 1 1 57 57 SER CB C 13 64.754 0.1 . 1 . . . A 57 SER CB . 18012 1 519 . 1 1 57 57 SER N N 15 115.099 0.1 . 1 . . . A 57 SER N . 18012 1 520 . 1 1 58 58 ALA H H 1 8.550 0.01 . 1 . . . A 58 ALA H . 18012 1 521 . 1 1 58 58 ALA HA H 1 4.513 0.01 . 1 . . . A 58 ALA HA . 18012 1 522 . 1 1 58 58 ALA HB1 H 1 1.113 0.01 . 1 . . . A 58 ALA HB1 . 18012 1 523 . 1 1 58 58 ALA HB2 H 1 1.113 0.01 . 1 . . . A 58 ALA HB2 . 18012 1 524 . 1 1 58 58 ALA HB3 H 1 1.113 0.01 . 1 . . . A 58 ALA HB3 . 18012 1 525 . 1 1 58 58 ALA C C 13 174.658 0.1 . 1 . . . A 58 ALA C . 18012 1 526 . 1 1 58 58 ALA CA C 13 51.079 0.1 . 1 . . . A 58 ALA CA . 18012 1 527 . 1 1 58 58 ALA CB C 13 22.377 0.1 . 1 . . . A 58 ALA CB . 18012 1 528 . 1 1 58 58 ALA N N 15 125.210 0.1 . 1 . . . A 58 ALA N . 18012 1 529 . 1 1 59 59 GLU H H 1 8.145 0.01 . 1 . . . A 59 GLU H . 18012 1 530 . 1 1 59 59 GLU HA H 1 5.033 0.01 . 1 . . . A 59 GLU HA . 18012 1 531 . 1 1 59 59 GLU HB2 H 1 1.714 0.01 . 2 . . . A 59 GLU HB2 . 18012 1 532 . 1 1 59 59 GLU HG2 H 1 1.928 0.01 . 2 . . . A 59 GLU HG2 . 18012 1 533 . 1 1 59 59 GLU C C 13 176.123 0.1 . 1 . . . A 59 GLU C . 18012 1 534 . 1 1 59 59 GLU CA C 13 53.884 0.1 . 1 . . . A 59 GLU CA . 18012 1 535 . 1 1 59 59 GLU CB C 13 34.292 0.1 . 1 . . . A 59 GLU CB . 18012 1 536 . 1 1 59 59 GLU CG C 13 36.272 0.1 . 1 . . . A 59 GLU CG . 18012 1 537 . 1 1 59 59 GLU N N 15 120.283 0.1 . 1 . . . A 59 GLU N . 18012 1 538 . 1 1 60 60 VAL H H 1 8.509 0.01 . 1 . . . A 60 VAL H . 18012 1 539 . 1 1 60 60 VAL HA H 1 4.330 0.01 . 1 . . . A 60 VAL HA . 18012 1 540 . 1 1 60 60 VAL HB H 1 2.340 0.01 . 1 . . . A 60 VAL HB . 18012 1 541 . 1 1 60 60 VAL HG11 H 1 0.776 0.01 . 2 . . . A 60 VAL HG11 . 18012 1 542 . 1 1 60 60 VAL HG12 H 1 0.776 0.01 . 2 . . . A 60 VAL HG12 . 18012 1 543 . 1 1 60 60 VAL HG13 H 1 0.776 0.01 . 2 . . . A 60 VAL HG13 . 18012 1 544 . 1 1 60 60 VAL HG21 H 1 0.518 0.01 . 2 . . . A 60 VAL HG21 . 18012 1 545 . 1 1 60 60 VAL HG22 H 1 0.518 0.01 . 2 . . . A 60 VAL HG22 . 18012 1 546 . 1 1 60 60 VAL HG23 H 1 0.518 0.01 . 2 . . . A 60 VAL HG23 . 18012 1 547 . 1 1 60 60 VAL C C 13 176.733 0.1 . 1 . . . A 60 VAL C . 18012 1 548 . 1 1 60 60 VAL CA C 13 62.678 0.1 . 1 . . . A 60 VAL CA . 18012 1 549 . 1 1 60 60 VAL CB C 13 30.670 0.1 . 1 . . . A 60 VAL CB . 18012 1 550 . 1 1 60 60 VAL CG2 C 13 22.334 0.1 . 1 . . . A 60 VAL CG2 . 18012 1 551 . 1 1 60 60 VAL N N 15 125.217 0.1 . 1 . . . A 60 VAL N . 18012 1 552 . 1 1 61 61 LYS H H 1 9.070 0.01 . 1 . . . A 61 LYS H . 18012 1 553 . 1 1 61 61 LYS HA H 1 4.900 0.01 . 1 . . . A 61 LYS HA . 18012 1 554 . 1 1 61 61 LYS HB2 H 1 1.472 0.01 . 2 . . . A 61 LYS HB2 . 18012 1 555 . 1 1 61 61 LYS HB3 H 1 1.780 0.01 . 2 . . . A 61 LYS HB3 . 18012 1 556 . 1 1 61 61 LYS HG2 H 1 1.403 0.01 . 2 . . . A 61 LYS HG2 . 18012 1 557 . 1 1 61 61 LYS HG3 H 1 1.267 0.01 . 2 . . . A 61 LYS HG3 . 18012 1 558 . 1 1 61 61 LYS HD2 H 1 1.529 0.01 . 2 . . . A 61 LYS HD2 . 18012 1 559 . 1 1 61 61 LYS HD3 H 1 1.493 0.01 . 2 . . . A 61 LYS HD3 . 18012 1 560 . 1 1 61 61 LYS HE2 H 1 2.805 0.01 . 2 . . . A 61 LYS HE2 . 18012 1 561 . 1 1 61 61 LYS C C 13 174.109 0.1 . 1 . . . A 61 LYS C . 18012 1 562 . 1 1 61 61 LYS CA C 13 55.392 0.1 . 1 . . . A 61 LYS CA . 18012 1 563 . 1 1 61 61 LYS CB C 13 37.944 0.1 . 1 . . . A 61 LYS CB . 18012 1 564 . 1 1 61 61 LYS CG C 13 25.370 0.1 . 1 . . . A 61 LYS CG . 18012 1 565 . 1 1 61 61 LYS CD C 13 29.419 0.1 . 1 . . . A 61 LYS CD . 18012 1 566 . 1 1 61 61 LYS CE C 13 42.244 0.1 . 1 . . . A 61 LYS CE . 18012 1 567 . 1 1 61 61 LYS N N 15 129.209 0.1 . 1 . . . A 61 LYS N . 18012 1 568 . 1 1 62 62 ARG H H 1 8.811 0.01 . 1 . . . A 62 ARG H . 18012 1 569 . 1 1 62 62 ARG HA H 1 5.690 0.01 . 1 . . . A 62 ARG HA . 18012 1 570 . 1 1 62 62 ARG HB2 H 1 1.426 0.01 . 2 . . . A 62 ARG HB2 . 18012 1 571 . 1 1 62 62 ARG HB3 H 1 2.006 0.01 . 2 . . . A 62 ARG HB3 . 18012 1 572 . 1 1 62 62 ARG HG2 H 1 1.308 0.01 . 2 . . . A 62 ARG HG2 . 18012 1 573 . 1 1 62 62 ARG HG3 H 1 1.445 0.01 . 2 . . . A 62 ARG HG3 . 18012 1 574 . 1 1 62 62 ARG HD2 H 1 2.827 0.01 . 2 . . . A 62 ARG HD2 . 18012 1 575 . 1 1 62 62 ARG HD3 H 1 2.880 0.01 . 2 . . . A 62 ARG HD3 . 18012 1 576 . 1 1 62 62 ARG C C 13 175.757 0.1 . 1 . . . A 62 ARG C . 18012 1 577 . 1 1 62 62 ARG CA C 13 54.323 0.1 . 1 . . . A 62 ARG CA . 18012 1 578 . 1 1 62 62 ARG CB C 13 32.082 0.1 . 1 . . . A 62 ARG CB . 18012 1 579 . 1 1 62 62 ARG CG C 13 27.727 0.1 . 1 . . . A 62 ARG CG . 18012 1 580 . 1 1 62 62 ARG CD C 13 43.306 0.1 . 1 . . . A 62 ARG CD . 18012 1 581 . 1 1 62 62 ARG N N 15 123.674 0.1 . 1 . . . A 62 ARG N . 18012 1 582 . 1 1 63 63 GLU H H 1 8.985 0.01 . 1 . . . A 63 GLU H . 18012 1 583 . 1 1 63 63 GLU HA H 1 4.990 0.01 . 1 . . . A 63 GLU HA . 18012 1 584 . 1 1 63 63 GLU HB2 H 1 1.621 0.01 . 2 . . . A 63 GLU HB2 . 18012 1 585 . 1 1 63 63 GLU HB3 H 1 2.220 0.01 . 2 . . . A 63 GLU HB3 . 18012 1 586 . 1 1 63 63 GLU HG2 H 1 2.391 0.01 . 2 . . . A 63 GLU HG2 . 18012 1 587 . 1 1 63 63 GLU HG3 H 1 2.211 0.01 . 2 . . . A 63 GLU HG3 . 18012 1 588 . 1 1 63 63 GLU C C 13 174.536 0.1 . 1 . . . A 63 GLU C . 18012 1 589 . 1 1 63 63 GLU CA C 13 54.754 0.1 . 1 . . . A 63 GLU CA . 18012 1 590 . 1 1 63 63 GLU CB C 13 36.983 0.1 . 1 . . . A 63 GLU CB . 18012 1 591 . 1 1 63 63 GLU CG C 13 39.356 0.1 . 1 . . . A 63 GLU CG . 18012 1 592 . 1 1 63 63 GLU N N 15 124.876 0.1 . 1 . . . A 63 GLU N . 18012 1 593 . 1 1 64 64 ARG H H 1 9.280 0.01 . 1 . . . A 64 ARG H . 18012 1 594 . 1 1 64 64 ARG HA H 1 3.937 0.01 . 1 . . . A 64 ARG HA . 18012 1 595 . 1 1 64 64 ARG HB2 H 1 1.817 0.01 . 2 . . . A 64 ARG HB2 . 18012 1 596 . 1 1 64 64 ARG HB3 H 1 1.750 0.01 . 2 . . . A 64 ARG HB3 . 18012 1 597 . 1 1 64 64 ARG HG2 H 1 1.683 0.01 . 2 . . . A 64 ARG HG2 . 18012 1 598 . 1 1 64 64 ARG HG3 H 1 1.103 0.01 . 2 . . . A 64 ARG HG3 . 18012 1 599 . 1 1 64 64 ARG HD2 H 1 3.080 0.01 . 2 . . . A 64 ARG HD2 . 18012 1 600 . 1 1 64 64 ARG HD3 H 1 2.980 0.01 . 2 . . . A 64 ARG HD3 . 18012 1 601 . 1 1 64 64 ARG C C 13 177.801 0.1 . 1 . . . A 64 ARG C . 18012 1 602 . 1 1 64 64 ARG CA C 13 56.822 0.1 . 1 . . . A 64 ARG CA . 18012 1 603 . 1 1 64 64 ARG CB C 13 29.488 0.1 . 1 . . . A 64 ARG CB . 18012 1 604 . 1 1 64 64 ARG CG C 13 28.000 0.1 . 1 . . . A 64 ARG CG . 18012 1 605 . 1 1 64 64 ARG CD C 13 42.800 0.1 . 1 . . . A 64 ARG CD . 18012 1 606 . 1 1 64 64 ARG N N 15 121.803 0.1 . 1 . . . A 64 ARG N . 18012 1 607 . 1 1 65 65 LEU H H 1 8.840 0.01 . 1 . . . A 65 LEU H . 18012 1 608 . 1 1 65 65 LEU HA H 1 3.560 0.01 . 1 . . . A 65 LEU HA . 18012 1 609 . 1 1 65 65 LEU HB2 H 1 1.157 0.01 . 2 . . . A 65 LEU HB2 . 18012 1 610 . 1 1 65 65 LEU HB3 H 1 1.770 0.01 . 2 . . . A 65 LEU HB3 . 18012 1 611 . 1 1 65 65 LEU HG H 1 1.139 0.01 . 1 . . . A 65 LEU HG . 18012 1 612 . 1 1 65 65 LEU HD11 H 1 0.390 0.01 . 2 . . . A 65 LEU HD11 . 18012 1 613 . 1 1 65 65 LEU HD12 H 1 0.390 0.01 . 2 . . . A 65 LEU HD12 . 18012 1 614 . 1 1 65 65 LEU HD13 H 1 0.390 0.01 . 2 . . . A 65 LEU HD13 . 18012 1 615 . 1 1 65 65 LEU HD21 H 1 0.585 0.01 . 2 . . . A 65 LEU HD21 . 18012 1 616 . 