data_17124 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17124 _Entry.Title ; NP_888769.1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-11 _Entry.Accession_date 2010-08-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Atia-tul Wahab . . . 17124 2 Pedro Serrano . . . 17124 3 Michael Geralt . . . 17124 4 Ian Wilson . . . 17124 5 Kurt Wuthrich . . . 17124 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 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 17124 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Bordetella bronchiseptica' . 17124 JCSG . 17124 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17124 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 565 17124 '15N chemical shifts' 142 17124 '1H chemical shifts' 947 17124 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 . . 2011-07-01 2011-08-11 update BMRB 'update entry citation' 17124 1 . . 2011-05-04 2011-08-11 original author 'original release' 17124 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17124 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21520320 _Citation.Full_citation . _Citation.Title 'NMR structure of the Bordetella bronchiseptica protein NP_888769.1 establishes a new phage-related protein family PF13554.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science' _Citation.Journal_volume 20 _Citation.Journal_issue 7 _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 1137 _Citation.Page_last 1144 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Atia-Tul Wahab . . . 17124 1 2 Pedro Serrano . . . 17124 1 3 Michael Geralt . . . 17124 1 4 Kurt Wuthrich . . . 17124 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17124 _Assembly.ID 1 _Assembly.Name NP_888769.1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 NP_888769.1 1 $NP_888769.1 A . yes native no no . . . 17124 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NP_888769.1 _Entity.Sf_category entity _Entity.Sf_framecode NP_888769.1 _Entity.Entry_ID 17124 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NP_888769.1 _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 ; GMSQDLIRAAFEKRLSDWAK ARTPALPVAWQNTKFTPPAA GVYLRAYVMPAATISRDAAG DHRQYRGVFQVNVVMPIGDG SRSAEQVAAELDALFPVNLV MQSGGLAVRVRTPISNGQPT TGDADHTVPISLGYDVQFYP E ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 141 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15260.356 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L25 . Np_888769.1 . . . . . 100.00 141 100.00 100.00 3.25e-97 . . . . 17124 1 2 no DBJ BAO70052 . "hypothetical protein BBS798_3327 [Bordetella bronchiseptica]" . . . . . 99.29 140 100.00 100.00 2.40e-96 . . . . 17124 1 3 no EMBL CAE32722 . "phage-related conserved hypothetical protein [Bordetella bronchiseptica RB50]" . . . . . 99.29 140 100.00 100.00 2.40e-96 . . . . 17124 1 4 no EMBL CAE33988 . "phage-related conserved hypothetical protein [Bordetella bronchiseptica RB50]" . . . . . 99.29 140 100.00 100.00 2.40e-96 . . . . 17124 1 5 no EMBL CCN17196 . "phage-related conserved hypothetical protein [Bordetella bronchiseptica MO211]" . . . . . 99.29 140 100.00 100.00 2.40e-96 . . . . 17124 1 6 no GB KAK74699 . "hypothetical protein L530_3421 [Bordetella bronchiseptica MO211]" . . . . . 99.29 140 100.00 100.00 2.40e-96 . . . . 17124 1 7 no GB KCV36321 . "hypothetical protein L489_3890 [Bordetella bronchiseptica 00-P-2730]" . . . . . 70.92 114 99.00 100.00 1.05e-63 . . . . 17124 1 8 no GB KCV51124 . "hypothetical protein L491_3590 [Bordetella bronchiseptica 3E44]" . . . . . 99.29 140 100.00 100.00 2.40e-96 . . . . 17124 1 9 no GB KDB85184 . "hypothetical protein L495_3595 [Bordetella bronchiseptica CARE970018BB]" . . . . . 99.29 140 100.00 100.00 2.40e-96 . . . . 17124 1 10 no GB KDB90075 . "hypothetical protein AZ17_2292 [Bordetella bronchiseptica D989]" . . . . . 99.29 140 100.00 100.00 2.40e-96 . . . . 17124 1 11 no REF WP_004566287 . "hypothetical protein [Bordetella bronchiseptica]" . . . . . 99.29 140 100.00 100.00 2.40e-96 . . . . 17124 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 17124 1 2 . MET . 17124 1 3 . SER . 17124 1 4 . GLN . 17124 1 5 . ASP . 17124 1 6 . LEU . 17124 1 7 . ILE . 17124 1 8 . ARG . 17124 1 9 . ALA . 17124 1 10 . ALA . 17124 1 11 . PHE . 17124 1 12 . GLU . 17124 1 13 . LYS . 17124 1 14 . ARG . 17124 1 15 . LEU . 17124 1 16 . SER . 17124 1 17 . ASP . 17124 1 18 . TRP . 17124 1 19 . ALA . 17124 1 20 . LYS . 17124 1 21 . ALA . 17124 1 22 . ARG . 17124 1 23 . THR . 17124 1 24 . PRO . 17124 1 25 . ALA . 17124 1 26 . LEU . 17124 1 27 . PRO . 17124 1 28 . VAL . 17124 1 29 . ALA . 17124 1 30 . TRP . 17124 1 31 . GLN . 17124 1 32 . ASN . 17124 1 33 . THR . 17124 1 34 . LYS . 17124 1 35 . PHE . 17124 1 36 . THR . 17124 1 37 . PRO . 17124 1 38 . PRO . 17124 1 39 . ALA . 17124 1 40 . ALA . 17124 1 41 . GLY . 17124 1 42 . VAL . 17124 1 43 . TYR . 17124 1 44 . LEU . 17124 1 45 . ARG . 17124 1 46 . ALA . 17124 1 47 . TYR . 17124 1 48 . VAL . 17124 1 49 . MET . 17124 1 50 . PRO . 17124 1 51 . ALA . 17124 1 52 . ALA . 17124 1 53 . THR . 17124 1 54 . ILE . 17124 1 55 . SER . 17124 1 56 . ARG . 17124 1 57 . ASP . 17124 1 58 . ALA . 17124 1 59 . ALA . 17124 1 60 . GLY . 17124 1 61 . ASP . 17124 1 62 . HIS . 17124 1 63 . ARG . 17124 1 64 . GLN . 17124 1 65 . TYR . 17124 1 66 . ARG . 17124 1 67 . GLY . 17124 1 68 . VAL . 17124 1 69 . PHE . 17124 1 70 . GLN . 17124 1 71 . VAL . 17124 1 72 . ASN . 17124 1 73 . VAL . 17124 1 74 . VAL . 17124 1 75 . MET . 17124 1 76 . PRO . 17124 1 77 . ILE . 17124 1 78 . GLY . 17124 1 79 . ASP . 17124 1 80 . GLY . 17124 1 81 . SER . 17124 1 82 . ARG . 17124 1 83 . SER . 17124 1 84 . ALA . 17124 1 85 . GLU . 17124 1 86 . GLN . 17124 1 87 . VAL . 17124 1 88 . ALA . 17124 1 89 . ALA . 17124 1 90 . GLU . 17124 1 91 . LEU . 17124 1 92 . ASP . 17124 1 93 . ALA . 17124 1 94 . LEU . 17124 1 95 . PHE . 17124 1 96 . PRO . 17124 1 97 . VAL . 17124 1 98 . ASN . 17124 1 99 . LEU . 17124 1 100 . VAL . 17124 1 101 . MET . 17124 1 102 . GLN . 17124 1 103 . SER . 17124 1 104 . GLY . 17124 1 105 . GLY . 17124 1 106 . LEU . 17124 1 107 . ALA . 17124 1 108 . VAL . 17124 1 109 . ARG . 17124 1 110 . VAL . 17124 1 111 . ARG . 17124 1 112 . THR . 17124 1 113 . PRO . 17124 1 114 . ILE . 17124 1 115 . SER . 17124 1 116 . ASN . 17124 1 117 . GLY . 17124 1 118 . GLN . 17124 1 119 . PRO . 17124 1 120 . THR . 17124 1 121 . THR . 17124 1 122 . GLY . 17124 1 123 . ASP . 17124 1 124 . ALA . 17124 1 125 . ASP . 17124 1 126 . HIS . 17124 1 127 . THR . 17124 1 128 . VAL . 17124 1 129 . PRO . 17124 1 130 . ILE . 17124 1 131 . SER . 17124 1 132 . LEU . 17124 1 133 . GLY . 17124 1 134 . TYR . 17124 1 135 . ASP . 17124 1 136 . VAL . 17124 1 137 . GLN . 17124 1 138 . PHE . 17124 1 139 . TYR . 17124 1 140 . PRO . 17124 1 141 . GLU . 17124 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17124 1 . MET 2 2 17124 1 . SER 3 3 17124 1 . GLN 4 4 17124 1 . ASP 5 5 17124 1 . LEU 6 6 17124 1 . ILE 7 7 17124 1 . ARG 8 8 17124 1 . ALA 9 9 17124 1 . ALA 10 10 17124 1 . PHE 11 11 17124 1 . GLU 12 12 17124 1 . LYS 13 13 17124 1 . ARG 14 14 17124 1 . LEU 15 15 17124 1 . SER 16 16 17124 1 . ASP 17 17 17124 1 . TRP 18 18 17124 1 . ALA 19 19 17124 1 . LYS 20 20 17124 1 . ALA 21 21 17124 1 . ARG 22 22 17124 1 . THR 23 23 17124 1 . PRO 24 24 17124 1 . ALA 25 25 17124 1 . LEU 26 26 17124 1 . PRO 27 27 17124 1 . VAL 28 28 17124 1 . ALA 29 29 17124 1 . TRP 30 30 17124 1 . GLN 31 31 17124 1 . ASN 32 32 17124 1 . THR 33 33 17124 1 . LYS 34 34 17124 1 . PHE 35 35 17124 1 . THR 36 36 17124 1 . PRO 37 37 17124 1 . PRO 38 38 17124 1 . ALA 39 39 17124 1 . ALA 40 40 17124 1 . GLY 41 41 17124 1 . VAL 42 42 17124 1 . TYR 43 43 17124 1 . LEU 44 44 17124 1 . ARG 45 45 17124 1 . ALA 46 46 17124 1 . TYR 47 47 17124 1 . VAL 48 48 17124 1 . MET 49 49 17124 1 . PRO 50 50 17124 1 . ALA 51 51 17124 1 . ALA 52 52 17124 1 . THR 53 53 17124 1 . ILE 54 54 17124 1 . SER 55 55 17124 1 . ARG 56 56 17124 1 . ASP 57 57 17124 1 . ALA 58 58 17124 1 . ALA 59 59 17124 1 . GLY 60 60 17124 1 . ASP 61 61 17124 1 . HIS 62 62 17124 1 . ARG 63 63 17124 1 . GLN 64 64 17124 1 . TYR 65 65 17124 1 . ARG 66 66 17124 1 . GLY 67 67 17124 1 . VAL 68 68 17124 1 . PHE 69 69 17124 1 . GLN 70 70 17124 1 . VAL 71 71 17124 1 . ASN 72 72 17124 1 . VAL 73 73 17124 1 . VAL 74 74 17124 1 . MET 75 75 17124 1 . PRO 76 76 17124 1 . ILE 77 77 17124 1 . GLY 78 78 17124 1 . ASP 79 79 17124 1 . GLY 80 80 17124 1 . SER 81 81 17124 1 . ARG 82 82 17124 1 . SER 83 83 17124 1 . ALA 84 84 17124 1 . GLU 85 85 17124 1 . GLN 86 86 17124 1 . VAL 87 87 17124 1 . ALA 88 88 17124 1 . ALA 89 89 17124 1 . GLU 90 90 17124 1 . LEU 91 91 17124 1 . ASP 92 92 17124 1 . ALA 93 93 17124 1 . LEU 94 94 17124 1 . PHE 95 95 17124 1 . PRO 96 96 17124 1 . VAL 97 97 17124 1 . ASN 98 98 17124 1 . LEU 99 99 17124 1 . VAL 100 100 17124 1 . MET 101 101 17124 1 . GLN 102 102 17124 1 . SER 103 103 17124 1 . GLY 104 104 17124 1 . GLY 105 105 17124 1 . LEU 106 106 17124 1 . ALA 107 107 17124 1 . VAL 108 108 17124 1 . ARG 109 109 17124 1 . VAL 110 110 17124 1 . ARG 111 111 17124 1 . THR 112 112 17124 1 . PRO 113 113 17124 1 . ILE 114 114 17124 1 . SER 115 115 17124 1 . ASN 116 116 17124 1 . GLY 117 117 17124 1 . GLN 118 118 17124 1 . PRO 119 119 17124 1 . THR 120 120 17124 1 . THR 121 121 17124 1 . GLY 122 122 17124 1 . ASP 123 123 17124 1 . ALA 124 124 17124 1 . ASP 125 125 17124 1 . HIS 126 126 17124 1 . THR 127 127 17124 1 . VAL 128 128 17124 1 . PRO 129 129 17124 1 . ILE 130 130 17124 1 . SER 131 131 17124 1 . LEU 132 132 17124 1 . GLY 133 133 17124 1 . TYR 134 134 17124 1 . ASP 135 135 17124 1 . VAL 136 136 17124 1 . GLN 137 137 17124 1 . PHE 138 138 17124 1 . TYR 139 139 17124 1 . PRO 140 140 17124 1 . GLU 141 141 17124 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 17124 _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 $NP_888769.1 . 518 organism . 'Bordetella bronchiseptica' 'B. bronchiseptica' . . Bacteria . Bordetella bronchiseptica . . . . . . . . . . . . . . . . . . . . . 17124 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 17124 _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 $NP_888769.1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pSpeedET . . . . . . 17124 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17124 _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 NP_888769.1 '[U-98% 13C; U-98% 15N]' . . 1 $NP_888769.1 . . 1.0 . . mM . . . . 17124 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17124 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17124 1 4 'sodium azide' 'natural abundance' . . . . . . 4.5 . . mM . . . . 17124 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17124 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17124 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 17124 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM sodium phosphate buffer, 50 mM sodium chloride, pH 6.0, 4.5 mM sodium azide, 5% D2O' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.11 . M 17124 1 pH 6.0 . pH 17124 1 pressure 1 . atm 17124 1 temperature 298 . K 17124 1 stop_ save_ ############################ # Computer software used # ############################ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 17124 _Software.ID 1 _Software.Name UNIO _Software.Version 2.0.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Torsten Herrmann' 'Centre Europeen de RMN a Tres Hauts Champs, Universite de Lyon/FRE 3008 CNRS/ENS lyon, 5 rue de la Doua, 69100 Villeurbanne, France' torsten.hermann@ens-lyon.fr 17124 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17124 1 'peak picking' 17124 1 'structure calculation' 17124 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17124 _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' ; Institute of Biophysical Chemistry, Goethe-University Frankfurt am Main, Max-von-Laue-Str.9 60438 Frankfurt am Main Germany ; guentert@em.uni-frankfurt.de 17124 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure calculation' 17124 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17124 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17124 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data collection' 17124 3 'data processing' 17124 3 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 17124 _Software.ID 4 _Software.Name Molmol _Software.Version 2K.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 17124 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'analysis and display of molecule' 17124 4 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17124 _Software.ID 5 _Software.Name CARA _Software.Version 1.8.4_linux _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17124 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17124 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17124 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17124 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _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 17124 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 17124 1 2 spectrometer_2 Bruker Avance . 800 . . . 17124 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 17124 _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 15N-1H HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17124 1 2 '4D APSY-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17124 1 3 '5D APSY-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17124 1 4 '5D APSY-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17124 1 5 '15N-resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17124 1 6 '13C(aliphatic)-resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17124 1 7 '13C(aromatic)-resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17124 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 17124 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 17124 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 17124 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 17124 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 17124 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 15N-1H HSQC' . . . 17124 1 2 '4D APSY-HACANH' . . . 17124 1 3 '5D APSY-HACACONH' . . . 17124 1 4 '5D APSY-CBCACONH' . . . 17124 1 5 '15N-resolved [1H,1H]-NOESY' . . . 17124 1 6 '13C(aliphatic)-resolved [1H,1H]-NOESY' . . . 17124 1 7 '13C(aromatic)-resolved [1H,1H]-NOESY' . . . 17124 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.811 0.027 . 2 . . . . 1 GLY QA . 17124 1 2 . 1 1 1 1 GLY HA3 H 1 3.811 0.027 . 2 . . . . 1 GLY QA . 17124 1 3 . 1 1 1 1 GLY CA C 13 43.290 0.15 . 1 . . . . 1 GLY CA . 17124 1 4 . 1 1 2 2 MET HA H 1 4.292 0.027 . 1 . . . . 2 MET HA . 17124 1 5 . 1 1 2 2 MET HB2 H 1 2.086 0.027 . 2 . . . . 2 MET HB2 . 17124 1 6 . 1 1 2 2 MET HE1 H 1 1.673 0.027 . 1 . . . . 2 MET QE . 17124 1 7 . 1 1 2 2 MET HE2 H 1 1.673 0.027 . 1 . . . . 2 MET QE . 17124 1 8 . 1 1 2 2 MET HE3 H 1 1.673 0.027 . 1 . . . . 2 MET QE . 17124 1 9 . 1 1 2 2 MET HG2 H 1 2.288 0.027 . 2 . . . . 2 MET HG2 . 17124 1 10 . 1 1 2 2 MET CA C 13 56.287 0.15 . 1 . . . . 2 MET CA . 17124 1 11 . 1 1 2 2 MET CB C 13 32.858 0.15 . 1 . . . . 2 MET CB . 17124 1 12 . 1 1 2 2 MET CE C 13 16.885 0.15 . 1 . . . . 2 MET CE . 17124 1 13 . 1 1 2 2 MET CG C 13 31.878 0.15 . 1 . . . . 2 MET CG . 17124 1 14 . 1 1 3 3 SER H H 1 8.283 0.027 . 1 . . . . 3 SER H . 17124 1 15 . 1 1 3 3 SER HA H 1 4.231 0.027 . 1 . . . . 3 SER HA . 17124 1 16 . 1 1 3 3 SER HB2 H 1 3.676 0.027 . 2 . . . . 3 SER HB2 . 17124 1 17 . 1 1 3 3 SER HB3 H 1 3.818 0.027 . 2 . . . . 3 SER HB3 . 17124 1 18 . 1 1 3 3 SER CA C 13 59.796 0.15 . 1 . . . . 3 SER CA . 17124 1 19 . 1 1 3 3 SER CB C 13 63.944 0.15 . 