1 1 65 65 LEU HD22 H 1 0.585 0.01 . 2 . . . A 65 LEU HD22 . 18012 1 617 . 1 1 65 65 LEU HD23 H 1 0.585 0.01 . 2 . . . A 65 LEU HD23 . 18012 1 618 . 1 1 65 65 LEU C C 13 177.649 0.1 . 1 . . . A 65 LEU C . 18012 1 619 . 1 1 65 65 LEU CA C 13 58.950 0.1 . 1 . . . A 65 LEU CA . 18012 1 620 . 1 1 65 65 LEU CB C 13 41.595 0.1 . 1 . . . A 65 LEU CB . 18012 1 621 . 1 1 65 65 LEU CG C 13 26.429 0.1 . 1 . . . A 65 LEU CG . 18012 1 622 . 1 1 65 65 LEU CD1 C 13 24.800 0.1 . 1 . . . A 65 LEU CD1 . 18012 1 623 . 1 1 65 65 LEU CD2 C 13 25.436 0.1 . 1 . . . A 65 LEU CD2 . 18012 1 624 . 1 1 65 65 LEU N N 15 124.627 0.1 . 1 . . . A 65 LEU N . 18012 1 625 . 1 1 66 66 GLU H H 1 9.411 0.01 . 1 . . . A 66 GLU H . 18012 1 626 . 1 1 66 66 GLU HA H 1 3.840 0.01 . 1 . . . A 66 GLU HA . 18012 1 627 . 1 1 66 66 GLU HB3 H 1 1.920 0.01 . 2 . . . A 66 GLU HB3 . 18012 1 628 . 1 1 66 66 GLU HG2 H 1 2.219 0.01 . 2 . . . A 66 GLU HG2 . 18012 1 629 . 1 1 66 66 GLU C C 13 178.534 0.1 . 1 . . . A 66 GLU C . 18012 1 630 . 1 1 66 66 GLU CA C 13 59.481 0.1 . 1 . . . A 66 GLU CA . 18012 1 631 . 1 1 66 66 GLU CB C 13 29.103 0.1 . 1 . . . A 66 GLU CB . 18012 1 632 . 1 1 66 66 GLU CG C 13 35.853 0.1 . 1 . . . A 66 GLU CG . 18012 1 633 . 1 1 66 66 GLU N N 15 115.380 0.1 . 1 . . . A 66 GLU N . 18012 1 634 . 1 1 67 67 ASP H H 1 6.829 0.01 . 1 . . . A 67 ASP H . 18012 1 635 . 1 1 67 67 ASP HA H 1 4.460 0.01 . 1 . . . A 67 ASP HA . 18012 1 636 . 1 1 67 67 ASP HB2 H 1 2.778 0.01 . 2 . . . A 67 ASP HB2 . 18012 1 637 . 1 1 67 67 ASP HB3 H 1 2.721 0.01 . 2 . . . A 67 ASP HB3 . 18012 1 638 . 1 1 67 67 ASP CA C 13 56.503 0.1 . 1 . . . A 67 ASP CA . 18012 1 639 . 1 1 67 67 ASP CB C 13 40.592 0.1 . 1 . . . A 67 ASP CB . 18012 1 640 . 1 1 67 67 ASP N N 15 118.581 0.1 . 1 . . . A 67 ASP N . 18012 1 641 . 1 1 68 68 VAL H H 1 7.410 0.01 . 1 . . . A 68 VAL H . 18012 1 642 . 1 1 68 68 VAL HA H 1 3.640 0.01 . 1 . . . A 68 VAL HA . 18012 1 643 . 1 1 68 68 VAL HB H 1 1.570 0.01 . 1 . . . A 68 VAL HB . 18012 1 644 . 1 1 68 68 VAL HG11 H 1 0.430 0.01 . 2 . . . A 68 VAL HG11 . 18012 1 645 . 1 1 68 68 VAL HG12 H 1 0.430 0.01 . 2 . . . A 68 VAL HG12 . 18012 1 646 . 1 1 68 68 VAL HG13 H 1 0.430 0.01 . 2 . . . A 68 VAL HG13 . 18012 1 647 . 1 1 68 68 VAL HG21 H 1 0.432 0.01 . 2 . . . A 68 VAL HG21 . 18012 1 648 . 1 1 68 68 VAL HG22 H 1 0.432 0.01 . 2 . . . A 68 VAL HG22 . 18012 1 649 . 1 1 68 68 VAL HG23 H 1 0.432 0.01 . 2 . . . A 68 VAL HG23 . 18012 1 650 . 1 1 68 68 VAL C C 13 177.618 0.1 . 1 . . . A 68 VAL C . 18012 1 651 . 1 1 68 68 VAL CA C 13 65.070 0.1 . 1 . . . A 68 VAL CA . 18012 1 652 . 1 1 68 68 VAL CB C 13 32.082 0.1 . 1 . . . A 68 VAL CB . 18012 1 653 . 1 1 68 68 VAL CG1 C 13 20.792 0.1 . 1 . . . A 68 VAL CG1 . 18012 1 654 . 1 1 68 68 VAL CG2 C 13 22.496 0.1 . 1 . . . A 68 VAL CG2 . 18012 1 655 . 1 1 68 68 VAL N N 15 119.976 0.1 . 1 . . . A 68 VAL N . 18012 1 656 . 1 1 69 69 VAL H H 1 8.270 0.01 . 1 . . . A 69 VAL H . 18012 1 657 . 1 1 69 69 VAL HA H 1 3.520 0.01 . 1 . . . A 69 VAL HA . 18012 1 658 . 1 1 69 69 VAL HB H 1 1.850 0.01 . 1 . . . A 69 VAL HB . 18012 1 659 . 1 1 69 69 VAL HG11 H 1 0.458 0.01 . 2 . . . A 69 VAL HG11 . 18012 1 660 . 1 1 69 69 VAL HG12 H 1 0.458 0.01 . 2 . . . A 69 VAL HG12 . 18012 1 661 . 1 1 69 69 VAL HG13 H 1 0.458 0.01 . 2 . . . A 69 VAL HG13 . 18012 1 662 . 1 1 69 69 VAL HG21 H 1 0.586 0.01 . 2 . . . A 69 VAL HG21 . 18012 1 663 . 1 1 69 69 VAL HG22 H 1 0.586 0.01 . 2 . . . A 69 VAL HG22 . 18012 1 664 . 1 1 69 69 VAL HG23 H 1 0.586 0.01 . 2 . . . A 69 VAL HG23 . 18012 1 665 . 1 1 69 69 VAL C C 13 178.412 0.1 . 1 . . . A 69 VAL C . 18012 1 666 . 1 1 69 69 VAL CA C 13 65.337 0.1 . 1 . . . A 69 VAL CA . 18012 1 667 . 1 1 69 69 VAL CB C 13 32.036 0.1 . 1 . . . A 69 VAL CB . 18012 1 668 . 1 1 69 69 VAL CG1 C 13 21.230 0.1 . 1 . . . A 69 VAL CG1 . 18012 1 669 . 1 1 69 69 VAL CG2 C 13 22.255 0.1 . 1 . . . A 69 VAL CG2 . 18012 1 670 . 1 1 69 69 VAL N N 15 116.944 0.1 . 1 . . . A 69 VAL N . 18012 1 671 . 1 1 70 70 GLY H H 1 7.410 0.01 . 1 . . . A 70 GLY H . 18012 1 672 . 1 1 70 70 GLY HA2 H 1 3.750 0.01 . 2 . . . A 70 GLY HA2 . 18012 1 673 . 1 1 70 70 GLY HA3 H 1 3.917 0.01 . 2 . . . A 70 GLY HA3 . 18012 1 674 . 1 1 70 70 GLY C C 13 175.604 0.1 . 1 . . . A 70 GLY C . 18012 1 675 . 1 1 70 70 GLY CA C 13 47.409 0.1 . 1 . . . A 70 GLY CA . 18012 1 676 . 1 1 70 70 GLY N N 15 107.728 0.1 . 1 . . . A 70 GLY N . 18012 1 677 . 1 1 71 71 GLY H H 1 8.850 0.01 . 1 . . . A 71 GLY H . 18012 1 678 . 1 1 71 71 GLY HA2 H 1 3.987 0.01 . 2 . . . A 71 GLY HA2 . 18012 1 679 . 1 1 71 71 GLY C C 13 174.597 0.1 . 1 . . . A 71 GLY C . 18012 1 680 . 1 1 71 71 GLY CA C 13 45.176 0.1 . 1 . . . A 71 GLY CA . 18012 1 681 . 1 1 71 71 GLY N N 15 110.879 0.1 . 1 . . . A 71 GLY N . 18012 1 682 . 1 1 72 72 CYS H H 1 7.643 0.01 . 1 . . . A 72 CYS H . 18012 1 683 . 1 1 72 72 CYS HA H 1 4.510 0.01 . 1 . . . A 72 CYS HA . 18012 1 684 . 1 1 72 72 CYS HB2 H 1 2.918 0.01 . 2 . . . A 72 CYS HB2 . 18012 1 685 . 1 1 72 72 CYS HB3 H 1 3.220 0.01 . 2 . . . A 72 CYS HB3 . 18012 1 686 . 1 1 72 72 CYS C C 13 174.262 0.1 . 1 . . . A 72 CYS C . 18012 1 687 . 1 1 72 72 CYS CA C 13 60.013 0.1 . 1 . . . A 72 CYS CA . 18012 1 688 . 1 1 72 72 CYS CB C 13 29.295 0.1 . 1 . . . A 72 CYS CB . 18012 1 689 . 1 1 72 72 CYS N N 15 118.581 0.1 . 1 . . . A 72 CYS N . 18012 1 690 . 1 1 73 73 CYS H H 1 9.000 0.01 . 1 . . . A 73 CYS H . 18012 1 691 . 1 1 73 73 CYS HA H 1 4.534 0.01 . 1 . . . A 73 CYS HA . 18012 1 692 . 1 1 73 73 CYS HB2 H 1 2.926 0.01 . 2 . . . A 73 CYS HB2 . 18012 1 693 . 1 1 73 73 CYS C C 13 173.377 0.1 . 1 . . . A 73 CYS C . 18012 1 694 . 1 1 73 73 CYS CA C 13 59.588 0.1 . 1 . . . A 73 CYS CA . 18012 1 695 . 1 1 73 73 CYS CB C 13 28.046 0.1 . 1 . . . A 73 CYS CB . 18012 1 696 . 1 1 73 73 CYS N N 15 120.200 0.1 . 1 . . . A 73 CYS N . 18012 1 697 . 1 1 74 74 TYR H H 1 8.145 0.01 . 1 . . . A 74 TYR H . 18012 1 698 . 1 1 74 74 TYR HA H 1 5.590 0.01 . 1 . . . A 74 TYR HA . 18012 1 699 . 1 1 74 74 TYR HB2 H 1 2.625 0.01 . 2 . . . A 74 TYR HB2 . 18012 1 700 . 1 1 74 74 TYR HB3 H 1 2.680 0.01 . 2 . . . A 74 TYR HB3 . 18012 1 701 . 1 1 74 74 TYR HD2 H 1 6.826 0.01 . 3 . . . A 74 TYR HD2 . 18012 1 702 . 1 1 74 74 TYR HE2 H 1 6.463 0.01 . 3 . . . A 74 TYR HE2 . 18012 1 703 . 1 1 74 74 TYR HH H 1 6.592 0.01 . 1 . . . A 74 TYR HH . 18012 1 704 . 1 1 74 74 TYR C C 13 173.177 0.1 . 1 . . . A 74 TYR C . 18012 1 705 . 1 1 74 74 TYR CA C 13 55.286 0.1 . 1 . . . A 74 TYR CA . 18012 1 706 . 1 1 74 74 TYR CB C 13 41.876 0.1 . 1 . . . A 74 TYR CB . 18012 1 707 . 1 1 74 74 TYR N N 15 119.073 0.1 . 1 . . . A 74 TYR N . 18012 1 708 . 1 1 75 75 ARG H H 1 9.010 0.01 . 1 . . . A 75 ARG H . 18012 1 709 . 1 1 75 75 ARG HA H 1 4.630 0.01 . 1 . . . A 75 ARG HA . 18012 1 710 . 1 1 75 75 ARG HB3 H 1 1.880 0.01 . 2 . . . A 75 ARG HB3 . 18012 1 711 . 1 1 75 75 ARG HG2 H 1 1.645 0.01 . 2 . . . A 75 ARG HG2 . 18012 1 712 . 1 1 75 75 ARG HG3 H 1 1.349 0.01 . 2 . . . A 75 ARG HG3 . 18012 1 713 . 1 1 75 75 ARG HD2 H 1 3.102 0.01 . 2 . . . A 75 ARG HD2 . 18012 1 714 . 