1 . . . . 3 SER CB . 17124 1 20 . 1 1 3 3 SER N N 15 117.135 0.20 . 1 . . . . 3 SER N . 17124 1 21 . 1 1 4 4 GLN H H 1 8.529 0.027 . 1 . . . . 4 GLN H . 17124 1 22 . 1 1 4 4 GLN HA H 1 3.998 0.027 . 1 . . . . 4 GLN HA . 17124 1 23 . 1 1 4 4 GLN HB2 H 1 2.072 0.027 . 2 . . . . 4 GLN QB . 17124 1 24 . 1 1 4 4 GLN HB3 H 1 2.072 0.027 . 2 . . . . 4 GLN QB . 17124 1 25 . 1 1 4 4 GLN HE21 H 1 6.450 0.027 . 2 . . . . 4 GLN HE21 . 17124 1 26 . 1 1 4 4 GLN HE22 H 1 7.615 0.027 . 2 . . . . 4 GLN HE22 . 17124 1 27 . 1 1 4 4 GLN HG2 H 1 2.471 0.027 . 2 . . . . 4 GLN QG . 17124 1 28 . 1 1 4 4 GLN HG3 H 1 2.471 0.027 . 2 . . . . 4 GLN QG . 17124 1 29 . 1 1 4 4 GLN CA C 13 58.203 0.15 . 1 . . . . 4 GLN CA . 17124 1 30 . 1 1 4 4 GLN CB C 13 27.646 0.15 . 1 . . . . 4 GLN CB . 17124 1 31 . 1 1 4 4 GLN CG C 13 33.275 0.15 . 1 . . . . 4 GLN CG . 17124 1 32 . 1 1 4 4 GLN N N 15 122.768 0.20 . 1 . . . . 4 GLN N . 17124 1 33 . 1 1 4 4 GLN NE2 N 15 110.719 0.20 . 1 . . . . 4 GLN NE2 . 17124 1 34 . 1 1 5 5 ASP H H 1 8.053 0.027 . 1 . . . . 5 ASP H . 17124 1 35 . 1 1 5 5 ASP HA H 1 4.283 0.027 . 1 . . . . 5 ASP HA . 17124 1 36 . 1 1 5 5 ASP HB2 H 1 2.587 0.027 . 2 . . . . 5 ASP QB . 17124 1 37 . 1 1 5 5 ASP HB3 H 1 2.587 0.027 . 2 . . . . 5 ASP QB . 17124 1 38 . 1 1 5 5 ASP CA C 13 56.876 0.15 . 1 . . . . 5 ASP CA . 17124 1 39 . 1 1 5 5 ASP CB C 13 39.918 0.15 . 1 . . . . 5 ASP CB . 17124 1 40 . 1 1 5 5 ASP N N 15 119.727 0.20 . 1 . . . . 5 ASP N . 17124 1 41 . 1 1 6 6 LEU H H 1 7.798 0.027 . 1 . . . . 6 LEU H . 17124 1 42 . 1 1 6 6 LEU HA H 1 3.900 0.027 . 1 . . . . 6 LEU HA . 17124 1 43 . 1 1 6 6 LEU HB2 H 1 1.864 0.027 . 2 . . . . 6 LEU HB2 . 17124 1 44 . 1 1 6 6 LEU HB3 H 1 1.305 0.027 . 2 . . . . 6 LEU HB3 . 17124 1 45 . 1 1 6 6 LEU HD11 H 1 0.951 0.027 . 1 . . . . 6 LEU QD1 . 17124 1 46 . 1 1 6 6 LEU HD12 H 1 0.951 0.027 . 1 . . . . 6 LEU QD1 . 17124 1 47 . 1 1 6 6 LEU HD13 H 1 0.951 0.027 . 1 . . . . 6 LEU QD1 . 17124 1 48 . 1 1 6 6 LEU HD21 H 1 0.702 0.027 . 1 . . . . 6 LEU QD2 . 17124 1 49 . 1 1 6 6 LEU HD22 H 1 0.702 0.027 . 1 . . . . 6 LEU QD2 . 17124 1 50 . 1 1 6 6 LEU HD23 H 1 0.702 0.027 . 1 . . . . 6 LEU QD2 . 17124 1 51 . 1 1 6 6 LEU HG H 1 1.669 0.027 . 1 . . . . 6 LEU HG . 17124 1 52 . 1 1 6 6 LEU CA C 13 57.185 0.15 . 1 . . . . 6 LEU CA . 17124 1 53 . 1 1 6 6 LEU CB C 13 41.574 0.15 . 1 . . . . 6 LEU CB . 17124 1 54 . 1 1 6 6 LEU CD1 C 13 25.543 0.15 . 2 . . . . 6 LEU CD1 . 17124 1 55 . 1 1 6 6 LEU CD2 C 13 21.900 0.15 . 2 . . . . 6 LEU CD2 . 17124 1 56 . 1 1 6 6 LEU CG C 13 26.816 0.15 . 1 . . . . 6 LEU CG . 17124 1 57 . 1 1 6 6 LEU N N 15 121.234 0.20 . 1 . . . . 6 LEU N . 17124 1 58 . 1 1 7 7 ILE H H 1 7.624 0.027 . 1 . . . . 7 ILE H . 17124 1 59 . 1 1 7 7 ILE HA H 1 3.320 0.027 . 1 . . . . 7 ILE HA . 17124 1 60 . 1 1 7 7 ILE HB H 1 1.818 0.027 . 1 . . . . 7 ILE HB . 17124 1 61 . 1 1 7 7 ILE HD11 H 1 0.791 0.027 . 1 . . . . 7 ILE QD1 . 17124 1 62 . 1 1 7 7 ILE HD12 H 1 0.791 0.027 . 1 . . . . 7 ILE QD1 . 17124 1 63 . 1 1 7 7 ILE HD13 H 1 0.791 0.027 . 1 . . . . 7 ILE QD1 . 17124 1 64 . 1 1 7 7 ILE HG12 H 1 0.640 0.027 . 2 . . . . 7 ILE HG12 . 17124 1 65 . 1 1 7 7 ILE HG13 H 1 1.645 0.027 . 2 . . . . 7 ILE HG13 . 17124 1 66 . 1 1 7 7 ILE HG21 H 1 0.614 0.027 . 1 . . . . 7 ILE QG2 . 17124 1 67 . 1 1 7 7 ILE HG22 H 1 0.614 0.027 . 1 . . . . 7 ILE QG2 . 17124 1 68 . 1 1 7 7 ILE HG23 H 1 0.614 0.027 . 1 . . . . 7 ILE QG2 . 17124 1 69 . 1 1 7 7 ILE CA C 13 65.370 0.15 . 1 . . . . 7 ILE CA . 17124 1 70 . 1 1 7 7 ILE CB C 13 38.110 0.15 . 1 . . . . 7 ILE CB . 17124 1 71 . 1 1 7 7 ILE CD1 C 13 14.908 0.15 . 1 . . . . 7 ILE CD1 . 17124 1 72 . 1 1 7 7 ILE CG1 C 13 29.314 0.15 . 1 . . . . 7 ILE CG1 . 17124 1 73 . 1 1 7 7 ILE CG2 C 13 17.353 0.15 . 1 . . . . 7 ILE CG2 . 17124 1 74 . 1 1 7 7 ILE N N 15 122.421 0.20 . 1 . . . . 7 ILE N . 17124 1 75 . 1 1 8 8 ARG H H 1 7.840 0.027 . 1 . . . . 8 ARG H . 17124 1 76 . 1 1 8 8 ARG HA H 1 3.860 0.027 . 1 . . . . 8 ARG HA . 17124 1 77 . 1 1 8 8 ARG HB2 H 1 1.907 0.027 . 2 . . . . 8 ARG HB2 . 17124 1 78 . 1 1 8 8 ARG HB3 H 1 1.818 0.027 . 2 . . . . 8 ARG HB3 . 17124 1 79 . 1 1 8 8 ARG HD2 H 1 3.019 0.027 . 2 . . . . 8 ARG QD . 17124 1 80 . 1 1 8 8 ARG HD3 H 1 3.019 0.027 . 2 . . . . 8 ARG QD . 17124 1 81 . 1 1 8 8 ARG HG2 H 1 1.914 0.027 . 2 . . . . 8 ARG HG2 . 17124 1 82 . 1 1 8 8 ARG HG3 H 1 1.817 0.027 . 2 . . . . 8 ARG HG3 . 17124 1 83 . 1 1 8 8 ARG CA C 13 59.966 0.15 . 1 . . . . 8 ARG CA . 17124 1 84 . 1 1 8 8 ARG CB C 13 29.073 0.15 . 1 . . . . 8 ARG CB . 17124 1 85 . 1 1 8 8 ARG CD C 13 43.316 0.15 . 1 . . . . 8 ARG CD . 17124 1 86 . 1 1 8 8 ARG CG C 13 28.560 0.15 . 1 . . . . 8 ARG CG . 17124 1 87 . 1 1 8 8 ARG N N 15 117.892 0.20 . 1 . . . . 8 ARG N . 17124 1 88 . 1 1 9 9 ALA H H 1 7.868 0.027 . 1 . . . . 9 ALA H . 17124 1 89 . 1 1 9 9 ALA HA H 1 3.926 0.027 . 1 . . . . 9 ALA HA . 17124 1 90 . 1 1 9 9 ALA HB1 H 1 1.281 0.027 . 1 . . . . 9 ALA QB . 17124 1 91 . 1 1 9 9 ALA HB2 H 1 1.281 0.027 . 1 . . . . 9 ALA QB . 17124 1 92 . 1 1 9 9 ALA HB3 H 1 1.281 0.027 . 1 . . . . 9 ALA QB . 17124 1 93 . 1 1 9 9 ALA CA C 13 54.710 0.15 . 1 . . . . 9 ALA CA . 17124 1 94 . 1 1 9 9 ALA CB C 13 18.130 0.15 . 1 . . . . 9 ALA CB . 17124 1 95 . 1 1 9 9 ALA N N 15 117.979 0.20 . 1 . . . . 9 ALA N . 17124 1 96 . 1 1 10 10 ALA H H 1 7.081 0.027 . 1 . . . . 10 ALA H . 17124 1 97 . 1 1 10 10 ALA HA H 1 3.932 0.027 . 1 . . . . 10 ALA HA . 17124 1 98 . 1 1 10 10 ALA HB1 H 1 1.115 0.027 . 1 . . . . 10 ALA QB . 17124 1 99 . 1 1 10 10 ALA HB2 H 1 1.115 0.027 . 1 . . . . 10 ALA QB . 17124 1 100 . 1 1 10 10 ALA HB3 H 1 1.115 0.027 . 1 . . . . 10 ALA QB . 17124 1 101 . 1 1 10 10 ALA C C 13 179.482 0.15 . 1 . . . . 10 ALA C . 17124 1 102 . 1 1 10 10 ALA CA C 13 54.685 0.15 . 1 . . . . 10 ALA CA . 17124 1 103 . 1 1 10 10 ALA CB C 13 17.083 0.15 . 1 . . . . 10 ALA CB . 17124 1 104 . 1 1 10 10 ALA N N 15 119.876 0.20 . 1 . . . . 10 ALA N . 17124 1 105 . 1 1 11 11 PHE H H 1 6.855 0.027 . 1 . . . . 11 PHE H . 17124 1 106 . 1 1 11 11 PHE HA H 1 3.768 0.027 . 1 . . . . 11 PHE HA . 17124 1 107 . 1 1 11 11 PHE HB2 H 1 2.401 0.027 . 2 . . . . 11 PHE HB2 . 17124 1 108 . 1 1 11 11 PHE HB3 H 1 2.486 0.027 . 2 . . . . 11 PHE HB3 . 17124 1 109 . 1 1 11 11 PHE HD1 H 1 6.299 0.027 . 3 . . . . 11 PHE QD . 17124 1 110 . 1 1 11 11 PHE HD2 H 1 6.299 0.027 . 3 . . . . 11 PHE QD . 17124 1 111 . 1 1 11 11 PHE HE1 H 1 5.935 0.027 . 3 . . . . 11 PHE QE . 17124 1 112 . 1 1 11 11 PHE HE2 H 1 5.935 0.027 . 3 . . . . 11 PHE QE . 17124 1 113 . 1 1 11 11 PHE C C 13 177.464 0.15 . 1 . . . . 11 PHE C . 17124 1 114 . 1 1 11 11 PHE CA C 13 63.090 0.15 . 1 . . . . 11 PHE CA . 17124 1 115 . 1 1 11 11 PHE CB C 13 40.101 0.15 . 1 . . . . 11 PHE CB . 17124 1 116 . 1 1 11 11 PHE CD1 C 13 131.387 0.15 . 3 . . . . 11 PHE CD1 . 17124 1 117 . 1 1 11 11 PHE CD2 C 13 131.350 0.15 . 3 . . . . 11 PHE CD2 . 17124 1 118 . 1 1 11 11 PHE CE1 C 13 130.038 0.15 . 3 . . . . 11 PHE CE1 . 17124 1 119 . 1 1 11 11 PHE CE2 C 13 130.040 0.15 . 3 . . . . 11 PHE CE2 . 17124 1 120 . 1 1 11 11 PHE N N 15 114.672 0.20 . 1 . . . . 11 PHE N . 17124 1 121 . 1 1 12 12 GLU H H 1 8.983 0.027 . 1 . . . . 12 GLU H . 17124 1 122 . 1 1 12 12 GLU HA H 1 3.894 0.027 . 1 . . . . 12 GLU HA . 17124 1 123 . 1 1 12 12 GLU HB2 H 1 1.504 0.027 . 2 . . . . 12 GLU HB2 . 17124 1 124 . 1 1 12 12 GLU HB3 H 1 1.125 0.027 . 2 . . . . 12 GLU HB3 . 17124 1 125 . 1 1 12 12 GLU HG2 H 1 1.591 0.027 . 2 . . . . 12 GLU HG2 . 17124 1 126 . 1 1 12 12 GLU HG3 H 1 1.509 0.027 . 2 . . . . 12 GLU HG3 . 17124 1 127 . 1 1 12 12 GLU C C 13 179.358 0.15 . 1 . . . . 12 GLU C . 17124 1 128 . 1 1 12 12 GLU CA C 13 59.685 0.15 . 1 . . . . 12 GLU CA . 17124 1 129 . 1 1 12 12 GLU CB C 13 29.059 0.15 . 1 . . . . 12 GLU CB . 17124 1 130 . 1 1 12 12 GLU CG C 13 35.044 0.15 . 1 . . . . 12 GLU CG . 17124 1 131 . 1 1 12 12 GLU N N 15 118.995 0.20 . 1 . . . . 12 GLU N . 17124 1 132 . 1 1 13 13 LYS H H 1 7.966 0.027 . 1 . . . . 13 LYS H . 17124 1 133 . 1 1 13 13 LYS HA H 1 3.988 0.027 . 1 . . . . 13 LYS HA . 17124 1 134 . 1 1 13 13 LYS HB2 H 1 1.839 0.027 . 2 . . . . 13 LYS HB2 . 17124 1 135 . 1 1 13 13 LYS HB3 H 1 2.045 0.027 . 2 . . . . 13 LYS HB3 . 17124 1 136 . 1 1 13 13 LYS HD2 H 1 1.684 0.027 . 2 . . . . 13 LYS HD2 . 17124 1 137 . 1 1 13 13 LYS HD3 H 1 1.568 0.027 . 2 . . . . 13 LYS HD3 . 17124 1 138 . 1 1 13 13 LYS HE2 H 1 2.887 0.027 . 2 . . . . 13 LYS QE . 17124 1 139 . 1 1 13 13 LYS HE3 H 1 2.887 0.027 . 2 . . . . 13 LYS QE . 17124 1 140 . 1 1 13 13 LYS HG2 H 1 1.389 0.027 . 2 . . . . 13 LYS HG2 . 17124 1 141 . 1 1 13 13 LYS HG3 H 1 1.294 0.027 . 2 . . . . 13 LYS HG3 . 17124 1 142 . 1 1 13 13 LYS C C 13 177.330 0.15 . 1 . . . . 13 LYS C . 17124 1 143 . 1 1 13 13 LYS CA C 13 59.252 0.15 . 1 . . . . 13 LYS CA . 17124 1 144 . 1 1 13 13 LYS CB C 13 31.827 0.15 . 1 . . . . 13 LYS CB . 17124 1 145 . 1 1 13 13 LYS CD C 13 28.653 0.15 . 1 . . . . 13 LYS CD . 17124 1 146 . 1 1 13 13 LYS CE C 13 42.299 0.15 . 1 . . . . 13 LYS CE . 17124 1 147 . 1 1 13 13 LYS CG C 13 24.724 0.15 . 1 . . . . 13 LYS CG . 17124 1 148 . 1 1 13 13 LYS N N 15 120.329 0.20 . 1 . . . . 13 LYS N . 17124 1 149 . 1 1 14 14 ARG H H 1 7.004 0.027 . 1 . . . . 14 ARG H . 17124 1 150 . 1 1 14 14 ARG HA H 1 4.082 0.027 . 1 . . . . 14 ARG HA . 17124 1 151 . 1 1 14 14 ARG HB2 H 1 1.728 0.027 . 2 . . . . 14 ARG QB . 17124 1 152 . 1 1 14 14 ARG HB3 H 1 1.728 0.027 . 2 . . . . 14 ARG QB . 17124 1 153 . 1 1 14 14 ARG HD2 H 1 2.980 0.027 . 2 . . . . 14 ARG HD2 . 17124 1 154 . 1 1 14 14 ARG HD3 H 1 2.762 0.027 . 2 . . . . 14 ARG HD3 . 17124 1 155 . 1 1 14 14 ARG HG2 H 1 1.507 0.027 . 2 . . . . 14 ARG HG2 . 17124 1 156 . 1 1 14 14 ARG HG3 H 1 1.032 0.027 . 2 . . . . 14 ARG HG3 . 17124 1 157 . 1 1 14 14 ARG C C 13 179.463 0.15 . 1 . . . . 14 ARG C . 17124 1 158 . 1 1 14 14 ARG CA C 13 59.500 0.15 . 1 . . . . 14 ARG CA . 17124 1 159 . 1 1 14 14 ARG CB C 13 30.540 0.15 . 1 . . . . 14 ARG CB . 17124 1 160 . 1 1 14 14 ARG CD C 13 43.571 0.15 . 1 . . . . 14 ARG CD . 17124 1 161 . 1 1 14 14 ARG CG C 13 28.232 0.15 . 1 . . . . 14 ARG CG . 17124 1 162 . 1 1 14 14 ARG N N 15 116.858 0.20 . 1 . . . . 14 ARG N . 17124 1 163 . 1 1 15 15 LEU H H 1 8.838 0.027 . 1 . . . . 15 LEU H . 17124 1 164 . 1 1 15 15 LEU HA H 1 4.474 0.027 . 1 . . . . 15 LEU HA . 17124 1 165 . 1 1 15 15 LEU HB2 H 1 1.962 0.027 . 2 . . . . 15 LEU HB2 . 17124 1 166 . 1 1 15 15 LEU HB3 H 1 2.373 0.027 . 2 . . . . 15 LEU HB3 . 17124 1 167 . 1 1 15 15 LEU HD11 H 1 1.049 0.027 . 1 . . . . 15 LEU QD1 . 17124 1 168 . 1 1 15 15 LEU HD12 H 1 1.049 0.027 . 1 . . . . 15 LEU QD1 . 17124 1 169 . 1 1 15 15 LEU HD13 H 1 1.049 0.027 . 1 . . . . 15 LEU QD1 . 17124 1 170 . 1 1 15 15 LEU HD21 H 1 1.161 0.027 . 1 . . . . 15 LEU QD2 . 17124 1 171 . 1 1 15 15 LEU HD22 H 1 1.161 0.027 . 1 . . . . 15 LEU QD2 . 17124 1 172 . 1 1 15 15 LEU HD23 H 1 1.161 0.027 . 1 . . . . 15 LEU QD2 . 17124 1 173 . 1 1 15 15 LEU HG H 1 2.053 0.027 . 1 . . . . 15 LEU HG . 17124 1 174 . 1 1 15 15 LEU C C 13 178.728 0.15 . 1 . . . . 15 LEU C . 17124 1 175 . 1 1 15 15 LEU CA C 13 58.177 0.15 . 1 . . . . 15 LEU CA . 17124 1 176 . 1 1 15 15 LEU CB C 13 43.477 0.15 . 1 . . . . 15 LEU CB . 17124 1 177 . 1 1 15 15 LEU CD1 C 13 27.304 0.15 . 2 . . . . 15 LEU CD1 . 17124 1 178 . 1 1 15 15 LEU CD2 C 13 25.945 0.15 . 2 . . . . 15 LEU CD2 . 17124 1 179 . 1 1 15 15 LEU CG C 13 27.108 0.15 . 1 . . . . 15 LEU CG . 17124 1 180 . 1 1 15 15 LEU N N 15 117.021 0.20 . 1 . . . . 15 LEU N . 17124 1 181 . 1 1 16 16 SER H H 1 8.799 0.027 . 1 . . . . 16 SER H . 17124 1 182 . 1 1 16 16 SER HA H 1 4.334 0.027 . 1 . . . . 16 SER HA . 17124 1 183 . 1 1 16 16 SER HB2 H 1 4.184 0.027 . 2 . . . . 16 SER HB2 . 17124 1 184 . 1 1 16 16 SER HB3 H 1 4.088 0.027 . 2 . . . . 16 SER HB3 . 17124 1 185 . 1 1 16 16 SER C C 13 176.896 0.15 . 1 . . . . 16 SER C . 17124 1 186 . 1 1 16 16 SER CA C 13 62.424 0.15 . 1 . . . . 16 SER CA . 17124 1 187 . 1 1 16 16 SER CB C 13 63.006 0.15 . 1 . . . . 16 SER CB . 17124 1 188 . 1 1 16 16 SER N N 15 114.153 0.20 . 1 . . . . 16 SER N . 17124 1 189 . 1 1 17 17 ASP H H 1 8.238 0.027 . 1 . . . . 17 ASP H . 17124 1 190 . 1 1 17 17 ASP HA H 1 4.347 0.027 . 1 . . . . 17 ASP HA . 17124 1 191 . 1 1 17 17 ASP HB2 H 1 2.901 0.027 . 2 . . . . 17 ASP HB2 . 17124 1 192 . 1 1 17 17 ASP HB3 H 1 2.601 0.027 . 2 . . . . 17 ASP HB3 . 17124 1 193 . 1 1 17 17 ASP C C 13 178.793 0.15 . 1 . . . . 17 ASP C . 17124 1 194 . 1 1 17 17 ASP CA C 13 57.365 0.15 . 1 . . . . 17 ASP CA . 17124 1 195 . 1 1 17 17 ASP CB C 13 39.846 0.15 . 1 . . . . 17 ASP CB . 17124 1 196 . 1 1 17 17 ASP N N 15 120.574 0.20 . 1 . . . . 17 ASP N . 17124 1 197 . 1 1 18 18 TRP H H 1 7.221 0.027 . 1 . . . . 18 TRP H . 17124 1 198 . 1 1 18 18 TRP HA H 1 4.288 0.027 . 1 . . . . 18 TRP HA . 17124 1 199 . 1 1 18 18 TRP HB2 H 1 3.470 0.027 . 2 . . . . 18 TRP HB2 . 17124 1 200 . 1 1 18 18 TRP HB3 H 1 3.297 0.027 . 2 . . . . 18 TRP HB3 . 17124 1 201 . 1 1 18 18 TRP HD1 H 1 7.247 0.027 . 1 . . . . 18 TRP HD1 . 17124 1 202 . 1 1 18 18 TRP HE1 H 1 10.372 0.027 . 1 . . . . 18 TRP HE1 . 17124 1 203 . 1 1 18 18 TRP HE3 H 1 7.954 0.027 . 1 . . . . 18 TRP HE3 . 17124 1 204 . 1 1 18 18 TRP HH2 H 1 6.784 0.027 . 1 . . . . 18 TRP HH2 . 17124 1 205 . 1 1 18 18 TRP HZ2 H 1 7.408 0.027 . 1 . . . . 18 TRP HZ2 . 17124 1 206 . 1 1 18 18 TRP HZ3 H 1 6.709 0.027 . 1 . . . . 18 TRP HZ3 . 17124 1 207 . 1 1 18 18 TRP C C 13 177.755 0.15 . 1 . . . . 18 TRP C . 17124 1 208 . 1 1 18 18 TRP CA C 13 60.388 0.15 . 1 . . . . 18 TRP CA . 17124 1 209 . 1 1 18 18 TRP CB C 13 29.225 0.15 . 1 . . . . 18 TRP CB . 17124 1 210 . 1 1 18 18 TRP CD1 C 13 127.633 0.15 . 1 . . . . 18 TRP CD1 . 17124 1 211 . 1 1 18 18 TRP CE3 C 13 121.211 0.15 . 1 . . . . 18 TRP CE3 . 17124 1 212 . 1 1 18 18 TRP CH2 C 13 122.933 0.15 . 1 . . . . 18 TRP CH2 . 17124 1 213 . 1 1 18 18 TRP CZ2 C 13 113.395 0.15 . 1 . . . . 18 TRP CZ2 . 17124 1 214 . 1 1 18 18 TRP CZ3 C 13 120.310 0.15 . 1 . . . . 18 TRP CZ3 . 17124 1 215 . 1 1 18 18 TRP N N 15 120.452 0.20 . 1 . . . . 18 TRP N . 17124 1 216 . 1 1 18 18 TRP NE1 N 15 129.962 0.20 . 1 . . . . 18 TRP NE1 . 17124 1 217 . 1 1 19 19 ALA H H 1 8.851 0.027 . 1 . . . . 19 ALA H . 17124 1 218 . 1 1 19 19 ALA HA H 1 2.810 0.027 . 1 . . . . 19 ALA HA . 17124 1 219 . 1 1 19 19 ALA HB1 H 1 1.606 0.027 . 1 . . . . 19 ALA QB . 17124 1 220 . 1 1 19 19 ALA HB2 H 1 1.606 0.027 . 1 . . . . 19 ALA QB . 17124 1 221 . 1 1 19 19 ALA HB3 H 1 1.606 0.027 . 1 . . . . 19 ALA QB . 17124 1 222 . 1 1 19 19 ALA C C 13 179.024 0.15 . 1 . . . . 19 ALA C . 17124 1 223 . 1 1 19 19 ALA CA C 13 55.379 0.15 . 1 . . . . 19 ALA CA . 17124 1 224 . 1 1 19 19 ALA CB C 13 18.211 0.15 . 1 . . . . 19 ALA CB . 17124 1 225 . 1 1 19 19 ALA N N 15 122.537 0.20 . 1 . . . . 19 ALA N . 17124 1 226 . 1 1 20 20 LYS H H 1 7.747 0.027 . 1 . . . . 20 LYS H . 17124 1 227 . 1 1 20 20 LYS HA H 1 4.148 0.027 . 1 . . . . 20 LYS HA . 17124 1 228 . 1 1 20 20 LYS HB2 H 1 1.794 0.027 . 2 . . . . 20 LYS HB2 . 17124 1 229 . 1 1 20 20 LYS HB3 H 1 1.897 0.027 . 2 . . . . 20 LYS HB3 . 17124 1 230 . 1 1 20 20 LYS HD2 H 1 1.646 0.027 . 2 . . . . 20 LYS QD . 17124 1 231 . 1 1 20 20 LYS HD3 H 1 1.646 0.027 . 2 . . . . 20 LYS QD . 17124 1 232 . 1 1 20 20 LYS HE2 H 1 2.957 0.027 . 2 . . . . 20 LYS QE . 17124 1 233 . 1 1 20 20 LYS HE3 H 1 2.957 0.027 . 2 . . . . 20 LYS QE . 17124 1 234 . 1 1 20 20 LYS HG2 H 1 1.574 0.027 . 2 . . . . 20 LYS HG2 . 17124 1 235 . 1 1 20 20 LYS HG3 H 1 1.486 0.027 . 2 . . . . 20 LYS HG3 . 17124 1 236 . 1 1 20 20 LYS C C 13 177.273 0.15 . 1 . . . . 20 LYS C . 17124 1 237 . 1 1 20 20 LYS CA C 13 57.365 0.15 . 1 . . . . 20 LYS CA . 17124 1 238 . 1 1 20 20 LYS CB C 13 32.712 0.15 . 1 . . . . 20 LYS CB . 17124 1 239 . 1 1 20 20 LYS CD C 13 29.545 0.15 . 