1 1 75 75 ARG HD3 H 1 3.177 0.01 . 2 . . . A 75 ARG HD3 . 18012 1 715 . 1 1 75 75 ARG HE H 1 7.400 0.01 . 1 . . . A 75 ARG HE . 18012 1 716 . 1 1 75 75 ARG C C 13 174.323 0.1 . 1 . . . A 75 ARG C . 18012 1 717 . 1 1 75 75 ARG CA C 13 53.850 0.1 . 1 . . . A 75 ARG CA . 18012 1 718 . 1 1 75 75 ARG CB C 13 33.100 0.1 . 1 . . . A 75 ARG CB . 18012 1 719 . 1 1 75 75 ARG CG C 13 25.577 0.1 . 1 . . . A 75 ARG CG . 18012 1 720 . 1 1 75 75 ARG CD C 13 43.978 0.1 . 1 . . . A 75 ARG CD . 18012 1 721 . 1 1 75 75 ARG N N 15 115.555 0.1 . 1 . . . A 75 ARG N . 18012 1 722 . 1 1 76 76 VAL H H 1 8.516 0.01 . 1 . . . A 76 VAL H . 18012 1 723 . 1 1 76 76 VAL HA H 1 4.559 0.01 . 1 . . . A 76 VAL HA . 18012 1 724 . 1 1 76 76 VAL HB H 1 1.851 0.01 . 1 . . . A 76 VAL HB . 18012 1 725 . 1 1 76 76 VAL HG11 H 1 0.890 0.01 . 2 . . . A 76 VAL HG11 . 18012 1 726 . 1 1 76 76 VAL HG12 H 1 0.890 0.01 . 2 . . . A 76 VAL HG12 . 18012 1 727 . 1 1 76 76 VAL HG13 H 1 0.890 0.01 . 2 . . . A 76 VAL HG13 . 18012 1 728 . 1 1 76 76 VAL HG21 H 1 0.980 0.01 . 2 . . . A 76 VAL HG21 . 18012 1 729 . 1 1 76 76 VAL HG22 H 1 0.980 0.01 . 2 . . . A 76 VAL HG22 . 18012 1 730 . 1 1 76 76 VAL HG23 H 1 0.980 0.01 . 2 . . . A 76 VAL HG23 . 18012 1 731 . 1 1 76 76 VAL C C 13 176.794 0.1 . 1 . . . A 76 VAL C . 18012 1 732 . 1 1 76 76 VAL CA C 13 62.885 0.1 . 1 . . . A 76 VAL CA . 18012 1 733 . 1 1 76 76 VAL CB C 13 32.178 0.1 . 1 . . . A 76 VAL CB . 18012 1 734 . 1 1 76 76 VAL CG1 C 13 21.870 0.1 . 1 . . . A 76 VAL CG1 . 18012 1 735 . 1 1 76 76 VAL CG2 C 13 20.600 0.1 . 1 . . . A 76 VAL CG2 . 18012 1 736 . 1 1 76 76 VAL N N 15 123.081 0.1 . 1 . . . A 76 VAL N . 18012 1 737 . 1 1 77 77 ASN H H 1 8.830 0.01 . 1 . . . A 77 ASN H . 18012 1 738 . 1 1 77 77 ASN HA H 1 4.870 0.01 . 1 . . . A 77 ASN HA . 18012 1 739 . 1 1 77 77 ASN HB2 H 1 2.366 0.01 . 2 . . . A 77 ASN HB2 . 18012 1 740 . 1 1 77 77 ASN HB3 H 1 3.240 0.01 . 2 . . . A 77 ASN HB3 . 18012 1 741 . 1 1 77 77 ASN HD21 H 1 7.171 0.01 . 2 . . . A 77 ASN HD21 . 18012 1 742 . 1 1 77 77 ASN HD22 H 1 8.059 0.01 . 2 . . . A 77 ASN HD22 . 18012 1 743 . 1 1 77 77 ASN C C 13 173.420 0.1 . 1 . . . A 77 ASN C . 18012 1 744 . 1 1 77 77 ASN CA C 13 52.036 0.1 . 1 . . . A 77 ASN CA . 18012 1 745 . 1 1 77 77 ASN CB C 13 38.520 0.1 . 1 . . . A 77 ASN CB . 18012 1 746 . 1 1 77 77 ASN N N 15 125.850 0.1 . 1 . . . A 77 ASN N . 18012 1 747 . 1 1 77 77 ASN ND2 N 15 112.227 0.1 . 1 . . . A 77 ASN ND2 . 18012 1 748 . 1 1 78 78 ASN H H 1 8.674 0.01 . 1 . . . A 78 ASN H . 18012 1 749 . 1 1 78 78 ASN HA H 1 5.340 0.01 . 1 . . . A 78 ASN HA . 18012 1 750 . 1 1 78 78 ASN HB2 H 1 2.645 0.01 . 2 . . . A 78 ASN HB2 . 18012 1 751 . 1 1 78 78 ASN HB3 H 1 3.200 0.01 . 2 . . . A 78 ASN HB3 . 18012 1 752 . 1 1 78 78 ASN HD21 H 1 6.997 0.01 . 2 . . . A 78 ASN HD21 . 18012 1 753 . 1 1 78 78 ASN HD22 H 1 7.041 0.01 . 2 . . . A 78 ASN HD22 . 18012 1 754 . 1 1 78 78 ASN C C 13 178.320 0.1 . 1 . . . A 78 ASN C . 18012 1 755 . 1 1 78 78 ASN CA C 13 51.974 0.1 . 1 . . . A 78 ASN CA . 18012 1 756 . 1 1 78 78 ASN CB C 13 37.070 0.1 . 1 . . . A 78 ASN CB . 18012 1 757 . 1 1 78 78 ASN N N 15 124.122 0.1 . 1 . . . A 78 ASN N . 18012 1 758 . 1 1 78 78 ASN ND2 N 15 110.567 0.1 . 1 . . . A 78 ASN ND2 . 18012 1 759 . 1 1 79 79 SER H H 1 8.120 0.01 . 1 . . . A 79 SER H . 18012 1 760 . 1 1 79 79 SER HA H 1 4.130 0.01 . 1 . . . A 79 SER HA . 18012 1 761 . 1 1 79 79 SER HB3 H 1 4.023 0.01 . 2 . . . A 79 SER HB3 . 18012 1 762 . 1 1 79 79 SER CA C 13 62.100 0.1 . 1 . . . A 79 SER CA . 18012 1 763 . 1 1 79 79 SER CB C 13 63.000 0.1 . 1 . . . A 79 SER CB . 18012 1 764 . 1 1 79 79 SER N N 15 117.790 0.1 . 1 . . . A 79 SER N . 18012 1 765 . 1 1 80 80 LEU H H 1 7.995 0.01 . 1 . . . A 80 LEU H . 18012 1 766 . 1 1 80 80 LEU HA H 1 4.470 0.01 . 1 . . . A 80 LEU HA . 18012 1 767 . 1 1 80 80 LEU HB2 H 1 1.180 0.01 . 2 . . . A 80 LEU HB2 . 18012 1 768 . 1 1 80 80 LEU HG H 1 1.520 0.01 . 1 . . . A 80 LEU HG . 18012 1 769 . 1 1 80 80 LEU HD11 H 1 0.674 0.01 . 2 . . . A 80 LEU HD11 . 18012 1 770 . 1 1 80 80 LEU HD12 H 1 0.674 0.01 . 2 . . . A 80 LEU HD12 . 18012 1 771 . 1 1 80 80 LEU HD13 H 1 0.674 0.01 . 2 . . . A 80 LEU HD13 . 18012 1 772 . 1 1 80 80 LEU HD21 H 1 0.674 0.01 . 2 . . . A 80 LEU HD21 . 18012 1 773 . 1 1 80 80 LEU HD22 H 1 0.674 0.01 . 2 . . . A 80 LEU HD22 . 18012 1 774 . 1 1 80 80 LEU HD23 H 1 0.674 0.01 . 2 . . . A 80 LEU HD23 . 18012 1 775 . 1 1 80 80 LEU C C 13 177.679 0.1 . 1 . . . A 80 LEU C . 18012 1 776 . 1 1 80 80 LEU CA C 13 55.759 0.1 . 1 . . . A 80 LEU CA . 18012 1 777 . 1 1 80 80 LEU CB C 13 41.500 0.1 . 1 . . . A 80 LEU CB . 18012 1 778 . 1 1 80 80 LEU CG C 13 26.800 0.1 . 1 . . . A 80 LEU CG . 18012 1 779 . 1 1 80 80 LEU CD1 C 13 25.159 0.1 . 1 . . . A 80 LEU CD1 . 18012 1 780 . 1 1 80 80 LEU CD2 C 13 22.944 0.1 . 1 . . . A 80 LEU CD2 . 18012 1 781 . 1 1 80 80 LEU N N 15 121.409 0.1 . 1 . . . A 80 LEU N . 18012 1 782 . 1 1 81 81 ASP H H 1 8.343 0.01 . 1 . . . A 81 ASP H . 18012 1 783 . 1 1 81 81 ASP HA H 1 5.126 0.01 . 1 . . . A 81 ASP HA . 18012 1 784 . 1 1 81 81 ASP HB2 H 1 2.808 0.01 . 2 . . . A 81 ASP HB2 . 18012 1 785 . 1 1 81 81 ASP HB3 H 1 2.947 0.01 . 2 . . . A 81 ASP HB3 . 18012 1 786 . 1 1 81 81 ASP C C 13 176.794 0.1 . 1 . . . A 81 ASP C . 18012 1 787 . 1 1 81 81 ASP CA C 13 56.400 0.1 . 1 . . . A 81 ASP CA . 18012 1 788 . 1 1 81 81 ASP CB C 13 40.250 0.1 . 1 . . . A 81 ASP CB . 18012 1 789 . 1 1 81 81 ASP N N 15 121.703 0.1 . 1 . . . A 81 ASP N . 18012 1 790 . 1 1 82 82 HIS HA H 1 4.460 0.01 . 1 . . . A 82 HIS HA . 18012 1 791 . 1 1 82 82 HIS HB2 H 1 3.181 0.01 . 2 . . . A 82 HIS HB2 . 18012 1 792 . 1 1 82 82 HIS HB3 H 1 3.120 0.01 . 2 . . . A 82 HIS HB3 . 18012 1 793 . 1 1 82 82 HIS C C 13 175.269 0.1 . 1 . . . A 82 HIS C . 18012 1 794 . 1 1 82 82 HIS CA C 13 57.900 0.1 . 1 . . . A 82 HIS CA . 18012 1 795 . 1 1 82 82 HIS CB C 13 29.766 0.1 . 1 . . . A 82 HIS CB . 18012 1 796 . 1 1 83 83 GLU H H 1 7.480 0.01 . 1 . . . A 83 GLU H . 18012 1 797 . 1 1 83 83 GLU HA H 1 4.160 0.01 . 1 . . . A 83 GLU HA . 18012 1 798 . 1 1 83 83 GLU HB2 H 1 1.300 0.01 . 2 . . . A 83 GLU HB2 . 18012 1 799 . 1 1 83 83 GLU HG2 H 1 1.660 0.01 . 2 . . . A 83 GLU HG2 . 18012 1 800 . 1 1 83 83 GLU C C 13 174.903 0.1 . 1 . . . A 83 GLU C . 18012 1 801 . 1 1 83 83 GLU CA C 13 56.800 0.1 . 1 . . . A 83 GLU CA . 18012 1 802 . 1 1 83 83 GLU CB C 13 32.563 0.1 . 1 . . . A 83 GLU CB . 18012 1 803 . 1 1 83 83 GLU CG C 13 35.533 0.1 . 1 . . . A 83 GLU CG . 18012 1 804 . 1 1 83 83 GLU N N 15 118.678 0.1 . 1 . . . A 83 GLU N . 18012 1 805 . 1 1 84 84 TYR H H 1 8.207 0.01 . 1 . . . A 84 TYR H . 18012 1 806 . 1 1 84 84 TYR HA H 1 4.730 0.01 . 1 . . . A 84 TYR HA . 18012 1 807 . 1 1 84 84 TYR HB2 H 1 2.110 0.01 . 2 . . . A 84 TYR HB2 . 18012 1 808 . 1 1 84 84 TYR HB3 H 1 2.940 0.01 . 2 . . . A 84 TYR HB3 . 18012 1 809 . 1 1 84 84 TYR HD2 H 1 6.840 0.01 . 3 . . . A 84 TYR HD2 . 18012 1 810 . 1 1 84 84 TYR HE2 H 1 6.760 0.01 . 3 . . . A 84 TYR HE2 . 18012 1 811 . 1 1 84 84 TYR HH H 1 6.651 0.01 . 1 . . . A 84 TYR HH . 18012 1 812 . 