1 . . . . 20 LYS CD . 17124 1 240 . 1 1 20 20 LYS CE C 13 42.091 0.15 . 1 . . . . 20 LYS CE . 17124 1 241 . 1 1 20 20 LYS CG C 13 24.737 0.15 . 1 . . . . 20 LYS CG . 17124 1 242 . 1 1 20 20 LYS N N 15 112.001 0.20 . 1 . . . . 20 LYS N . 17124 1 243 . 1 1 21 21 ALA H H 1 6.962 0.027 . 1 . . . . 21 ALA H . 17124 1 244 . 1 1 21 21 ALA HA H 1 4.309 0.027 . 1 . . . . 21 ALA HA . 17124 1 245 . 1 1 21 21 ALA HB1 H 1 1.371 0.027 . 1 . . . . 21 ALA QB . 17124 1 246 . 1 1 21 21 ALA HB2 H 1 1.371 0.027 . 1 . . . . 21 ALA QB . 17124 1 247 . 1 1 21 21 ALA HB3 H 1 1.371 0.027 . 1 . . . . 21 ALA QB . 17124 1 248 . 1 1 21 21 ALA C C 13 176.712 0.15 . 1 . . . . 21 ALA C . 17124 1 249 . 1 1 21 21 ALA CA C 13 51.716 0.15 . 1 . . . . 21 ALA CA . 17124 1 250 . 1 1 21 21 ALA CB C 13 19.505 0.15 . 1 . . . . 21 ALA CB . 17124 1 251 . 1 1 21 21 ALA N N 15 120.870 0.20 . 1 . . . . 21 ALA N . 17124 1 252 . 1 1 22 22 ARG H H 1 6.722 0.027 . 1 . . . . 22 ARG H . 17124 1 253 . 1 1 22 22 ARG HA H 1 3.913 0.027 . 1 . . . . 22 ARG HA . 17124 1 254 . 1 1 22 22 ARG HB2 H 1 1.234 0.027 . 2 . . . . 22 ARG HB2 . 17124 1 255 . 1 1 22 22 ARG HB3 H 1 1.177 0.027 . 2 . . . . 22 ARG HB3 . 17124 1 256 . 1 1 22 22 ARG HD2 H 1 2.457 0.027 . 2 . . . . 22 ARG HD2 . 17124 1 257 . 1 1 22 22 ARG HD3 H 1 1.951 0.027 . 2 . . . . 22 ARG HD3 . 17124 1 258 . 1 1 22 22 ARG HG2 H 1 1.179 0.027 . 2 . . . . 22 ARG QG . 17124 1 259 . 1 1 22 22 ARG HG3 H 1 1.179 0.027 . 2 . . . . 22 ARG QG . 17124 1 260 . 1 1 22 22 ARG C C 13 173.916 0.15 . 1 . . . . 22 ARG C . 17124 1 261 . 1 1 22 22 ARG CA C 13 55.524 0.15 . 1 . . . . 22 ARG CA . 17124 1 262 . 1 1 22 22 ARG CB C 13 30.803 0.15 . 1 . . . . 22 ARG CB . 17124 1 263 . 1 1 22 22 ARG CD C 13 43.214 0.15 . 1 . . . . 22 ARG CD . 17124 1 264 . 1 1 22 22 ARG CG C 13 27.125 0.15 . 1 . . . . 22 ARG CG . 17124 1 265 . 1 1 22 22 ARG N N 15 121.054 0.20 . 1 . . . . 22 ARG N . 17124 1 266 . 1 1 23 23 THR H H 1 8.067 0.027 . 1 . . . . 23 THR H . 17124 1 267 . 1 1 23 23 THR HA H 1 4.547 0.027 . 1 . . . . 23 THR HA . 17124 1 268 . 1 1 23 23 THR HB H 1 3.896 0.027 . 1 . . . . 23 THR HB . 17124 1 269 . 1 1 23 23 THR HG21 H 1 1.050 0.027 . 1 . . . . 23 THR QG2 . 17124 1 270 . 1 1 23 23 THR HG22 H 1 1.050 0.027 . 1 . . . . 23 THR QG2 . 17124 1 271 . 1 1 23 23 THR HG23 H 1 1.050 0.027 . 1 . . . . 23 THR QG2 . 17124 1 272 . 1 1 23 23 THR CA C 13 58.011 0.15 . 1 . . . . 23 THR CA . 17124 1 273 . 1 1 23 23 THR CB C 13 70.562 0.15 . 1 . . . . 23 THR CB . 17124 1 274 . 1 1 23 23 THR CG2 C 13 20.591 0.15 . 1 . . . . 23 THR CG2 . 17124 1 275 . 1 1 23 23 THR N N 15 115.637 0.20 . 1 . . . . 23 THR N . 17124 1 276 . 1 1 24 24 PRO HA H 1 4.339 0.027 . 1 . . . . 24 PRO HA . 17124 1 277 . 1 1 24 24 PRO HB2 H 1 2.318 0.027 . 2 . . . . 24 PRO HB2 . 17124 1 278 . 1 1 24 24 PRO HB3 H 1 1.990 0.027 . 2 . . . . 24 PRO HB3 . 17124 1 279 . 1 1 24 24 PRO HD2 H 1 3.494 0.027 . 2 . . . . 24 PRO HD2 . 17124 1 280 . 1 1 24 24 PRO HD3 H 1 3.391 0.027 . 2 . . . . 24 PRO HD3 . 17124 1 281 . 1 1 24 24 PRO HG2 H 1 1.896 0.027 . 2 . . . . 24 PRO HG2 . 17124 1 282 . 1 1 24 24 PRO HG3 H 1 1.669 0.027 . 2 . . . . 24 PRO HG3 . 17124 1 283 . 1 1 24 24 PRO CA C 13 63.255 0.15 . 1 . . . . 24 PRO CA . 17124 1 284 . 1 1 24 24 PRO CB C 13 34.529 0.15 . 1 . . . . 24 PRO CB . 17124 1 285 . 1 1 24 24 PRO CD C 13 49.743 0.15 . 1 . . . . 24 PRO CD . 17124 1 286 . 1 1 24 24 PRO CG C 13 27.147 0.15 . 1 . . . . 24 PRO CG . 17124 1 287 . 1 1 25 25 ALA H H 1 8.183 0.027 . 1 . . . . 25 ALA H . 17124 1 288 . 1 1 25 25 ALA HA H 1 4.057 0.027 . 1 . . . . 25 ALA HA . 17124 1 289 . 1 1 25 25 ALA HB1 H 1 1.291 0.027 . 1 . . . . 25 ALA QB . 17124 1 290 . 1 1 25 25 ALA HB2 H 1 1.291 0.027 . 1 . . . . 25 ALA QB . 17124 1 291 . 1 1 25 25 ALA HB3 H 1 1.291 0.027 . 1 . . . . 25 ALA QB . 17124 1 292 . 1 1 25 25 ALA CA C 13 52.639 0.15 . 1 . . . . 25 ALA CA . 17124 1 293 . 1 1 25 25 ALA CB C 13 18.870 0.15 . 1 . . . . 25 ALA CB . 17124 1 294 . 1 1 25 25 ALA N N 15 123.401 0.20 . 1 . . . . 25 ALA N . 17124 1 295 . 1 1 26 26 LEU H H 1 7.439 0.027 . 1 . . . . 26 LEU H . 17124 1 296 . 1 1 26 26 LEU HA H 1 4.943 0.027 . 1 . . . . 26 LEU HA . 17124 1 297 . 1 1 26 26 LEU HB2 H 1 1.154 0.027 . 2 . . . . 26 LEU HB2 . 17124 1 298 . 1 1 26 26 LEU HB3 H 1 1.380 0.027 . 2 . . . . 26 LEU HB3 . 17124 1 299 . 1 1 26 26 LEU HD11 H 1 0.698 0.027 . 2 . . . . 26 LEU QD1 . 17124 1 300 . 1 1 26 26 LEU HD12 H 1 0.698 0.027 . 2 . . . . 26 LEU QD1 . 17124 1 301 . 1 1 26 26 LEU HD13 H 1 0.698 0.027 . 2 . . . . 26 LEU QD1 . 17124 1 302 . 1 1 26 26 LEU HD21 H 1 0.707 0.027 . 2 . . . . 26 LEU QD2 . 17124 1 303 . 1 1 26 26 LEU HD22 H 1 0.707 0.027 . 2 . . . . 26 LEU QD2 . 17124 1 304 . 1 1 26 26 LEU HD23 H 1 0.707 0.027 . 2 . . . . 26 LEU QD2 . 17124 1 305 . 1 1 26 26 LEU HG H 1 1.475 0.027 . 1 . . . . 26 LEU HG . 17124 1 306 . 1 1 26 26 LEU CA C 13 50.871 0.15 . 1 . . . . 26 LEU CA . 17124 1 307 . 1 1 26 26 LEU CB C 13 44.331 0.15 . 1 . . . . 26 LEU CB . 17124 1 308 . 1 1 26 26 LEU CD1 C 13 24.256 0.15 . 2 . . . . 26 LEU CD1 . 17124 1 309 . 1 1 26 26 LEU CD2 C 13 26.487 0.15 . 2 . . . . 26 LEU CD2 . 17124 1 310 . 1 1 26 26 LEU CG C 13 26.705 0.15 . 1 . . . . 26 LEU CG . 17124 1 311 . 1 1 26 26 LEU N N 15 121.816 0.20 . 1 . . . . 26 LEU N . 17124 1 312 . 1 1 27 27 PRO HA H 1 4.500 0.027 . 1 . . . . 27 PRO HA . 17124 1 313 . 1 1 27 27 PRO HB2 H 1 1.913 0.027 . 2 . . . . 27 PRO HB2 . 17124 1 314 . 1 1 27 27 PRO HB3 H 1 2.521 0.027 . 2 . . . . 27 PRO HB3 . 17124 1 315 . 1 1 27 27 PRO HD2 H 1 3.585 0.027 . 2 . . . . 27 PRO HD2 . 17124 1 316 . 1 1 27 27 PRO HD3 H 1 4.026 0.027 . 2 . . . . 27 PRO HD3 . 17124 1 317 . 1 1 27 27 PRO HG2 H 1 1.903 0.027 . 2 . . . . 27 PRO HG2 . 17124 1 318 . 1 1 27 27 PRO HG3 H 1 2.045 0.027 . 2 . . . . 27 PRO HG3 . 17124 1 319 . 1 1 27 27 PRO CA C 13 62.442 0.15 . 1 . . . . 27 PRO CA . 17124 1 320 . 1 1 27 27 PRO CB C 13 32.477 0.15 . 1 . . . . 27 PRO CB . 17124 1 321 . 1 1 27 27 PRO CD C 13 50.835 0.15 . 1 . . . . 27 PRO CD . 17124 1 322 . 1 1 27 27 PRO CG C 13 27.589 0.15 . 1 . . . . 27 PRO CG . 17124 1 323 . 1 1 28 28 VAL H H 1 8.058 0.027 . 1 . . . . 28 VAL H . 17124 1 324 . 1 1 28 28 VAL HA H 1 4.519 0.027 . 1 . . . . 28 VAL HA . 17124 1 325 . 1 1 28 28 VAL HB H 1 1.867 0.027 . 1 . . . . 28 VAL HB . 17124 1 326 . 1 1 28 28 VAL HG11 H 1 0.816 0.027 . 1 . . . . 28 VAL QG1 . 17124 1 327 . 1 1 28 28 VAL HG12 H 1 0.816 0.027 . 1 . . . . 28 VAL QG1 . 17124 1 328 . 1 1 28 28 VAL HG13 H 1 0.816 0.027 . 1 . . . . 28 VAL QG1 . 17124 1 329 . 1 1 28 28 VAL HG21 H 1 0.259 0.027 . 1 . . . . 28 VAL QG2 . 17124 1 330 . 1 1 28 28 VAL HG22 H 1 0.259 0.027 . 1 . . . . 28 VAL QG2 . 17124 1 331 . 1 1 28 28 VAL HG23 H 1 0.259 0.027 . 1 . . . . 28 VAL QG2 . 17124 1 332 . 1 1 28 28 VAL CA C 13 60.690 0.15 . 1 . . . . 28 VAL CA . 17124 1 333 . 1 1 28 28 VAL CB C 13 34.712 0.15 . 1 . . . . 28 VAL CB . 17124 1 334 . 1 1 28 28 VAL CG1 C 13 21.119 0.15 . 2 . . . . 28 VAL CG1 . 17124 1 335 . 1 1 28 28 VAL CG2 C 13 21.356 0.15 . 2 . . . . 28 VAL CG2 . 17124 1 336 . 1 1 28 28 VAL N N 15 120.319 0.20 . 1 . . . . 28 VAL N . 17124 1 337 . 1 1 29 29 ALA H H 1 8.761 0.027 . 1 . . . . 29 ALA H . 17124 1 338 . 1 1 29 29 ALA HA H 1 4.199 0.027 . 1 . . . . 29 ALA HA . 17124 1 339 . 1 1 29 29 ALA HB1 H 1 0.371 0.027 . 1 . . . . 29 ALA QB . 17124 1 340 . 1 1 29 29 ALA HB2 H 1 0.371 0.027 . 1 . . . . 29 ALA QB . 17124 1 341 . 1 1 29 29 ALA HB3 H 1 0.371 0.027 . 1 . . . . 29 ALA QB . 17124 1 342 . 1 1 29 29 ALA CA C 13 50.007 0.15 . 1 . . . . 29 ALA CA . 17124 1 343 . 1 1 29 29 ALA CB C 13 19.342 0.15 . 1 . . . . 29 ALA CB . 17124 1 344 . 1 1 29 29 ALA N N 15 130.481 0.20 . 1 . . . . 29 ALA N . 17124 1 345 . 1 1 30 30 TRP H H 1 8.543 0.027 . 1 . . . . 30 TRP H . 17124 1 346 . 1 1 30 30 TRP HA H 1 4.607 0.027 . 1 . . . . 30 TRP HA . 17124 1 347 . 1 1 30 30 TRP HB2 H 1 3.269 0.027 . 