1 1 84 84 TYR C C 13 173.346 0.1 . 1 . . . A 84 TYR C . 18012 1 813 . 1 1 84 84 TYR CA C 13 55.095 0.1 . 1 . . . A 84 TYR CA . 18012 1 814 . 1 1 84 84 TYR CB C 13 41.449 0.1 . 1 . . . A 84 TYR CB . 18012 1 815 . 1 1 84 84 TYR N N 15 119.069 0.1 . 1 . . . A 84 TYR N . 18012 1 816 . 1 1 85 85 GLN H H 1 8.388 0.01 . 1 . . . A 85 GLN H . 18012 1 817 . 1 1 85 85 GLN HA H 1 4.792 0.01 . 1 . . . A 85 GLN HA . 18012 1 818 . 1 1 85 85 GLN HB2 H 1 2.056 0.01 . 2 . . . A 85 GLN HB2 . 18012 1 819 . 1 1 85 85 GLN HG2 H 1 2.494 0.01 . 2 . . . A 85 GLN HG2 . 18012 1 820 . 1 1 85 85 GLN HE21 H 1 7.571 0.01 . 2 . . . A 85 GLN HE21 . 18012 1 821 . 1 1 85 85 GLN HE22 H 1 6.869 0.01 . 2 . . . A 85 GLN HE22 . 18012 1 822 . 1 1 85 85 GLN C C 13 175.238 0.1 . 1 . . . A 85 GLN C . 18012 1 823 . 1 1 85 85 GLN CA C 13 53.100 0.1 . 1 . . . A 85 GLN CA . 18012 1 824 . 1 1 85 85 GLN CB C 13 29.488 0.1 . 1 . . . A 85 GLN CB . 18012 1 825 . 1 1 85 85 GLN CG C 13 33.600 0.1 . 1 . . . A 85 GLN CG . 18012 1 826 . 1 1 85 85 GLN N N 15 119.850 0.1 . 1 . . . A 85 GLN N . 18012 1 827 . 1 1 85 85 GLN NE2 N 15 112.520 0.1 . 1 . . . A 85 GLN NE2 . 18012 1 828 . 1 1 86 86 PRO HA H 1 4.440 0.01 . 1 . . . A 86 PRO HA . 18012 1 829 . 1 1 86 86 PRO HB2 H 1 1.893 0.01 . 2 . . . A 86 PRO HB2 . 18012 1 830 . 1 1 86 86 PRO HB3 H 1 1.965 0.01 . 2 . . . A 86 PRO HB3 . 18012 1 831 . 1 1 86 86 PRO HG2 H 1 2.100 0.01 . 2 . . . A 86 PRO HG2 . 18012 1 832 . 1 1 86 86 PRO HD2 H 1 4.152 0.01 . 2 . . . A 86 PRO HD2 . 18012 1 833 . 1 1 86 86 PRO HD3 H 1 3.929 0.01 . 2 . . . A 86 PRO HD3 . 18012 1 834 . 1 1 86 86 PRO C C 13 176.916 0.1 . 1 . . . A 86 PRO C . 18012 1 835 . 1 1 86 86 PRO CA C 13 62.600 0.1 . 1 . . . A 86 PRO CA . 18012 1 836 . 1 1 86 86 PRO CB C 13 31.648 0.1 . 1 . . . A 86 PRO CB . 18012 1 837 . 1 1 86 86 PRO CG C 13 27.400 0.1 . 1 . . . A 86 PRO CG . 18012 1 838 . 1 1 86 86 PRO CD C 13 50.900 0.1 . 1 . . . A 86 PRO CD . 18012 1 839 . 1 1 87 87 ARG H H 1 8.271 0.01 . 1 . . . A 87 ARG H . 18012 1 840 . 1 1 87 87 ARG HA H 1 4.410 0.01 . 1 . . . A 87 ARG HA . 18012 1 841 . 1 1 87 87 ARG HB2 H 1 1.667 0.01 . 2 . . . A 87 ARG HB2 . 18012 1 842 . 1 1 87 87 ARG HB3 H 1 1.778 0.01 . 2 . . . A 87 ARG HB3 . 18012 1 843 . 1 1 87 87 ARG HG2 H 1 1.636 0.01 . 2 . . . A 87 ARG HG2 . 18012 1 844 . 1 1 87 87 ARG HG3 H 1 1.760 0.01 . 2 . . . A 87 ARG HG3 . 18012 1 845 . 1 1 87 87 ARG HD2 H 1 3.078 0.01 . 2 . . . A 87 ARG HD2 . 18012 1 846 . 1 1 87 87 ARG HD3 H 1 2.997 0.01 . 2 . . . A 87 ARG HD3 . 18012 1 847 . 1 1 87 87 ARG CA C 13 55.600 0.1 . 1 . . . A 87 ARG CA . 18012 1 848 . 1 1 87 87 ARG CB C 13 30.670 0.1 . 1 . . . A 87 ARG CB . 18012 1 849 . 1 1 87 87 ARG CG C 13 26.800 0.1 . 1 . . . A 87 ARG CG . 18012 1 850 . 1 1 87 87 ARG CD C 13 44.805 0.1 . 1 . . . A 87 ARG CD . 18012 1 851 . 1 1 87 87 ARG N N 15 120.985 0.1 . 1 . . . A 87 ARG N . 18012 1 852 . 1 1 88 88 PRO HA H 1 4.470 0.01 . 1 . . . A 88 PRO HA . 18012 1 853 . 1 1 88 88 PRO HB2 H 1 1.750 0.01 . 2 . . . A 88 PRO HB2 . 18012 1 854 . 1 1 88 88 PRO HB3 H 1 2.570 0.01 . 2 . . . A 88 PRO HB3 . 18012 1 855 . 1 1 88 88 PRO HG2 H 1 2.201 0.01 . 2 . . . A 88 PRO HG2 . 18012 1 856 . 1 1 88 88 PRO HG3 H 1 2.105 0.01 . 2 . . . A 88 PRO HG3 . 18012 1 857 . 1 1 88 88 PRO HD2 H 1 3.937 0.01 . 2 . . . A 88 PRO HD2 . 18012 1 858 . 1 1 88 88 PRO HD3 H 1 3.360 0.01 . 2 . . . A 88 PRO HD3 . 18012 1 859 . 1 1 88 88 PRO CA C 13 63.200 0.1 . 1 . . . A 88 PRO CA . 18012 1 860 . 1 1 88 88 PRO CB C 13 32.270 0.1 . 1 . . . A 88 PRO CB . 18012 1 861 . 1 1 88 88 PRO CG C 13 28.500 0.1 . 1 . . . A 88 PRO CG . 18012 1 862 . 1 1 88 88 PRO CD C 13 50.100 0.1 . 1 . . . A 88 PRO CD . 18012 1 863 . 1 1 89 89 VAL H H 1 8.708 0.01 . 1 . . . A 89 VAL H . 18012 1 864 . 1 1 89 89 VAL HA H 1 3.490 0.01 . 1 . . . A 89 VAL HA . 18012 1 865 . 1 1 89 89 VAL HB H 1 2.061 0.01 . 1 . . . A 89 VAL HB . 18012 1 866 . 1 1 89 89 VAL HG11 H 1 1.108 0.01 . 2 . . . A 89 VAL HG11 . 18012 1 867 . 1 1 89 89 VAL HG12 H 1 1.108 0.01 . 2 . . . A 89 VAL HG12 . 18012 1 868 . 1 1 89 89 VAL HG13 H 1 1.108 0.01 . 2 . . . A 89 VAL HG13 . 18012 1 869 . 1 1 89 89 VAL HG21 H 1 0.891 0.01 . 2 . . . A 89 VAL HG21 . 18012 1 870 . 1 1 89 89 VAL HG22 H 1 0.891 0.01 . 2 . . . A 89 VAL HG22 . 18012 1 871 . 1 1 89 89 VAL HG23 H 1 0.891 0.01 . 2 . . . A 89 VAL HG23 . 18012 1 872 . 1 1 89 89 VAL C C 13 176.733 0.1 . 1 . . . A 89 VAL C . 18012 1 873 . 1 1 89 89 VAL CA C 13 67.473 0.1 . 1 . . . A 89 VAL CA . 18012 1 874 . 1 1 89 89 VAL CB C 13 31.700 0.1 . 1 . . . A 89 VAL CB . 18012 1 875 . 1 1 89 89 VAL CG1 C 13 22.718 0.1 . 1 . . . A 89 VAL CG1 . 18012 1 876 . 1 1 89 89 VAL CG2 C 13 21.254 0.1 . 1 . . . A 89 VAL CG2 . 18012 1 877 . 1 1 89 89 VAL N N 15 125.533 0.1 . 1 . . . A 89 VAL N . 18012 1 878 . 1 1 90 90 GLU H H 1 9.360 0.01 . 1 . . . A 90 GLU H . 18012 1 879 . 1 1 90 90 GLU HA H 1 4.010 0.01 . 1 . . . A 90 GLU HA . 18012 1 880 . 1 1 90 90 GLU HB3 H 1 2.030 0.01 . 2 . . . A 90 GLU HB3 . 18012 1 881 . 1 1 90 90 GLU HG2 H 1 2.350 0.01 . 2 . . . A 90 GLU HG2 . 18012 1 882 . 1 1 90 90 GLU C C 13 179.510 0.1 . 1 . . . A 90 GLU C . 18012 1 883 . 1 1 90 90 GLU CA C 13 59.800 0.1 . 1 . . . A 90 GLU CA . 18012 1 884 . 1 1 90 90 GLU CB C 13 28.719 0.1 . 1 . . . A 90 GLU CB . 18012 1 885 . 1 1 90 90 GLU CG C 13 36.370 0.1 . 1 . . . A 90 GLU CG . 18012 1 886 . 1 1 90 90 GLU N N 15 117.208 0.1 . 1 . . . A 90 GLU N . 18012 1 887 . 1 1 91 91 VAL H H 1 7.137 0.01 . 1 . . . A 91 VAL H . 18012 1 888 . 1 1 91 91 VAL HA H 1 3.840 0.01 . 1 . . . A 91 VAL HA . 18012 1 889 . 1 1 91 91 VAL HB H 1 2.188 0.01 . 1 . . . A 91 VAL HB . 18012 1 890 . 1 1 91 91 VAL HG11 H 1 1.050 0.01 . 2 . . . A 91 VAL HG11 . 18012 1 891 . 1 1 91 91 VAL HG12 H 1 1.050 0.01 . 2 . . . A 91 VAL HG12 . 18012 1 892 . 1 1 91 91 VAL HG13 H 1 1.050 0.01 . 2 . . . A 91 VAL HG13 . 18012 1 893 . 1 1 91 91 VAL HG21 H 1 0.901 0.01 . 2 . . . A 91 VAL HG21 . 18012 1 894 . 1 1 91 91 VAL HG22 H 1 0.901 0.01 . 2 . . . A 91 VAL HG22 . 18012 1 895 . 1 1 91 91 VAL HG23 H 1 0.901 0.01 . 2 . . . A 91 VAL HG23 . 18012 1 896 . 1 1 91 91 VAL C C 13 178.381 0.1 . 1 . . . A 91 VAL C . 18012 1 897 . 1 1 91 91 VAL CA C 13 64.906 0.1 . 1 . . . A 91 VAL CA . 18012 1 898 . 1 1 91 91 VAL CB C 13 31.890 0.1 . 1 . . . A 91 VAL CB . 18012 1 899 . 1 1 91 91 VAL CG1 C 13 22.000 0.1 . 1 . . . A 91 VAL CG1 . 18012 1 900 . 1 1 91 91 VAL CG2 C 13 19.848 0.1 . 1 . . . A 91 VAL CG2 . 18012 1 901 . 1 1 91 91 VAL N N 15 119.850 0.1 . 1 . . . A 91 VAL N . 18012 1 902 . 1 1 92 92 ILE H H 1 8.010 0.01 . 1 . . . A 92 ILE H . 18012 1 903 . 1 1 92 92 ILE HA H 1 3.300 0.01 . 1 . . . A 92 ILE HA . 18012 1 904 . 1 1 92 92 ILE HB H 1 1.953 0.01 . 1 . . . A 92 ILE HB . 18012 1 905 . 1 1 92 92 ILE HG12 H 1 1.179 0.01 . 1 . . . A 92 ILE HG12 . 18012 1 906 . 1 1 92 92 ILE HG13 H 1 1.681 0.01 . 1 . . . A 92 ILE HG13 . 18012 1 907 . 1 1 92 92 ILE HG21 H 1 0.730 0.01 . 1 . . . A 92 ILE HG21 . 18012 1 908 . 1 1 92 92 ILE HG22 H 1 0.730 0.01 . 1 . . . A 92 ILE HG22 . 18012 1 909 . 1 1 92 92 ILE HG23 H 1 0.730 0.01 . 1 . . . A 92 ILE HG23 . 18012 1 910 . 1 1 92 92 ILE HD11 H 1 0.922 0.01 . 1 . . . A 92 ILE HD11 . 18012 1 911 . 1 1 92 92 ILE HD12 H 1 0.922 0.01 . 1 . . . A 92 ILE HD12 . 18012 1 912 . 1 1 92 92 ILE HD13 H 1 0.922 0.01 . 1 . . . A 92 ILE HD13 . 18012 1 913 . 1 1 92 92 ILE C C 13 177.766 0.1 . 1 . . . A 92 ILE C . 18012 1 914 . 1 1 92 92 ILE CA C 13 66.448 0.1 . 1 . . . A 92 ILE CA . 18012 1 915 . 1 1 92 92 ILE CB C 13 38.663 0.1 . 1 . . . A 92 ILE CB . 18012 1 916 . 1 1 92 92 ILE CG1 C 13 27.017 0.1 . 1 . . . A 92 ILE CG1 . 18012 1 917 . 1 1 92 92 ILE CG2 C 13 18.000 0.1 . 1 . . . A 92 ILE CG2 . 18012 1 918 . 1 1 92 92 ILE CD1 C 13 14.355 0.1 . 1 . . . A 92 ILE CD1 . 18012 1 919 . 1 1 92 92 ILE N N 15 122.443 0.1 . 1 . . . A 92 ILE N . 18012 1 920 . 1 1 93 93 ILE H H 1 8.310 0.01 . 1 . . . A 93 ILE H . 18012 1 921 . 1 1 93 93 ILE HA H 1 3.514 0.01 . 1 . . . A 93 ILE HA . 18012 1 922 . 1 1 93 93 ILE HB H 1 1.921 0.01 . 1 . . . A 93 ILE HB . 18012 1 923 . 1 1 93 93 ILE HG12 H 1 1.320 0.01 . 1 . . . A 93 ILE HG12 . 18012 1 924 . 1 1 93 93 ILE HG13 H 1 1.633 0.01 . 1 . . . A 93 ILE HG13 . 18012 1 925 . 1 1 93 93 ILE HG21 H 1 0.905 0.01 . 1 . . . A 93 ILE HG21 . 18012 1 926 . 1 1 93 93 ILE HG22 H 1 0.905 0.01 . 1 . . . A 93 ILE HG22 . 18012 1 927 . 1 1 93 93 ILE HG23 H 1 0.905 0.01 . 1 . . . A 93 ILE HG23 . 18012 1 928 . 1 1 93 93 ILE HD11 H 1 0.808 0.01 . 1 . . . A 93 ILE HD11 . 18012 1 929 . 1 1 93 93 ILE HD12 H 1 0.808 0.01 . 1 . . . A 93 ILE HD12 . 18012 1 930 . 1 1 93 93 ILE HD13 H 1 0.808 0.01 . 1 . . . A 93 ILE HD13 . 18012 1 931 . 1 1 93 93 ILE C C 13 177.984 0.1 . 1 . . . A 93 ILE C . 18012 1 932 . 1 1 93 93 ILE CA C 13 64.959 0.1 . 1 . . . A 93 ILE CA . 18012 1 933 . 1 1 93 93 ILE CB C 13 36.933 0.1 . 1 . . . A 93 ILE CB . 18012 1 934 . 1 1 93 93 ILE CG1 C 13 28.270 0.1 . 1 . . . A 93 ILE CG1 . 18012 1 935 . 1 1 93 93 ILE CG2 C 13 17.520 0.1 . 1 . . . A 93 ILE CG2 . 18012 1 936 . 1 1 93 93 ILE CD1 C 13 12.546 0.1 . 1 . . . A 93 ILE CD1 . 18012 1 937 . 1 1 93 93 ILE N N 15 115.255 0.1 . 1 . . . A 93 ILE N . 18012 1 938 . 1 1 94 94 SER H H 1 7.929 0.01 . 1 . . . A 94 SER H . 18012 1 939 . 1 1 94 94 SER HA H 1 4.120 0.01 . 1 . . . A 94 SER HA . 18012 1 940 . 1 1 94 94 SER C C 13 176.886 0.1 . 1 . . . A 94 SER C . 18012 1 941 . 1 1 94 94 SER CA C 13 62.300 0.1 . 1 . . . A 94 SER CA . 18012 1 942 . 1 1 94 94 SER N N 15 115.268 0.1 . 1 . . . A 94 SER N . 18012 1 943 . 1 1 95 95 SER H H 1 8.160 0.01 . 1 . . . A 95 SER H . 18012 1 944 . 1 1 95 95 SER HA H 1 4.218 0.01 . 1 . . . A 95 SER HA . 18012 1 945 . 1 1 95 95 SER HB2 H 1 3.985 0.01 . 2 . . . A 95 SER HB2 . 18012 1 946 . 1 1 95 95 SER HB3 H 1 3.851 0.01 . 2 . . . A 95 SER HB3 . 18012 1 947 . 1 1 95 95 SER C C 13 176.886 0.1 . 1 . . . A 95 SER C . 18012 1 948 . 1 1 95 95 SER CA C 13 62.100 0.1 . 1 . . . A 95 SER CA . 18012 1 949 . 1 1 95 95 SER CB C 13 63.000 0.1 . 1 . . . A 95 SER CB . 18012 1 950 . 1 1 95 95 SER N N 15 117.795 0.1 . 1 . . . A 95 SER N . 18012 1 951 . 1 1 96 96 ALA H H 1 8.106 0.01 . 1 . . . A 96 ALA H . 18012 1 952 . 1 1 96 96 ALA HA H 1 3.900 0.01 . 1 . . . A 96 ALA HA . 18012 1 953 . 1 1 96 96 ALA HB1 H 1 1.380 0.01 . 1 . . . A 96 ALA HB1 . 18012 1 954 . 1 1 96 96 ALA HB2 H 1 1.380 0.01 . 1 . . . A 96 ALA HB2 . 18012 1 955 . 1 1 96 96 ALA HB3 H 1 1.380 0.01 . 1 . . . A 96 ALA HB3 . 18012 1 956 . 1 1 96 96 ALA C C 13 179.510 0.1 . 1 . . . A 96 ALA C . 18012 1 957 . 1 1 96 96 ALA CA C 13 55.120 0.1 . 1 . . . A 96 ALA CA . 18012 1 958 . 1 1 96 96 ALA CB C 13 19.686 0.1 . 1 . . . A 96 ALA CB . 18012 1 959 . 1 1 97 97 LYS H H 1 8.240 0.01 . 1 . . . A 97 LYS H . 18012 1 960 . 1 1 97 97 LYS HA H 1 3.800 0.01 . 1 . . . A 97 LYS HA . 18012 1 961 . 1 1 97 97 LYS HB3 H 1 1.900 0.01 . 2 . . . A 97 LYS HB3 . 18012 1 962 . 1 1 97 97 LYS HG2 H 1 1.710 0.01 . 2 . . . A 97 LYS HG2 . 18012 1 963 . 1 1 97 97 LYS HG3 H 1 1.218 0.01 . 2 . . . A 97 LYS HG3 . 18012 1 964 . 1 1 97 97 LYS HD2 H 1 1.630 0.01 . 2 . . . A 97 LYS HD2 . 18012 1 965 . 1 1 97 97 LYS HE2 H 1 2.738 0.01 . 2 . . . A 97 LYS HE2 . 18012 1 966 . 1 1 97 97 LYS HE3 H 1 2.826 0.01 . 2 . . . A 97 LYS HE3 . 18012 1 967 . 1 1 97 97 LYS C C 13 179.711 0.1 . 1 . . . A 97 LYS C . 18012 1 968 . 1 1 97 97 LYS CA C 13 60.226 0.1 . 1 . . . A 97 LYS CA . 18012 1 969 . 1 1 97 97 LYS CB C 13 32.563 0.1 . 1 . . . A 97 LYS CB . 18012 1 970 . 1 1 97 97 LYS CG C 13 26.669 0.1 . 1 . . . A 97 LYS CG . 18012 1 971 . 1 1 97 97 LYS CD C 13 29.800 0.1 . 1 . . . A 97 LYS CD . 18012 1 972 . 1 1 97 97 LYS CE C 13 42.100 0.1 . 1 . . . A 97 LYS CE . 18012 1 973 . 1 1 97 97 LYS N N 15 115.846 0.1 . 1 . . . A 97 LYS N . 18012 1 974 . 1 1 98 98 GLU H H 1 7.500 0.01 . 1 . . . A 98 GLU H . 18012 1 975 . 1 1 98 98 GLU HA H 1 4.140 0.01 . 1 . . . A 98 GLU HA . 18012 1 976 . 1 1 98 98 GLU HB3 H 1 2.150 0.01 . 2 . . . A 98 GLU HB3 . 18012 1 977 . 1 1 98 98 GLU HG2 H 1 2.400 0.01 . 2 . . . A 98 GLU HG2 . 18012 1 978 . 1 1 98 98 GLU HG3 H 1 2.480 0.01 . 2 . . . A 98 GLU HG3 . 18012 1 979 . 1 1 98 98 GLU C C 13 177.313 0.1 . 1 . . . A 98 GLU C . 18012 1 980 . 1 1 98 98 GLU CA C 13 58.099 0.1 . 1 . . . A 98 GLU CA . 18012 1 981 . 1 1 98 98 GLU CB C 13 29.918 0.1 . 1 . . . A 98 GLU CB . 18012 1 982 . 1 1 98 98 GLU CG C 13 36.400 0.1 . 1 . . . A 98 GLU CG . 18012 1 983 . 1 1 98 98 GLU N N 15 117.018 0.1 . 1 . . . A 98 GLU N . 18012 1 984 . 1 1 99 99 MET H H 1 7.380 0.01 . 1 . . . A 99 MET H . 18012 1 985 . 1 1 99 99 MET HA H 1 4.520 0.01 . 1 . . . A 99 MET HA . 18012 1 986 . 1 1 99 99 MET HB3 H 1 2.330 0.01 . 2 . . . A 99 MET HB3 . 18012 1 987 . 1 1 99 99 MET HG2 H 1 2.768 0.01 . 2 . . . A 99 MET HG2 . 18012 1 988 . 1 1 99 99 MET HG3 H 1 2.885 0.01 . 2 . . . A 99 MET HG3 . 18012 1 989 . 1 1 99 99 MET HE1 H 1 2.138 0.01 . 1 . . . A 99 MET HE1 . 18012 1 990 . 1 1 99 99 MET HE2 H 1 2.138 0.01 . 1 . . . A 99 MET HE2 . 18012 1 991 . 1 1 99 99 MET HE3 H 1 2.138 0.01 . 1 . . . A 99 MET HE3 . 18012 1 992 . 1 1 99 99 MET C C 13 175.909 0.1 . 1 . . . A 99 MET C . 18012 1 993 . 1 1 99 99 MET CA C 13 55.049 0.1 . 1 . . . A 99 MET CA . 18012 1 994 . 1 1 99 99 MET CB C 13 33.716 0.1 . 1 . . . A 99 MET CB . 18012 1 995 . 1 1 99 99 MET CG C 13 32.392 0.1 . 1 . . . A 99 MET CG . 18012 1 996 . 1 1 99 99 MET CE C 13 17.227 0.1 . 1 . . . A 99 MET CE . 18012 1 997 . 1 1 99 99 MET N N 15 114.669 0.1 . 1 . . . A 99 MET N . 18012 1 998 . 1 1 100 100 VAL H H 1 7.060 0.01 . 1 . . . A 100 VAL H . 18012 1 999 . 1 1 100 100 VAL HA H 1 3.250 0.01 . 1 . . . A 100 VAL HA . 18012 1 1000 . 1 1 100 100 VAL HB H 1 2.090 0.01 . 1 . . . A 100 VAL HB . 18012 1 1001 . 1 1 100 100 VAL HG11 H 1 1.136 0.01 . 2 . . . A 100 VAL HG11 . 18012 1 1002 . 1 1 100 100 VAL HG12 H 1 1.136 0.01 . 2 . . . A 100 VAL HG12 . 18012 1 1003 . 1 1 100 100 VAL HG13 H 1 1.136 0.01 . 2 . . . A 100 VAL HG13 . 18012 1 1004 . 1 1 100 100 VAL HG21 H 1 1.052 0.01 . 2 . . . A 100 VAL HG21 . 18012 1 1005 . 1 1 100 100 VAL HG22 H 1 1.052 0.01 . 2 . . . A 100 VAL HG22 . 18012 1 1006 . 1 1 100 100 VAL HG23 H 1 1.052 0.01 . 2 . . . A 100 VAL HG23 . 