2 . . . . 30 TRP HB2 . 17124 1 348 . 1 1 30 30 TRP HB3 H 1 2.888 0.027 . 2 . . . . 30 TRP HB3 . 17124 1 349 . 1 1 30 30 TRP HD1 H 1 7.122 0.027 . 1 . . . . 30 TRP HD1 . 17124 1 350 . 1 1 30 30 TRP HE1 H 1 10.167 0.027 . 1 . . . . 30 TRP HE1 . 17124 1 351 . 1 1 30 30 TRP HE3 H 1 7.636 0.027 . 1 . . . . 30 TRP HE3 . 17124 1 352 . 1 1 30 30 TRP HH2 H 1 6.878 0.027 . 1 . . . . 30 TRP HH2 . 17124 1 353 . 1 1 30 30 TRP HZ2 H 1 7.243 0.027 . 1 . . . . 30 TRP HZ2 . 17124 1 354 . 1 1 30 30 TRP HZ3 H 1 6.873 0.027 . 1 . . . . 30 TRP HZ3 . 17124 1 355 . 1 1 30 30 TRP CA C 13 56.544 0.15 . 1 . . . . 30 TRP CA . 17124 1 356 . 1 1 30 30 TRP CB C 13 30.894 0.15 . 1 . . . . 30 TRP CB . 17124 1 357 . 1 1 30 30 TRP CD1 C 13 127.352 0.15 . 1 . . . . 30 TRP CD1 . 17124 1 358 . 1 1 30 30 TRP CE3 C 13 121.294 0.15 . 1 . . . . 30 TRP CE3 . 17124 1 359 . 1 1 30 30 TRP CH2 C 13 123.268 0.15 . 1 . . . . 30 TRP CH2 . 17124 1 360 . 1 1 30 30 TRP CZ2 C 13 113.678 0.15 . 1 . . . . 30 TRP CZ2 . 17124 1 361 . 1 1 30 30 TRP CZ3 C 13 120.690 0.15 . 1 . . . . 30 TRP CZ3 . 17124 1 362 . 1 1 30 30 TRP N N 15 123.762 0.20 . 1 . . . . 30 TRP N . 17124 1 363 . 1 1 30 30 TRP NE1 N 15 129.292 0.20 . 1 . . . . 30 TRP NE1 . 17124 1 364 . 1 1 31 31 GLN H H 1 8.981 0.027 . 1 . . . . 31 GLN H . 17124 1 365 . 1 1 31 31 GLN HA H 1 3.800 0.027 . 1 . . . . 31 GLN HA . 17124 1 366 . 1 1 31 31 GLN HB2 H 1 2.145 0.027 . 2 . . . . 31 GLN QB . 17124 1 367 . 1 1 31 31 GLN HB3 H 1 2.145 0.027 . 2 . . . . 31 GLN QB . 17124 1 368 . 1 1 31 31 GLN HE21 H 1 7.669 0.027 . 2 . . . . 31 GLN HE21 . 17124 1 369 . 1 1 31 31 GLN HE22 H 1 6.950 0.027 . 2 . . . . 31 GLN HE22 . 17124 1 370 . 1 1 31 31 GLN HG2 H 1 2.392 0.027 . 2 . . . . 31 GLN QG . 17124 1 371 . 1 1 31 31 GLN HG3 H 1 2.392 0.027 . 2 . . . . 31 GLN QG . 17124 1 372 . 1 1 31 31 GLN C C 13 175.364 0.15 . 1 . . . . 31 GLN C . 17124 1 373 . 1 1 31 31 GLN CA C 13 57.235 0.15 . 1 . . . . 31 GLN CA . 17124 1 374 . 1 1 31 31 GLN CB C 13 28.440 0.15 . 1 . . . . 31 GLN CB . 17124 1 375 . 1 1 31 31 GLN CG C 13 34.095 0.15 . 1 . . . . 31 GLN CG . 17124 1 376 . 1 1 31 31 GLN N N 15 122.820 0.20 . 1 . . . . 31 GLN N . 17124 1 377 . 1 1 31 31 GLN NE2 N 15 111.584 0.20 . 1 . . . . 31 GLN NE2 . 17124 1 378 . 1 1 32 32 ASN H H 1 8.700 0.027 . 1 . . . . 32 ASN H . 17124 1 379 . 1 1 32 32 ASN HA H 1 4.693 0.027 . 1 . . . . 32 ASN HA . 17124 1 380 . 1 1 32 32 ASN HB2 H 1 2.927 0.027 . 2 . . . . 32 ASN HB2 . 17124 1 381 . 1 1 32 32 ASN HB3 H 1 2.976 0.027 . 2 . . . . 32 ASN HB3 . 17124 1 382 . 1 1 32 32 ASN HD21 H 1 6.977 0.027 . 2 . . . . 32 ASN HD21 . 17124 1 383 . 1 1 32 32 ASN HD22 H 1 7.659 0.027 . 2 . . . . 32 ASN HD22 . 17124 1 384 . 1 1 32 32 ASN C C 13 175.063 0.15 . 1 . . . . 32 ASN C . 17124 1 385 . 1 1 32 32 ASN CA C 13 53.749 0.15 . 1 . . . . 32 ASN CA . 17124 1 386 . 1 1 32 32 ASN CB C 13 37.968 0.15 . 1 . . . . 32 ASN CB . 17124 1 387 . 1 1 32 32 ASN N N 15 117.077 0.20 . 1 . . . . 32 ASN N . 17124 1 388 . 1 1 32 32 ASN ND2 N 15 113.452 0.20 . 1 . . . . 32 ASN ND2 . 17124 1 389 . 1 1 33 33 THR H H 1 7.708 0.027 . 1 . . . . 33 THR H . 17124 1 390 . 1 1 33 33 THR HA H 1 4.336 0.027 . 1 . . . . 33 THR HA . 17124 1 391 . 1 1 33 33 THR HB H 1 4.187 0.027 . 1 . . . . 33 THR HB . 17124 1 392 . 1 1 33 33 THR HG21 H 1 1.326 0.027 . 1 . . . . 33 THR QG2 . 17124 1 393 . 1 1 33 33 THR HG22 H 1 1.326 0.027 . 1 . . . . 33 THR QG2 . 17124 1 394 . 1 1 33 33 THR HG23 H 1 1.326 0.027 . 1 . . . . 33 THR QG2 . 17124 1 395 . 1 1 33 33 THR C C 13 174.307 0.15 . 1 . . . . 33 THR C . 17124 1 396 . 1 1 33 33 THR CA C 13 62.269 0.15 . 1 . . . . 33 THR CA . 17124 1 397 . 1 1 33 33 THR CB C 13 70.651 0.15 . 1 . . . . 33 THR CB . 17124 1 398 . 1 1 33 33 THR CG2 C 13 21.701 0.15 . 1 . . . . 33 THR CG2 . 17124 1 399 . 1 1 33 33 THR N N 15 113.605 0.20 . 1 . . . . 33 THR N . 17124 1 400 . 1 1 34 34 LYS H H 1 8.634 0.027 . 1 . . . . 34 LYS H . 17124 1 401 . 1 1 34 34 LYS HA H 1 4.244 0.027 . 1 . . . . 34 LYS HA . 17124 1 402 . 1 1 34 34 LYS HB2 H 1 1.754 0.027 . 2 . . . . 34 LYS QB . 17124 1 403 . 1 1 34 34 LYS HB3 H 1 1.754 0.027 . 2 . . . . 34 LYS QB . 17124 1 404 . 1 1 34 34 LYS HD2 H 1 1.622 0.027 . 2 . . . . 34 LYS QD . 17124 1 405 . 1 1 34 34 LYS HD3 H 1 1.622 0.027 . 2 . . . . 34 LYS QD . 17124 1 406 . 1 1 34 34 LYS HE2 H 1 2.921 0.027 . 2 . . . . 34 LYS QE . 17124 1 407 . 1 1 34 34 LYS HE3 H 1 2.921 0.027 . 2 . . . . 34 LYS QE . 17124 1 408 . 1 1 34 34 LYS HG2 H 1 1.430 0.027 . 2 . . . . 34 LYS HG2 . 17124 1 409 . 1 1 34 34 LYS HG3 H 1 1.340 0.027 . 2 . . . . 34 LYS HG3 . 17124 1 410 . 1 1 34 34 LYS C C 13 175.732 0.15 . 1 . . . . 34 LYS C . 17124 1 411 . 1 1 34 34 LYS CA C 13 57.038 0.15 . 1 . . . . 34 LYS CA . 17124 1 412 . 1 1 34 34 LYS CB C 13 31.929 0.15 . 1 . . . . 34 LYS CB . 17124 1 413 . 1 1 34 34 LYS CD C 13 29.069 0.15 . 1 . . . . 34 LYS CD . 17124 1 414 . 1 1 34 34 LYS CE C 13 42.117 0.15 . 1 . . . . 34 LYS CE . 17124 1 415 . 1 1 34 34 LYS CG C 13 24.674 0.15 . 1 . . . . 34 LYS CG . 17124 1 416 . 1 1 34 34 LYS N N 15 125.945 0.20 . 1 . . . . 34 LYS N . 17124 1 417 . 1 1 35 35 PHE H H 1 8.368 0.027 . 1 . . . . 35 PHE H . 17124 1 418 . 1 1 35 35 PHE HA H 1 4.649 0.027 . 1 . . . . 35 PHE HA . 17124 1 419 . 1 1 35 35 PHE HB2 H 1 3.048 0.027 . 2 . . . . 35 PHE HB2 . 17124 1 420 . 1 1 35 35 PHE HB3 H 1 2.640 0.027 . 2 . . . . 35 PHE HB3 . 17124 1 421 . 1 1 35 35 PHE HD1 H 1 6.934 0.027 . 3 . . . . 35 PHE QD . 17124 1 422 . 1 1 35 35 PHE HD2 H 1 6.934 0.027 . 3 . . . . 35 PHE QD . 17124 1 423 . 1 1 35 35 PHE HE1 H 1 6.677 0.027 . 3 . . . . 35 PHE QE . 17124 1 424 . 1 1 35 35 PHE HE2 H 1 6.677 0.027 . 3 . . . . 35 PHE QE . 17124 1 425 . 1 1 35 35 PHE C C 13 173.928 0.15 . 1 . . . . 35 PHE C . 17124 1 426 . 1 1 35 35 PHE CA C 13 57.441 0.15 . 1 . . . . 35 PHE CA . 17124 1 427 . 1 1 35 35 PHE CB C 13 42.224 0.15 . 1 . . . . 35 PHE CB . 17124 1 428 . 1 1 35 35 PHE CD1 C 13 131.543 0.15 . 3 . . . . 35 PHE CD1 . 17124 1 429 . 1 1 35 35 PHE CD2 C 13 131.540 0.15 . 3 . . . . 35 PHE CD2 . 17124 1 430 . 1 1 35 35 PHE CE1 C 13 130.947 0.15 . 3 . . . . 35 PHE CE1 . 17124 1 431 . 1 1 35 35 PHE CE2 C 13 130.950 0.15 . 3 . . . . 35 PHE CE2 . 17124 1 432 . 1 1 35 35 PHE N N 15 126.051 0.20 . 1 . . . . 35 PHE N . 17124 1 433 . 1 1 36 36 THR H H 1 7.864 0.027 . 1 . . . . 36 THR H . 17124 1 434 . 1 1 36 36 THR HA H 1 4.329 0.027 . 1 . . . . 36 THR HA . 17124 1 435 . 1 1 36 36 THR HB H 1 3.604 0.027 . 1 . . . . 36 THR HB . 17124 1 436 . 1 1 36 36 THR HG21 H 1 0.970 0.027 . 1 . . . . 36 THR QG2 . 17124 1 437 . 1 1 36 36 THR HG22 H 1 0.970 0.027 . 1 . . . . 36 THR QG2 . 17124 1 438 . 1 1 36 36 THR HG23 H 1 0.970 0.027 . 1 . . . . 36 THR QG2 . 17124 1 439 . 1 1 36 36 THR CA C 13 58.689 0.15 . 1 . . . . 36 THR CA . 17124 1 440 . 1 1 36 36 THR CB C 13 69.890 0.15 . 1 . . . . 36 THR CB . 17124 1 441 . 1 1 36 36 THR CG2 C 13 20.939 0.15 . 1 . . . . 36 THR CG2 . 17124 1 442 . 1 1 36 36 THR N N 15 125.471 0.20 . 1 . . . . 36 THR N . 17124 1 443 . 1 1 37 37 PRO HB2 H 1 2.304 0.027 . 2 . . . . 37 PRO QB . 17124 1 444 . 1 1 37 37 PRO HB3 H 1 2.304 0.027 . 2 . . . . 37 PRO QB . 17124 1 445 . 1 1 37 37 PRO HD2 H 1 3.458 0.027 . 2 . . . . 37 PRO HD2 . 17124 1 446 . 1 1 37 37 PRO HD3 H 1 3.342 0.027 . 2 . . . . 37 PRO HD3 . 17124 1 447 . 1 1 37 37 PRO HG2 H 1 1.908 0.027 . 2 . . . . 37 PRO HG2 . 17124 1 448 . 1 1 37 37 PRO HG3 H 1 1.699 0.027 . 2 . . . . 37 PRO HG3 . 17124 1 449 . 1 1 37 37 PRO CB C 13 34.221 0.15 . 1 . . . . 37 PRO CB . 17124 1 450 . 1 1 37 37 PRO CD C 13 49.400 0.15 . 1 . . . . 37 PRO CD . 17124 1 451 . 1 1 37 37 PRO CG C 13 24.835 0.15 . 1 . . . . 37 PRO CG . 17124 1 452 . 1 1 38 38 PRO HA H 1 4.293 0.027 . 1 . . . . 38 PRO HA . 17124 1 453 . 1 1 38 38 PRO HB2 H 1 2.165 0.027 . 2 . . . . 38 PRO HB2 . 17124 1 454 . 1 1 38 38 PRO HD2 H 1 3.329 0.027 . 2 . . . . 38 PRO HD2 . 17124 1 455 . 