18012 1 1007 . 1 1 100 100 VAL C C 13 177.038 0.1 . 1 . . . A 100 VAL C . 18012 1 1008 . 1 1 100 100 VAL CA C 13 65.916 0.1 . 1 . . . A 100 VAL CA . 18012 1 1009 . 1 1 100 100 VAL CB C 13 31.410 0.1 . 1 . . . A 100 VAL CB . 18012 1 1010 . 1 1 100 100 VAL CG1 C 13 24.400 0.1 . 1 . . . A 100 VAL CG1 . 18012 1 1011 . 1 1 100 100 VAL CG2 C 13 21.879 0.1 . 1 . . . A 100 VAL CG2 . 18012 1 1012 . 1 1 100 100 VAL N N 15 119.167 0.1 . 1 . . . A 100 VAL N . 18012 1 1013 . 1 1 101 101 GLY H H 1 8.971 0.01 . 1 . . . A 101 GLY H . 18012 1 1014 . 1 1 101 101 GLY HA2 H 1 3.815 0.01 . 2 . . . A 101 GLY HA2 . 18012 1 1015 . 1 1 101 101 GLY HA3 H 1 4.514 0.01 . 2 . . . A 101 GLY HA3 . 18012 1 1016 . 1 1 101 101 GLY C C 13 174.750 0.1 . 1 . . . A 101 GLY C . 18012 1 1017 . 1 1 101 101 GLY CA C 13 44.431 0.1 . 1 . . . A 101 GLY CA . 18012 1 1018 . 1 1 101 101 GLY N N 15 116.705 0.1 . 1 . . . A 101 GLY N . 18012 1 1019 . 1 1 102 102 GLN H H 1 8.120 0.01 . 1 . . . A 102 GLN H . 18012 1 1020 . 1 1 102 102 GLN HA H 1 4.208 0.01 . 1 . . . A 102 GLN HA . 18012 1 1021 . 1 1 102 102 GLN HB3 H 1 2.090 0.01 . 2 . . . A 102 GLN HB3 . 18012 1 1022 . 1 1 102 102 GLN HG2 H 1 2.407 0.01 . 2 . . . A 102 GLN HG2 . 18012 1 1023 . 1 1 102 102 GLN HG3 H 1 2.513 0.01 . 2 . . . A 102 GLN HG3 . 18012 1 1024 . 1 1 102 102 GLN HE21 H 1 6.839 0.01 . 2 . . . A 102 GLN HE21 . 18012 1 1025 . 1 1 102 102 GLN HE22 H 1 7.497 0.01 . 2 . . . A 102 GLN HE22 . 18012 1 1026 . 1 1 102 102 GLN C C 13 174.994 0.1 . 1 . . . A 102 GLN C . 18012 1 1027 . 1 1 102 102 GLN CA C 13 56.663 0.1 . 1 . . . A 102 GLN CA . 18012 1 1028 . 1 1 102 102 GLN CB C 13 29.000 0.1 . 1 . . . A 102 GLN CB . 18012 1 1029 . 1 1 102 102 GLN CG C 13 34.500 0.1 . 1 . . . A 102 GLN CG . 18012 1 1030 . 1 1 102 102 GLN N N 15 120.004 0.1 . 1 . . . A 102 GLN N . 18012 1 1031 . 1 1 103 103 LYS H H 1 8.343 0.01 . 1 . . . A 103 LYS H . 18012 1 1032 . 1 1 103 103 LYS HA H 1 5.220 0.01 . 1 . . . A 103 LYS HA . 18012 1 1033 . 1 1 103 103 LYS HB3 H 1 1.690 0.01 . 2 . . . A 103 LYS HB3 . 18012 1 1034 . 1 1 103 103 LYS HG2 H 1 1.322 0.01 . 2 . . . A 103 LYS HG2 . 18012 1 1035 . 1 1 103 103 LYS HG3 H 1 1.490 0.01 . 2 . . . A 103 LYS HG3 . 18012 1 1036 . 1 1 103 103 LYS HD2 H 1 1.588 0.01 . 2 . . . A 103 LYS HD2 . 18012 1 1037 . 1 1 103 103 LYS HD3 H 1 1.481 0.01 . 2 . . . A 103 LYS HD3 . 18012 1 1038 . 1 1 103 103 LYS HE2 H 1 2.947 0.01 . 2 . . . A 103 LYS HE2 . 18012 1 1039 . 1 1 103 103 LYS C C 13 176.733 0.1 . 1 . . . A 103 LYS C . 18012 1 1040 . 1 1 103 103 LYS CA C 13 54.642 0.1 . 1 . . . A 103 LYS CA . 18012 1 1041 . 1 1 103 103 LYS CB C 13 34.196 0.1 . 1 . . . A 103 LYS CB . 18012 1 1042 . 1 1 103 103 LYS CG C 13 25.200 0.1 . 1 . . . A 103 LYS CG . 18012 1 1043 . 1 1 103 103 LYS CD C 13 28.939 0.1 . 1 . . . A 103 LYS CD . 18012 1 1044 . 1 1 103 103 LYS CE C 13 42.400 0.1 . 1 . . . A 103 LYS CE . 18012 1 1045 . 1 1 103 103 LYS N N 15 120.534 0.1 . 1 . . . A 103 LYS N . 18012 1 1046 . 1 1 104 104 MET H H 1 8.544 0.01 . 1 . . . A 104 MET H . 18012 1 1047 . 1 1 104 104 MET HA H 1 4.710 0.01 . 1 . . . A 104 MET HA . 18012 1 1048 . 1 1 104 104 MET HB2 H 1 1.670 0.01 . 2 . . . A 104 MET HB2 . 18012 1 1049 . 1 1 104 104 MET HB3 H 1 2.110 0.01 . 2 . . . A 104 MET HB3 . 18012 1 1050 . 1 1 104 104 MET HG2 H 1 2.220 0.01 . 2 . . . A 104 MET HG2 . 18012 1 1051 . 1 1 104 104 MET HG3 H 1 2.354 0.01 . 2 . . . A 104 MET HG3 . 18012 1 1052 . 1 1 104 104 MET HE1 H 1 1.975 0.01 . 1 . . . A 104 MET HE1 . 18012 1 1053 . 1 1 104 104 MET HE2 H 1 1.975 0.01 . 1 . . . A 104 MET HE2 . 18012 1 1054 . 1 1 104 104 MET HE3 H 1 1.975 0.01 . 1 . . . A 104 MET HE3 . 18012 1 1055 . 1 1 104 104 MET C C 13 174.231 0.1 . 1 . . . A 104 MET C . 18012 1 1056 . 1 1 104 104 MET CA C 13 54.276 0.1 . 1 . . . A 104 MET CA . 18012 1 1057 . 1 1 104 104 MET CB C 13 36.695 0.1 . 1 . . . A 104 MET CB . 18012 1 1058 . 1 1 104 104 MET CG C 13 32.500 0.1 . 1 . . . A 104 MET CG . 18012 1 1059 . 1 1 104 104 MET CE C 13 17.727 0.1 . 1 . . . A 104 MET CE . 18012 1 1060 . 1 1 104 104 MET N N 15 119.872 0.1 . 1 . . . A 104 MET N . 18012 1 1061 . 1 1 105 105 LYS H H 1 8.330 0.01 . 1 . . . A 105 LYS H . 18012 1 1062 . 1 1 105 105 LYS HA H 1 4.370 0.01 . 1 . . . A 105 LYS HA . 18012 1 1063 . 1 1 105 105 LYS HB2 H 1 1.715 0.01 . 2 . . . A 105 LYS HB2 . 18012 1 1064 . 1 1 105 105 LYS HG2 H 1 1.467 0.01 . 2 . . . A 105 LYS HG2 . 18012 1 1065 . 1 1 105 105 LYS HG3 H 1 1.362 0.01 . 2 . . . A 105 LYS HG3 . 18012 1 1066 . 1 1 105 105 LYS HD3 H 1 1.685 0.01 . 2 . . . A 105 LYS HD3 . 18012 1 1067 . 1 1 105 105 LYS HE2 H 1 2.985 0.01 . 2 . . . A 105 LYS HE2 . 18012 1 1068 . 1 1 105 105 LYS C C 13 175.517 0.1 . 1 . . . A 105 LYS C . 18012 1 1069 . 1 1 105 105 LYS CA C 13 57.000 0.1 . 1 . . . A 105 LYS CA . 18012 1 1070 . 1 1 105 105 LYS CB C 13 32.851 0.1 . 1 . . . A 105 LYS CB . 18012 1 1071 . 1 1 105 105 LYS CG C 13 24.855 0.1 . 1 . . . A 105 LYS CG . 18012 1 1072 . 1 1 105 105 LYS CD C 13 29.300 0.1 . 1 . . . A 105 LYS CD . 18012 1 1073 . 1 1 105 105 LYS CE C 13 42.017 0.1 . 1 . . . A 105 LYS CE . 18012 1 1074 . 1 1 105 105 LYS N N 15 121.148 0.1 . 1 . . . A 105 LYS N . 18012 1 1075 . 1 1 106 106 TYR HD1 H 1 6.070 0.01 . 3 . . . A 106 TYR HD1 . 18012 1 1076 . 1 1 106 106 TYR CA C 13 59.647 0.1 . 1 . . . A 106 TYR CA . 18012 1 1077 . 1 1 106 106 TYR CB C 13 38.086 0.1 . 1 . . . A 106 TYR CB . 18012 1 1078 . 1 1 107 107 SER H H 1 8.290 0.01 . 1 . . . A 107 SER H . 18012 1 1079 . 1 1 107 107 SER HA H 1 4.507 0.01 . 1 . . . A 107 SER HA . 18012 1 1080 . 1 1 107 107 SER HB2 H 1 4.025 0.01 . 2 . . . A 107 SER HB2 . 18012 1 1081 . 1 1 107 107 SER HB3 H 1 3.763 0.01 . 2 . . . A 107 SER HB3 . 18012 1 1082 . 1 1 107 107 SER C C 13 178.002 0.1 . 1 . . . A 107 SER C . 18012 1 1083 . 1 1 107 107 SER CA C 13 55.552 0.1 . 1 . . . A 107 SER CA . 18012 1 1084 . 1 1 107 107 SER CB C 13 74.790 0.1 . 1 . . . A 107 SER CB . 18012 1 1085 . 1 1 107 107 SER N N 15 114.669 0.1 . 1 . . . A 107 SER N . 18012 1 1086 . 1 1 108 108 ILE HA H 1 4.221 0.01 . 1 . . . A 108 ILE HA . 18012 1 1087 . 1 1 108 108 ILE HB H 1 1.849 0.01 . 1 . . . A 108 ILE HB . 18012 1 1088 . 1 1 108 108 ILE HG12 H 1 1.170 0.01 . 1 . . . A 108 ILE HG12 . 18012 1 1089 . 1 1 108 108 ILE HG13 H 1 1.460 0.01 . 1 . . . A 108 ILE HG13 . 18012 1 1090 . 1 1 108 108 ILE HG21 H 1 0.893 0.01 . 1 . . . A 108 ILE HG21 . 18012 1 1091 . 1 1 108 108 ILE HG22 H 1 0.893 0.01 . 1 . . . A 108 ILE HG22 . 18012 1 1092 . 1 1 108 108 ILE HG23 H 1 0.893 0.01 . 1 . . . A 108 ILE HG23 . 18012 1 1093 . 1 1 108 108 ILE HD11 H 1 0.818 0.01 . 1 . . . A 108 ILE HD11 . 18012 1 1094 . 1 1 108 108 ILE HD12 H 1 0.818 0.01 . 1 . . . A 108 ILE HD12 . 18012 1 1095 . 1 1 108 108 ILE HD13 H 1 0.818 0.01 . 1 . . . A 108 ILE HD13 . 18012 1 1096 . 1 1 108 108 ILE CA C 13 60.800 0.1 . 1 . . . A 108 ILE CA . 18012 1 1097 . 1 1 108 108 ILE CB C 13 38.400 0.1 . 1 . . . A 108 ILE CB . 18012 1 1098 . 1 1 108 108 ILE CG1 C 13 27.200 0.1 . 1 . . . A 108 ILE CG1 . 18012 1 1099 . 1 1 108 108 ILE CG2 C 13 17.500 0.1 . 