1 1 38 38 PRO HD3 H 1 3.264 0.027 . 2 . . . . 38 PRO HD3 . 17124 1 456 . 1 1 38 38 PRO HG2 H 1 1.837 0.027 . 2 . . . . 38 PRO HG2 . 17124 1 457 . 1 1 38 38 PRO C C 13 176.522 0.15 . 1 . . . . 38 PRO C . 17124 1 458 . 1 1 38 38 PRO CA C 13 61.879 0.15 . 1 . . . . 38 PRO CA . 17124 1 459 . 1 1 38 38 PRO CB C 13 31.780 0.15 . 1 . . . . 38 PRO CB . 17124 1 460 . 1 1 38 38 PRO CD C 13 49.397 0.15 . 1 . . . . 38 PRO CD . 17124 1 461 . 1 1 38 38 PRO CG C 13 27.037 0.15 . 1 . . . . 38 PRO CG . 17124 1 462 . 1 1 39 39 ALA H H 1 8.384 0.027 . 1 . . . . 39 ALA H . 17124 1 463 . 1 1 39 39 ALA HA H 1 4.024 0.027 . 1 . . . . 39 ALA HA . 17124 1 464 . 1 1 39 39 ALA HB1 H 1 1.316 0.027 . 1 . . . . 39 ALA QB . 17124 1 465 . 1 1 39 39 ALA HB2 H 1 1.316 0.027 . 1 . . . . 39 ALA QB . 17124 1 466 . 1 1 39 39 ALA HB3 H 1 1.316 0.027 . 1 . . . . 39 ALA QB . 17124 1 467 . 1 1 39 39 ALA C C 13 177.330 0.15 . 1 . . . . 39 ALA C . 17124 1 468 . 1 1 39 39 ALA CA C 13 53.533 0.15 . 1 . . . . 39 ALA CA . 17124 1 469 . 1 1 39 39 ALA CB C 13 18.621 0.15 . 1 . . . . 39 ALA CB . 17124 1 470 . 1 1 39 39 ALA N N 15 123.843 0.20 . 1 . . . . 39 ALA N . 17124 1 471 . 1 1 40 40 ALA H H 1 7.963 0.027 . 1 . . . . 40 ALA H . 17124 1 472 . 1 1 40 40 ALA HA H 1 4.413 0.027 . 1 . . . . 40 ALA HA . 17124 1 473 . 1 1 40 40 ALA HB1 H 1 1.314 0.027 . 1 . . . . 40 ALA QB . 17124 1 474 . 1 1 40 40 ALA HB2 H 1 1.314 0.027 . 1 . . . . 40 ALA QB . 17124 1 475 . 1 1 40 40 ALA HB3 H 1 1.314 0.027 . 1 . . . . 40 ALA QB . 17124 1 476 . 1 1 40 40 ALA C C 13 177.069 0.15 . 1 . . . . 40 ALA C . 17124 1 477 . 1 1 40 40 ALA CA C 13 51.561 0.15 . 1 . . . . 40 ALA CA . 17124 1 478 . 1 1 40 40 ALA CB C 13 20.339 0.15 . 1 . . . . 40 ALA CB . 17124 1 479 . 1 1 40 40 ALA N N 15 118.737 0.20 . 1 . . . . 40 ALA N . 17124 1 480 . 1 1 41 41 GLY H H 1 8.049 0.027 . 1 . . . . 41 GLY H . 17124 1 481 . 1 1 41 41 GLY HA2 H 1 4.060 0.027 . 2 . . . . 41 GLY HA2 . 17124 1 482 . 1 1 41 41 GLY HA3 H 1 4.022 0.027 . 2 . . . . 41 GLY HA3 . 17124 1 483 . 1 1 41 41 GLY C C 13 172.400 0.15 . 1 . . . . 41 GLY C . 17124 1 484 . 1 1 41 41 GLY CA C 13 44.689 0.15 . 1 . . . . 41 GLY CA . 17124 1 485 . 1 1 41 41 GLY N N 15 106.289 0.20 . 1 . . . . 41 GLY N . 17124 1 486 . 1 1 42 42 VAL H H 1 7.899 0.027 . 1 . . . . 42 VAL H . 17124 1 487 . 1 1 42 42 VAL HA H 1 4.631 0.027 . 1 . . . . 42 VAL HA . 17124 1 488 . 1 1 42 42 VAL HB H 1 1.852 0.027 . 1 . . . . 42 VAL HB . 17124 1 489 . 1 1 42 42 VAL HG11 H 1 0.958 0.027 . 1 . . . . 42 VAL QG1 . 17124 1 490 . 1 1 42 42 VAL HG12 H 1 0.958 0.027 . 1 . . . . 42 VAL QG1 . 17124 1 491 . 1 1 42 42 VAL HG13 H 1 0.958 0.027 . 1 . . . . 42 VAL QG1 . 17124 1 492 . 1 1 42 42 VAL HG21 H 1 0.783 0.027 . 1 . . . . 42 VAL QG2 . 17124 1 493 . 1 1 42 42 VAL HG22 H 1 0.783 0.027 . 1 . . . . 42 VAL QG2 . 17124 1 494 . 1 1 42 42 VAL HG23 H 1 0.783 0.027 . 1 . . . . 42 VAL QG2 . 17124 1 495 . 1 1 42 42 VAL C C 13 175.456 0.15 . 1 . . . . 42 VAL C . 17124 1 496 . 1 1 42 42 VAL CA C 13 61.657 0.15 . 1 . . . . 42 VAL CA . 17124 1 497 . 1 1 42 42 VAL CB C 13 32.916 0.15 . 1 . . . . 42 VAL CB . 17124 1 498 . 1 1 42 42 VAL CG1 C 13 22.571 0.15 . 2 . . . . 42 VAL CG1 . 17124 1 499 . 1 1 42 42 VAL CG2 C 13 21.533 0.15 . 2 . . . . 42 VAL CG2 . 17124 1 500 . 1 1 42 42 VAL N N 15 119.332 0.20 . 1 . . . . 42 VAL N . 17124 1 501 . 1 1 43 43 TYR H H 1 8.412 0.027 . 1 . . . . 43 TYR H . 17124 1 502 . 1 1 43 43 TYR HA H 1 4.867 0.027 . 1 . . . . 43 TYR HA . 17124 1 503 . 1 1 43 43 TYR HB2 H 1 2.944 0.027 . 2 . . . . 43 TYR HB2 . 17124 1 504 . 1 1 43 43 TYR HB3 H 1 3.040 0.027 . 2 . . . . 43 TYR HB3 . 17124 1 505 . 1 1 43 43 TYR HD1 H 1 6.872 0.027 . 3 . . . . 43 TYR QD . 17124 1 506 . 1 1 43 43 TYR HD2 H 1 6.872 0.027 . 3 . . . . 43 TYR QD . 17124 1 507 . 1 1 43 43 TYR HE1 H 1 6.609 0.027 . 3 . . . . 43 TYR QE . 17124 1 508 . 1 1 43 43 TYR HE2 H 1 6.609 0.027 . 3 . . . . 43 TYR QE . 17124 1 509 . 1 1 43 43 TYR C C 13 171.017 0.15 . 1 . . . . 43 TYR C . 17124 1 510 . 1 1 43 43 TYR CA C 13 56.162 0.15 . 1 . . . . 43 TYR CA . 17124 1 511 . 1 1 43 43 TYR CB C 13 40.671 0.15 . 1 . . . . 43 TYR CB . 17124 1 512 . 1 1 43 43 TYR CD1 C 13 134.278 0.15 . 3 . . . . 43 TYR CD1 . 17124 1 513 . 1 1 43 43 TYR CD2 C 13 134.280 0.15 . 3 . . . . 43 TYR CD2 . 17124 1 514 . 1 1 43 43 TYR CE1 C 13 117.799 0.15 . 3 . . . . 43 TYR CE1 . 17124 1 515 . 1 1 43 43 TYR CE2 C 13 117.800 0.15 . 3 . . . . 43 TYR CE2 . 17124 1 516 . 1 1 43 43 TYR N N 15 119.313 0.20 . 1 . . . . 43 TYR N . 17124 1 517 . 1 1 44 44 LEU H H 1 8.455 0.027 . 1 . . . . 44 LEU H . 17124 1 518 . 1 1 44 44 LEU HA H 1 5.420 0.027 . 1 . . . . 44 LEU HA . 17124 1 519 . 1 1 44 44 LEU HB2 H 1 1.760 0.027 . 2 . . . . 44 LEU HB2 . 17124 1 520 . 1 1 44 44 LEU HB3 H 1 1.067 0.027 . 2 . . . . 44 LEU HB3 . 17124 1 521 . 1 1 44 44 LEU HD11 H 1 0.807 0.027 . 1 . . . . 44 LEU QD1 . 17124 1 522 . 1 1 44 44 LEU HD12 H 1 0.807 0.027 . 1 . . . . 44 LEU QD1 . 17124 1 523 . 1 1 44 44 LEU HD13 H 1 0.807 0.027 . 1 . . . . 44 LEU QD1 . 17124 1 524 . 1 1 44 44 LEU HD21 H 1 0.974 0.027 . 1 . . . . 44 LEU QD2 . 17124 1 525 . 1 1 44 44 LEU HD22 H 1 0.974 0.027 . 1 . . . . 44 LEU QD2 . 17124 1 526 . 1 1 44 44 LEU HD23 H 1 0.974 0.027 . 1 . . . . 44 LEU QD2 . 17124 1 527 . 1 1 44 44 LEU HG H 1 1.624 0.027 . 1 . . . . 44 LEU HG . 17124 1 528 . 1 1 44 44 LEU C C 13 176.000 0.15 . 1 . . . . 44 LEU C . 17124 1 529 . 1 1 44 44 LEU CA C 13 52.258 0.15 . 1 . . . . 44 LEU CA . 17124 1 530 . 1 1 44 44 LEU CB C 13 44.334 0.15 . 1 . . . . 44 LEU CB . 17124 1 531 . 1 1 44 44 LEU CD1 C 13 24.910 0.15 . 2 . . . . 44 LEU CD1 . 17124 1 532 . 1 1 44 44 LEU CD2 C 13 25.754 0.15 . 2 . . . . 44 LEU CD2 . 17124 1 533 . 1 1 44 44 LEU CG C 13 27.384 0.15 . 1 . . . . 44 LEU CG . 17124 1 534 . 1 1 44 44 LEU N N 15 116.540 0.20 . 1 . . . . 44 LEU N . 17124 1 535 . 1 1 45 45 ARG H H 1 8.585 0.027 . 1 . . . . 45 ARG H . 17124 1 536 . 1 1 45 45 ARG HA H 1 4.872 0.027 . 1 . . . . 45 ARG HA . 17124 1 537 . 1 1 45 45 ARG HB2 H 1 1.439 0.027 . 2 . . . . 45 ARG HB2 . 17124 1 538 . 1 1 45 45 ARG HB3 H 1 1.574 0.027 . 2 . . . . 45 ARG HB3 . 17124 1 539 . 1 1 45 45 ARG HD2 H 1 3.151 0.027 . 2 . . . . 45 ARG QD . 17124 1 540 . 1 1 45 45 ARG HD3 H 1 3.151 0.027 . 2 . . . . 45 ARG QD . 17124 1 541 . 1 1 45 45 ARG HG2 H 1 1.259 0.027 . 2 . . . . 45 ARG HG2 . 17124 1 542 . 1 1 45 45 ARG HG3 H 1 1.353 0.027 . 2 . . . . 45 ARG HG3 . 17124 1 543 . 1 1 45 45 ARG C C 13 173.994 0.15 . 1 . . . . 45 ARG C . 17124 1 544 . 1 1 45 45 ARG CA C 13 54.626 0.15 . 1 . . . . 45 ARG CA . 17124 1 545 . 1 1 45 45 ARG CB C 13 32.588 0.15 . 1 . . . . 45 ARG CB . 17124 1 546 . 1 1 45 45 ARG CD C 13 43.371 0.15 . 1 . . . . 45 ARG CD . 17124 1 547 . 1 1 45 45 ARG CG C 13 27.781 0.15 . 1 . . . . 45 ARG CG . 17124 1 548 . 1 1 45 45 ARG N N 15 120.583 0.20 . 1 . . . . 45 ARG N . 17124 1 549 . 1 1 46 46 ALA H H 1 7.705 0.027 . 1 . . . . 46 ALA H . 17124 1 550 . 1 1 46 46 ALA HA H 1 4.838 0.027 . 1 . . . . 46 ALA HA . 17124 1 551 . 1 1 46 46 ALA HB1 H 1 0.056 0.027 . 1 . . . . 46 ALA QB . 17124 1 552 . 1 1 46 46 ALA HB2 H 1 0.056 0.027 . 1 . . . . 46 ALA QB . 17124 1 553 . 1 1 46 46 ALA HB3 H 1 0.056 0.027 . 1 . . . . 46 ALA QB . 17124 1 554 . 1 1 46 46 ALA C C 13 174.957 0.15 . 1 . . . . 46 ALA C . 17124 1 555 . 1 1 46 46 ALA CA C 13 50.100 0.15 . 1 . . . . 46 ALA CA . 17124 1 556 . 1 1 46 46 ALA CB C 13 21.290 0.15 . 1 . . . . 46 ALA CB . 17124 1 557 . 1 1 46 46 ALA N N 15 127.507 0.20 . 1 . . . . 46 ALA N . 17124 1 558 . 1 1 47 47 TYR H H 1 8.798 0.027 . 1 . . . . 47 TYR H . 17124 1 559 . 1 1 47 47 TYR HA H 1 4.632 0.027 . 1 . . . . 47 TYR HA . 17124 1 560 . 1 1 47 47 TYR HB2 H 1 2.547 0.027 . 2 . . . . 47 TYR HB2 . 17124 1 561 . 1 1 47 47 TYR HB3 H 1 2.818 0.027 . 2 . . . . 47 TYR HB3 . 17124 1 562 . 1 1 47 47 TYR HD1 H 1 6.768 0.027 . 3 . . . . 47 TYR QD . 17124 1 563 . 