1 . . . A 108 ILE CG2 . 18012 1 1100 . 1 1 108 108 ILE CD1 C 13 12.600 0.1 . 1 . . . A 108 ILE CD1 . 18012 1 1101 . 1 1 109 109 VAL HA H 1 4.130 0.01 . 1 . . . A 109 VAL HA . 18012 1 1102 . 1 1 109 109 VAL HB H 1 2.120 0.01 . 1 . . . A 109 VAL HB . 18012 1 1103 . 1 1 109 109 VAL HG21 H 1 0.913 0.01 . 2 . . . A 109 VAL HG21 . 18012 1 1104 . 1 1 109 109 VAL HG22 H 1 0.913 0.01 . 2 . . . A 109 VAL HG22 . 18012 1 1105 . 1 1 109 109 VAL HG23 H 1 0.913 0.01 . 2 . . . A 109 VAL HG23 . 18012 1 1106 . 1 1 109 109 VAL CA C 13 62.670 0.1 . 1 . . . A 109 VAL CA . 18012 1 1107 . 1 1 109 109 VAL CB C 13 32.530 0.1 . 1 . . . A 109 VAL CB . 18012 1 1108 . 1 1 109 109 VAL CG2 C 13 21.000 0.1 . 1 . . . A 109 VAL CG2 . 18012 1 1109 . 1 1 110 110 SER H H 1 8.130 0.01 . 1 . . . A 110 SER H . 18012 1 1110 . 1 1 110 110 SER HA H 1 4.360 0.01 . 1 . . . A 110 SER HA . 18012 1 1111 . 1 1 110 110 SER HB2 H 1 3.820 0.01 . 2 . . . A 110 SER HB2 . 18012 1 1112 . 1 1 110 110 SER HB3 H 1 3.770 0.01 . 2 . . . A 110 SER HB3 . 18012 1 1113 . 1 1 110 110 SER C C 13 174.079 0.1 . 1 . . . A 110 SER C . 18012 1 1114 . 1 1 110 110 SER CA C 13 58.670 0.1 . 1 . . . A 110 SER CA . 18012 1 1115 . 1 1 110 110 SER CB C 13 63.736 0.1 . 1 . . . A 110 SER CB . 18012 1 1116 . 1 1 111 111 ARG H H 1 8.239 0.01 . 1 . . . A 111 ARG H . 18012 1 1117 . 1 1 111 111 ARG HA H 1 4.250 0.01 . 1 . . . A 111 ARG HA . 18012 1 1118 . 1 1 111 111 ARG HB2 H 1 1.832 0.01 . 2 . . . A 111 ARG HB2 . 18012 1 1119 . 1 1 111 111 ARG HB3 H 1 1.963 0.01 . 2 . . . A 111 ARG HB3 . 18012 1 1120 . 1 1 111 111 ARG HG2 H 1 1.621 0.01 . 2 . . . A 111 ARG HG2 . 18012 1 1121 . 1 1 111 111 ARG HG3 H 1 1.815 0.01 . 2 . . . A 111 ARG HG3 . 18012 1 1122 . 1 1 111 111 ARG HD2 H 1 3.308 0.01 . 2 . . . A 111 ARG HD2 . 18012 1 1123 . 1 1 111 111 ARG HD3 H 1 3.249 0.01 . 2 . . . A 111 ARG HD3 . 18012 1 1124 . 1 1 111 111 ARG C C 13 175.391 0.1 . 1 . . . A 111 ARG C . 18012 1 1125 . 1 1 111 111 ARG CA C 13 56.237 0.1 . 1 . . . A 111 ARG CA . 18012 1 1126 . 1 1 111 111 ARG CB C 13 30.687 0.1 . 1 . . . A 111 ARG CB . 18012 1 1127 . 1 1 111 111 ARG CG C 13 27.025 0.1 . 1 . . . A 111 ARG CG . 18012 1 1128 . 1 1 111 111 ARG CD C 13 43.997 0.1 . 1 . . . A 111 ARG CD . 18012 1 1129 . 1 1 111 111 ARG N N 15 121.671 0.1 . 1 . . . A 111 ARG N . 18012 1 1130 . 1 1 112 112 ASN H H 1 8.110 0.01 . 1 . . . A 112 ASN H . 18012 1 1131 . 1 1 112 112 ASN HA H 1 4.790 0.01 . 1 . . . A 112 ASN HA . 18012 1 1132 . 1 1 112 112 ASN HB2 H 1 3.034 0.01 . 2 . . . A 112 ASN HB2 . 18012 1 1133 . 1 1 112 112 ASN HB3 H 1 2.875 0.01 . 2 . . . A 112 ASN HB3 . 18012 1 1134 . 1 1 112 112 ASN HD21 H 1 7.094 0.01 . 2 . . . A 112 ASN HD21 . 18012 1 1135 . 1 1 112 112 ASN HD22 H 1 7.545 0.01 . 2 . . . A 112 ASN HD22 . 18012 1 1136 . 1 1 112 112 ASN C C 13 175.526 0.1 . 1 . . . A 112 ASN C . 18012 1 1137 . 1 1 112 112 ASN CA C 13 55.705 0.1 . 1 . . . A 112 ASN CA . 18012 1 1138 . 1 1 112 112 ASN CB C 13 38.328 0.1 . 1 . . . A 112 ASN CB . 18012 1 1139 . 1 1 112 112 ASN N N 15 121.899 0.1 . 1 . . . A 112 ASN N . 18012 1 1140 . 1 1 112 112 ASN ND2 N 15 111.348 0.1 . 1 . . . A 112 ASN ND2 . 18012 1 1141 . 1 1 113 113 CYS H H 1 7.120 0.01 . 1 . . . A 113 CYS H . 18012 1 1142 . 1 1 113 113 CYS HA H 1 4.488 0.01 . 1 . . . A 113 CYS HA . 18012 1 1143 . 1 1 113 113 CYS HB3 H 1 3.656 0.01 . 2 . . . A 113 CYS HB3 . 18012 1 1144 . 1 1 113 113 CYS C C 13 176.337 0.1 . 1 . . . A 113 CYS C . 18012 1 1145 . 1 1 113 113 CYS CA C 13 61.609 0.1 . 1 . . . A 113 CYS CA . 18012 1 1146 . 1 1 113 113 CYS CB C 13 27.200 0.1 . 1 . . . A 113 CYS CB . 18012 1 1147 . 1 1 114 114 GLU H H 1 7.780 0.01 . 1 . . . A 114 GLU H . 18012 1 1148 . 1 1 114 114 GLU HA H 1 3.448 0.01 . 1 . . . A 114 GLU HA . 18012 1 1149 . 1 1 114 114 GLU HB2 H 1 1.373 0.01 . 2 . . . A 114 GLU HB2 . 18012 1 1150 . 1 1 114 114 GLU HB3 H 1 1.741 0.01 . 2 . . . A 114 GLU HB3 . 18012 1 1151 . 1 1 114 114 GLU HG2 H 1 1.259 0.01 . 2 . . . A 114 GLU HG2 . 18012 1 1152 . 1 1 114 114 GLU HG3 H 1 0.417 0.01 . 2 . . . A 114 GLU HG3 . 18012 1 1153 . 1 1 114 114 GLU C C 13 177.862 0.1 . 1 . . . A 114 GLU C . 18012 1 1154 . 1 1 114 114 GLU CA C 13 58.577 0.1 . 1 . . . A 114 GLU CA . 18012 1 1155 . 1 1 114 114 GLU CB C 13 30.110 0.1 . 1 . . . A 114 GLU CB . 18012 1 1156 . 1 1 114 114 GLU CG C 13 34.139 0.1 . 1 . . . A 114 GLU CG . 18012 1 1157 . 1 1 114 114 GLU N N 15 124.923 0.1 . 1 . . . A 114 GLU N . 18012 1 1158 . 1 1 115 115 HIS H H 1 8.047 0.01 . 1 . . . A 115 HIS H . 18012 1 1159 . 1 1 115 115 HIS HA H 1 4.370 0.01 . 1 . . . A 115 HIS HA . 18012 1 1160 . 1 1 115 115 HIS HB3 H 1 3.140 0.01 . 2 . . . A 115 HIS HB3 . 18012 1 1161 . 1 1 115 115 HIS C C 13 177.161 0.1 . 1 . . . A 115 HIS C . 18012 1 1162 . 1 1 115 115 HIS CA C 13 58.600 0.1 . 1 . . . A 115 HIS CA . 18012 1 1163 . 1 1 115 115 HIS CB C 13 30.400 0.1 . 1 . . . A 115 HIS CB . 18012 1 1164 . 1 1 115 115 HIS N N 15 119.320 0.1 . 1 . . . A 115 HIS N . 18012 1 1165 . 1 1 116 116 PHE H H 1 8.164 0.01 . 1 . . . A 116 PHE H . 18012 1 1166 . 1 1 116 116 PHE HA H 1 4.350 0.01 . 1 . . . A 116 PHE HA . 18012 1 1167 . 1 1 116 116 PHE HB2 H 1 3.076 0.01 . 2 . . . A 116 PHE HB2 . 18012 1 1168 . 1 1 116 116 PHE HB3 H 1 3.495 0.01 . 2 . . . A 116 PHE HB3 . 18012 1 1169 . 1 1 116 116 PHE HD1 H 1 7.326 0.01 . 3 . . . A 116 PHE HD1 . 18012 1 1170 . 1 1 116 116 PHE HE1 H 1 7.178 0.01 . 3 . . . A 116 PHE HE1 . 18012 1 1171 . 1 1 116 116 PHE HE2 H 1 7.089 0.01 . 3 . . . A 116 PHE HE2 . 18012 1 1172 . 1 1 116 116 PHE HZ H 1 7.422 0.01 . 1 . . . A 116 PHE HZ . 18012 1 1173 . 1 1 116 116 PHE CA C 13 61.077 0.1 . 1 . . . A 116 PHE CA . 18012 1 1174 . 1 1 116 116 PHE CB C 13 39.700 0.1 . 1 . . . A 116 PHE CB . 18012 1 1175 . 1 1 116 116 PHE N N 15 117.150 0.1 . 1 . . . A 116 PHE N . 18012 1 1176 . 1 1 117 117 VAL H H 1 7.142 0.01 . 1 . . . A 117 VAL H . 18012 1 1177 . 1 1 117 117 VAL HA H 1 3.850 0.01 . 1 . . . A 117 VAL HA . 18012 1 1178 . 1 1 117 117 VAL HB H 1 2.310 0.01 . 1 . . . A 117 VAL HB . 18012 1 1179 . 1 1 117 117 VAL HG11 H 1 1.220 0.01 . 2 . . . A 117 VAL HG11 . 18012 1 1180 . 1 1 117 117 VAL HG12 H 1 1.220 0.01 . 2 . . . A 117 VAL HG12 . 18012 1 1181 . 1 1 117 117 VAL HG13 H 1 1.220 0.01 . 2 . . . A 117 VAL HG13 . 18012 1 1182 . 1 1 117 117 VAL HG21 H 1 1.350 0.01 . 2 . . . A 117 VAL HG21 . 18012 1 1183 . 1 1 117 117 VAL HG22 H 1 1.350 0.01 . 2 . . . A 117 VAL HG22 . 18012 1 1184 . 1 1 117 117 VAL HG23 H 1 1.350 0.01 . 2 . . . A 117 VAL HG23 . 18012 1 1185 . 1 1 117 117 VAL C C 13 177.984 0.1 . 1 . . . A 117 VAL C . 18012 1 1186 . 1 1 117 117 VAL CA C 13 64.427 0.1 . 1 . . . A 117 VAL CA . 18012 1 1187 . 1 1 117 117 VAL CB C 13 30.398 0.1 . 1 . . . A 117 VAL CB . 18012 1 1188 . 1 1 117 117 VAL CG1 C 13 24.100 0.1 . 1 . . . A 117 VAL CG1 . 18012 1 1189 . 1 1 117 117 VAL CG2 C 13 20.800 0.1 . 1 . . . A 117 VAL CG2 . 18012 1 1190 . 1 1 117 117 VAL N N 15 108.248 0.1 . 1 . . . A 117 VAL N . 18012 1 1191 . 1 1 118 118 THR H H 1 8.435 0.01 . 1 . . . A 118 THR H . 18012 1 1192 . 1 1 118 118 THR HA H 1 4.030 0.01 . 1 . . . A 118 THR HA . 18012 1 1193 . 1 1 118 118 THR HB H 1 4.298 0.01 . 1 . . . A 118 THR HB . 18012 1 1194 . 1 1 118 118 THR HG21 H 1 1.219 0.01 . 1 . . . A 118 THR HG21 . 18012 1 1195 . 1 1 118 118 THR HG22 H 1 1.219 0.01 . 1 . . . A 118 THR HG22 . 18012 1 1196 . 1 1 118 118 THR HG23 H 1 1.219 0.01 . 1 . . . A 118 THR HG23 . 18012 1 1197 . 1 1 118 118 THR C C 13 178.253 0.1 . 1 . . . A 118 THR C . 18012 1 1198 . 1 1 118 118 THR CA C 13 66.714 0.1 . 1 . . . A 118 THR CA . 18012 1 1199 . 1 1 118 118 THR CB C 13 68.271 0.1 . 1 . . . A 118 THR CB . 18012 1 1200 . 1 1 118 118 THR CG2 C 13 22.350 0.1 . 1 . . . A 118 THR CG2 . 18012 1 1201 . 1 1 118 118 THR N N 15 117.385 0.1 . 1 . . . A 118 THR N . 18012 1 1202 . 1 1 119 119 GLN H H 1 8.063 0.01 . 1 . . . A 119 GLN H . 18012 1 1203 . 1 1 119 119 GLN HA H 1 3.890 0.01 . 1 . . . A 119 GLN HA . 18012 1 1204 . 1 1 119 119 GLN HB2 H 1 1.940 0.01 . 2 . . . A 119 GLN HB2 . 18012 1 1205 . 1 1 119 119 GLN HB3 H 1 2.069 0.01 . 2 . . . A 119 GLN HB3 . 18012 1 1206 . 1 1 119 119 GLN HG2 H 1 2.158 0.01 . 2 . . . A 119 GLN HG2 . 18012 1 1207 . 1 1 119 119 GLN HG3 H 1 2.303 0.01 . 2 . . . A 119 GLN HG3 . 18012 1 1208 . 1 1 119 119 GLN HE21 H 1 6.649 0.01 . 2 . . . A 119 GLN HE21 . 18012 1 1209 . 1 1 119 119 GLN HE22 H 1 7.211 0.01 . 2 . . . A 119 GLN HE22 . 18012 1 1210 . 1 1 119 119 GLN CA C 13 58.849 0.1 . 1 . . . A 119 GLN CA . 18012 1 1211 . 1 1 119 119 GLN CB C 13 27.730 0.1 . 1 . . . A 119 GLN CB . 18012 1 1212 . 1 1 119 119 GLN CG C 13 34.308 0.1 . 1 . . . A 119 GLN CG . 18012 1 1213 . 1 1 119 119 GLN N N 15 121.710 0.1 . 1 . . . A 119 GLN N . 18012 1 1214 . 1 1 119 119 GLN NE2 N 15 110.665 0.1 . 1 . . . A 119 GLN NE2 . 18012 1 1215 . 1 1 120 120 LEU H H 1 6.858 0.01 . 1 . . . A 120 LEU H . 18012 1 1216 . 1 1 120 120 LEU HA H 1 3.840 0.01 . 1 . . . A 120 LEU HA . 18012 1 1217 . 1 1 120 120 LEU HB2 H 1 0.982 0.01 . 2 . . . A 120 LEU HB2 . 18012 1 1218 . 1 1 120 120 LEU HB3 H 1 1.810 0.01 . 2 . . . A 120 LEU HB3 . 18012 1 1219 . 1 1 120 120 LEU HG H 1 1.360 0.01 . 1 . . . A 120 LEU HG . 18012 1 1220 . 1 1 120 120 LEU HD11 H 1 0.563 0.01 . 2 . . . A 120 LEU HD11 . 18012 1 1221 . 1 1 120 120 LEU HD12 H 1 0.563 0.01 . 2 . . . A 120 LEU HD12 . 18012 1 1222 . 1 1 120 120 LEU HD13 H 1 0.563 0.01 . 2 . . . A 120 LEU HD13 . 18012 1 1223 . 1 1 120 120 LEU HD21 H 1 0.310 0.01 . 2 . . . A 120 LEU HD21 . 18012 1 1224 . 1 1 120 120 LEU HD22 H 1 0.310 0.01 . 2 . . . A 120 LEU HD22 . 18012 1 1225 . 1 1 120 120 LEU HD23 H 1 0.310 0.01 . 2 . . . A 120 LEU HD23 . 18012 1 1226 . 1 1 120 120 LEU C C 13 178.351 0.1 . 1 . . . A 120 LEU C . 18012 1 1227 . 1 1 120 120 LEU CA C 13 57.360 0.1 . 1 . . . A 120 LEU CA . 18012 1 1228 . 1 1 120 120 LEU CB C 13 42.076 0.1 . 1 . . . A 120 LEU CB . 18012 1 1229 . 1 1 120 120 LEU CG C 13 26.000 0.1 . 1 . . . A 120 LEU CG . 18012 1 1230 . 1 1 120 120 LEU CD1 C 13 22.388 0.1 . 1 . . . A 120 LEU CD1 . 18012 1 1231 . 1 1 120 120 LEU CD2 C 13 26.130 0.1 . 1 . . . A 120 LEU CD2 . 18012 1 1232 . 1 1 120 120 LEU N N 15 117.995 0.1 . 1 . . . A 120 LEU N . 18012 1 1233 . 1 1 121 121 ARG H H 1 7.650 0.01 . 1 . . . A 121 ARG H . 18012 1 1234 . 1 1 121 121 ARG HA H 1 3.920 0.01 . 1 . . . A 121 ARG HA . 18012 1 1235 . 1 1 121 121 ARG HB2 H 1 1.370 0.01 . 2 . . . A 121 ARG HB2 . 18012 1 1236 . 1 1 121 121 ARG HB3 H 1 1.240 0.01 . 2 . . . A 121 ARG HB3 . 18012 1 1237 . 1 1 121 121 ARG HG2 H 1 1.439 0.01 . 2 . . . A 121 ARG HG2 . 18012 1 1238 . 1 1 121 121 ARG HG3 H 1 -0.092 0.01 . 2 . . . A 121 ARG HG3 . 18012 1 1239 . 1 1 121 121 ARG HD2 H 1 2.678 0.01 . 2 . . . A 121 ARG HD2 . 18012 1 1240 . 1 1 121 121 ARG HD3 H 1 2.977 0.01 . 2 . . . A 121 ARG HD3 . 18012 1 1241 . 1 1 121 121 ARG HE H 1 8.107 0.01 . 1 . . . A 121 ARG HE . 18012 1 1242 . 1 1 121 121 ARG C C 13 175.330 0.1 . 1 . . . A 121 ARG C . 18012 1 1243 . 1 1 121 121 ARG CA C 13 59.200 0.1 . 1 . . . A 121 ARG CA . 18012 1 1244 . 1 1 121 121 ARG CB C 13 30.256 0.1 . 1 . . . A 121 ARG CB . 18012 1 1245 . 1 1 121 121 ARG CG C 13 28.300 0.1 . 1 . . . A 121 ARG CG . 18012 1 1246 . 1 1 121 121 ARG CD C 13 43.451 0.1 . 1 . . . A 121 ARG CD . 18012 1 1247 . 1 1 121 121 ARG N N 15 117.193 0.1 . 1 . . . A 121 ARG N . 18012 1 1248 . 1 1 122 122 TYR H H 1 8.110 0.01 . 1 . . . A 122 TYR H . 18012 1 1249 . 1 1 122 122 TYR HA H 1 4.640 0.01 . 1 . . . A 122 TYR HA . 18012 1 1250 . 1 1 122 122 TYR HB2 H 1 2.670 0.01 . 2 . . . A 122 TYR HB2 . 18012 1 1251 . 1 1 122 122 TYR HB3 H 1 2.980 0.01 . 2 . . . A 122 TYR HB3 . 18012 1 1252 . 1 1 122 122 TYR HD1 H 1 6.800 0.01 . 3 . . . A 122 TYR HD1 . 18012 1 1253 . 1 1 122 122 TYR C C 13 176.794 0.1 . 1 . . . A 122 TYR C . 18012 1 1254 . 1 1 122 122 TYR CA C 13 58.577 0.1 . 1 . . . A 122 TYR CA . 18012 1 1255 . 1 1 122 122 TYR CB C 13 39.674 0.1 . 1 . . . A 122 TYR CB . 18012 1 1256 . 1 1 122 122 TYR N N 15 111.968 0.1 . 1 . . . A 122 TYR N . 18012 1 1257 . 1 1 123 123 GLY H H 1 7.970 0.01 . 1 . . . A 123 GLY H . 18012 1 1258 . 1 1 123 123 GLY HA2 H 1 3.751 0.01 . 2 . . . A 123 GLY HA2 . 18012 1 1259 . 1 1 123 123 GLY HA3 H 1 4.060 0.01 . 2 . . . A 123 GLY HA3 . 18012 1 1260 . 1 1 123 123 GLY C C 13 172.370 0.1 . 1 . . . A 123 GLY C . 18012 1 1261 . 1 1 123 123 GLY CA C 13 45.016 0.1 . 1 . . . A 123 GLY CA . 18012 1 1262 . 1 1 123 123 GLY N N 15 109.613 0.1 . 1 . . . A 123 GLY N . 18012 1 1263 . 1 1 124 124 LYS H H 1 7.540 0.01 . 1 . . . A 124 LYS H . 18012 1 1264 . 1 1 124 124 LYS HA H 1 4.340 0.01 . 1 . . . A 124 LYS HA . 18012 1 1265 . 1 1 124 124 LYS HB2 H 1 1.468 0.01 . 2 . . . A 124 LYS HB2 . 18012 1 1266 . 1 1 124 124 LYS HB3 H 1 1.660 0.01 . 2 . . . A 124 LYS HB3 . 18012 1 1267 . 1 1 124 124 LYS HG2 H 1 1.086 0.01 . 2 . . . A 124 LYS HG2 . 18012 1 1268 . 1 1 124 124 LYS HG3 H 1 1.138 0.01 . 2 . . . A 124 LYS HG3 . 18012 1 1269 . 1 1 124 124 LYS HD2 H 1 1.382 0.01 . 2 . . . A 124 LYS HD2 . 18012 1 1270 . 1 1 124 124 LYS HE2 H 1 2.797 0.01 . 2 . . . A 124 LYS HE2 . 18012 1 1271 . 1 1 124 124 LYS C C 13 174.514 0.1 . 1 . . . A 124 LYS C . 18012 1 1272 . 1 1 124 124 LYS CA C 13 55.440 0.1 . 1 . . . A 124 LYS CA . 18012 1 1273 . 1 1 124 124 LYS CB C 13 33.908 0.1 . 1 . . . A 124 LYS CB . 18012 1 1274 . 1 1 124 124 LYS CG C 13 23.745 0.1 . 1 . . . A 124 LYS CG . 18012 1 1275 . 1 1 124 124 LYS CD C 13 28.934 0.1 . 1 . . . A 124 LYS CD . 18012 1 1276 . 1 1 124 124 LYS CE C 13 42.228 0.1 . 1 . . . A 124 LYS CE . 18012 1 1277 . 1 1 124 124 LYS N N 15 118.288 0.1 . 1 . . . A 124 LYS N . 18012 1 1278 . 1 1 125 125 SER H H 1 7.872 0.01 . 1 . . . A 125 SER H . 18012 1 1279 . 1 1 125 125 SER HA H 1 4.210 0.01 . 1 . . . A 125 SER HA . 18012 1 1280 . 1 1 125 125 SER HB2 H 1 3.760 0.01 . 2 . . . A 125 SER HB2 . 18012 1 1281 . 1 1 125 125 SER C C 13 178.534 0.1 . 1 . . . A 125 SER C . 18012 1 1282 . 1 1 125 125 SER CA C 13 60.000 0.1 . 1 . . . A 125 SER CA . 18012 1 1283 . 1 1 125 125 SER CB C 13 64.800 0.1 . 1 . . . A 125 SER CB . 18012 1 1284 . 1 1 125 125 SER N N 15 121.796 0.1 . 1 . . . A 125 SER N . 18012 1 stop_ save_