1 1 47 47 TYR HD2 H 1 6.768 0.027 . 3 . . . . 47 TYR QD . 17124 1 564 . 1 1 47 47 TYR HE1 H 1 6.478 0.027 . 3 . . . . 47 TYR QE . 17124 1 565 . 1 1 47 47 TYR HE2 H 1 6.478 0.027 . 3 . . . . 47 TYR QE . 17124 1 566 . 1 1 47 47 TYR C C 13 174.330 0.15 . 1 . . . . 47 TYR C . 17124 1 567 . 1 1 47 47 TYR CA C 13 56.883 0.15 . 1 . . . . 47 TYR CA . 17124 1 568 . 1 1 47 47 TYR CB C 13 42.286 0.15 . 1 . . . . 47 TYR CB . 17124 1 569 . 1 1 47 47 TYR CD1 C 13 133.151 0.15 . 3 . . . . 47 TYR CD1 . 17124 1 570 . 1 1 47 47 TYR CD2 C 13 133.155 0.15 . 3 . . . . 47 TYR CD2 . 17124 1 571 . 1 1 47 47 TYR CE1 C 13 117.848 0.15 . 3 . . . . 47 TYR CE1 . 17124 1 572 . 1 1 47 47 TYR CE2 C 13 117.848 0.15 . 3 . . . . 47 TYR CE2 . 17124 1 573 . 1 1 47 47 TYR N N 15 117.713 0.20 . 1 . . . . 47 TYR N . 17124 1 574 . 1 1 48 48 VAL H H 1 8.920 0.027 . 1 . . . . 48 VAL H . 17124 1 575 . 1 1 48 48 VAL HA H 1 4.549 0.027 . 1 . . . . 48 VAL HA . 17124 1 576 . 1 1 48 48 VAL HB H 1 2.193 0.027 . 1 . . . . 48 VAL HB . 17124 1 577 . 1 1 48 48 VAL HG11 H 1 1.077 0.027 . 1 . . . . 48 VAL QG1 . 17124 1 578 . 1 1 48 48 VAL HG12 H 1 1.077 0.027 . 1 . . . . 48 VAL QG1 . 17124 1 579 . 1 1 48 48 VAL HG13 H 1 1.077 0.027 . 1 . . . . 48 VAL QG1 . 17124 1 580 . 1 1 48 48 VAL HG21 H 1 0.870 0.027 . 1 . . . . 48 VAL QG2 . 17124 1 581 . 1 1 48 48 VAL HG22 H 1 0.870 0.027 . 1 . . . . 48 VAL QG2 . 17124 1 582 . 1 1 48 48 VAL HG23 H 1 0.870 0.027 . 1 . . . . 48 VAL QG2 . 17124 1 583 . 1 1 48 48 VAL C C 13 175.620 0.15 . 1 . . . . 48 VAL C . 17124 1 584 . 1 1 48 48 VAL CA C 13 62.110 0.15 . 1 . . . . 48 VAL CA . 17124 1 585 . 1 1 48 48 VAL CB C 13 32.772 0.15 . 1 . . . . 48 VAL CB . 17124 1 586 . 1 1 48 48 VAL CG1 C 13 22.116 0.15 . 2 . . . . 48 VAL CG1 . 17124 1 587 . 1 1 48 48 VAL CG2 C 13 22.247 0.15 . 2 . . . . 48 VAL CG2 . 17124 1 588 . 1 1 48 48 VAL N N 15 122.127 0.20 . 1 . . . . 48 VAL N . 17124 1 589 . 1 1 49 49 MET H H 1 9.084 0.027 . 1 . . . . 49 MET H . 17124 1 590 . 1 1 49 49 MET HA H 1 4.966 0.027 . 1 . . . . 49 MET HA . 17124 1 591 . 1 1 49 49 MET HB2 H 1 2.382 0.027 . 2 . . . . 49 MET HB2 . 17124 1 592 . 1 1 49 49 MET HB3 H 1 2.335 0.027 . 2 . . . . 49 MET HB3 . 17124 1 593 . 1 1 49 49 MET HE1 H 1 1.806 0.027 . 1 . . . . 49 MET QE . 17124 1 594 . 1 1 49 49 MET HE2 H 1 1.806 0.027 . 1 . . . . 49 MET QE . 17124 1 595 . 1 1 49 49 MET HE3 H 1 1.806 0.027 . 1 . . . . 49 MET QE . 17124 1 596 . 1 1 49 49 MET HG2 H 1 1.992 0.027 . 2 . . . . 49 MET HG2 . 17124 1 597 . 1 1 49 49 MET HG3 H 1 2.128 0.027 . 2 . . . . 49 MET HG3 . 17124 1 598 . 1 1 49 49 MET CA C 13 52.762 0.15 . 1 . . . . 49 MET CA . 17124 1 599 . 1 1 49 49 MET CB C 13 31.914 0.15 . 1 . . . . 49 MET CB . 17124 1 600 . 1 1 49 49 MET CE C 13 17.158 0.15 . 1 . . . . 49 MET CE . 17124 1 601 . 1 1 49 49 MET CG C 13 32.892 0.15 . 1 . . . . 49 MET CG . 17124 1 602 . 1 1 49 49 MET N N 15 127.147 0.20 . 1 . . . . 49 MET N . 17124 1 603 . 1 1 50 50 PRO HA H 1 4.551 0.027 . 1 . . . . 50 PRO HA . 17124 1 604 . 1 1 50 50 PRO HB2 H 1 2.365 0.027 . 2 . . . . 50 PRO HB2 . 17124 1 605 . 1 1 50 50 PRO HB3 H 1 2.182 0.027 . 2 . . . . 50 PRO HB3 . 17124 1 606 . 1 1 50 50 PRO HD2 H 1 3.824 0.027 . 2 . . . . 50 PRO HD2 . 17124 1 607 . 1 1 50 50 PRO HD3 H 1 3.774 0.027 . 2 . . . . 50 PRO HD3 . 17124 1 608 . 1 1 50 50 PRO HG2 H 1 1.952 0.027 . 2 . . . . 50 PRO HG2 . 17124 1 609 . 1 1 50 50 PRO HG3 H 1 2.060 0.027 . 2 . . . . 50 PRO HG3 . 17124 1 610 . 1 1 50 50 PRO C C 13 176.453 0.15 . 1 . . . . 50 PRO C . 17124 1 611 . 1 1 50 50 PRO CA C 13 62.880 0.15 . 1 . . . . 50 PRO CA . 17124 1 612 . 1 1 50 50 PRO CB C 13 32.387 0.15 . 1 . . . . 50 PRO CB . 17124 1 613 . 1 1 50 50 PRO CD C 13 50.994 0.15 . 1 . . . . 50 PRO CD . 17124 1 614 . 1 1 50 50 PRO CG C 13 27.311 0.15 . 1 . . . . 50 PRO CG . 17124 1 615 . 1 1 51 51 ALA H H 1 8.516 0.027 . 1 . . . . 51 ALA H . 17124 1 616 . 1 1 51 51 ALA HA H 1 4.324 0.027 . 1 . . . . 51 ALA HA . 17124 1 617 . 1 1 51 51 ALA HB1 H 1 1.230 0.027 . 1 . . . . 51 ALA QB . 17124 1 618 . 1 1 51 51 ALA HB2 H 1 1.230 0.027 . 1 . . . . 51 ALA QB . 17124 1 619 . 1 1 51 51 ALA HB3 H 1 1.230 0.027 . 1 . . . . 51 ALA QB . 17124 1 620 . 1 1 51 51 ALA C C 13 177.206 0.15 . 1 . . . . 51 ALA C . 17124 1 621 . 1 1 51 51 ALA CA C 13 51.807 0.15 . 1 . . . . 51 ALA CA . 17124 1 622 . 1 1 51 51 ALA CB C 13 19.490 0.15 . 1 . . . . 51 ALA CB . 17124 1 623 . 1 1 51 51 ALA N N 15 125.667 0.20 . 1 . . . . 51 ALA N . 17124 1 624 . 1 1 52 52 ALA H H 1 8.364 0.027 . 1 . . . . 52 ALA H . 17124 1 625 . 1 1 52 52 ALA HA H 1 4.410 0.027 . 1 . . . . 52 ALA HA . 17124 1 626 . 1 1 52 52 ALA HB1 H 1 1.335 0.027 . 1 . . . . 52 ALA QB . 17124 1 627 . 1 1 52 52 ALA HB2 H 1 1.335 0.027 . 1 . . . . 52 ALA QB . 17124 1 628 . 1 1 52 52 ALA HB3 H 1 1.335 0.027 . 1 . . . . 52 ALA QB . 17124 1 629 . 1 1 52 52 ALA C C 13 177.518 0.15 . 1 . . . . 52 ALA C . 17124 1 630 . 1 1 52 52 ALA CA C 13 52.129 0.15 . 1 . . . . 52 ALA CA . 17124 1 631 . 1 1 52 52 ALA CB C 13 20.066 0.15 . 1 . . . . 52 ALA CB . 17124 1 632 . 1 1 52 52 ALA N N 15 123.686 0.20 . 1 . . . . 52 ALA N . 17124 1 633 . 1 1 53 53 THR H H 1 8.161 0.027 . 1 . . . . 53 THR H . 17124 1 634 . 1 1 53 53 THR HA H 1 4.309 0.027 . 1 . . . . 53 THR HA . 17124 1 635 . 1 1 53 53 THR HB H 1 3.991 0.027 . 1 . . . . 53 THR HB . 17124 1 636 . 1 1 53 53 THR HG21 H 1 1.024 0.027 . 1 . . . . 53 THR QG2 . 17124 1 637 . 1 1 53 53 THR HG22 H 1 1.024 0.027 . 1 . . . . 53 THR QG2 . 17124 1 638 . 1 1 53 53 THR HG23 H 1 1.024 0.027 . 1 . . . . 53 THR QG2 . 17124 1 639 . 1 1 53 53 THR C C 13 174.417 0.15 . 1 . . . . 53 THR C . 17124 1 640 . 1 1 53 53 THR CA C 13 61.536 0.15 . 1 . . . . 53 THR CA . 17124 1 641 . 1 1 53 53 THR CB C 13 69.882 0.15 . 1 . . . . 53 THR CB . 17124 1 642 . 1 1 53 53 THR CG2 C 13 21.505 0.15 . 1 . . . . 53 THR CG2 . 17124 1 643 . 1 1 53 53 THR N N 15 114.415 0.20 . 1 . . . . 53 THR N . 17124 1 644 . 1 1 54 54 ILE H H 1 8.182 0.027 . 1 . . . . 54 ILE H . 17124 1 645 . 1 1 54 54 ILE HA H 1 4.208 0.027 . 1 . . . . 54 ILE HA . 17124 1 646 . 1 1 54 54 ILE HB H 1 1.770 0.027 . 1 . . . . 54 ILE HB . 17124 1 647 . 1 1 54 54 ILE HD11 H 1 0.699 0.027 . 1 . . . . 54 ILE QD1 . 17124 1 648 . 1 1 54 54 ILE HD12 H 1 0.699 0.027 . 1 . . . . 54 ILE QD1 . 17124 1 649 . 1 1 54 54 ILE HD13 H 1 0.699 0.027 . 1 . . . . 54 ILE QD1 . 17124 1 650 . 1 1 54 54 ILE HG12 H 1 1.328 0.027 . 2 . . . . 54 ILE HG12 . 17124 1 651 . 1 1 54 54 ILE HG13 H 1 1.014 0.027 . 2 . . . . 54 ILE HG13 . 17124 1 652 . 1 1 54 54 ILE HG21 H 1 1.332 0.027 . 1 . . . . 54 ILE QG2 . 17124 1 653 . 1 1 54 54 ILE HG22 H 1 1.332 0.027 . 1 . . . . 54 ILE QG2 . 17124 1 654 . 1 1 54 54 ILE HG23 H 1 1.332 0.027 . 1 . . . . 54 ILE QG2 . 17124 1 655 . 1 1 54 54 ILE C C 13 175.951 0.15 . 1 . . . . 54 ILE C . 17124 1 656 . 1 1 54 54 ILE CA C 13 60.771 0.15 . 1 . . . . 54 ILE CA . 17124 1 657 . 1 1 54 54 ILE CB C 13 38.976 0.15 . 1 . . . . 54 ILE CB . 17124 1 658 . 1 1 54 54 ILE CD1 C 13 12.954 0.15 . 1 . . . . 54 ILE CD1 . 17124 1 659 . 1 1 54 54 ILE CG1 C 13 27.068 0.15 . 1 . . . . 54 ILE CG1 . 17124 1 660 . 1 1 54 54 ILE CG2 C 13 18.993 0.15 . 1 . . . . 54 ILE CG2 . 17124 1 661 . 1 1 54 54 ILE N N 15 122.920 0.20 . 1 . . . . 54 ILE N . 17124 1 662 . 1 1 55 55 SER H H 1 8.282 0.027 . 1 . . . . 55 SER H . 17124 1 663 . 1 1 55 55 SER HA H 1 4.416 0.027 . 1 . . . . 55 SER HA . 17124 1 664 . 1 1 55 55 SER HB2 H 1 3.805 0.027 . 2 . . . . 55 SER HB2 . 17124 1 665 . 1 1 55 55 SER HB3 H 1 3.752 0.027 . 2 . . . . 55 SER HB3 . 17124 1 666 . 1 1 55 55 SER C C 13 174.511 0.15 . 1 . . . . 55 SER C . 17124 1 667 . 1 1 55 55 SER CA C 13 57.986 0.15 . 1 . . . . 55 SER CA . 17124 1 668 . 1 1 55 55 SER CB C 13 63.916 0.15 . 1 . . . . 55 SER CB . 17124 1 669 . 1 1 55 55 SER N N 15 119.593 0.20 . 1 . . . . 55 SER N . 17124 1 670 . 1 1 56 56 ARG H H 1 8.450 0.027 . 1 . . . . 56 ARG H . 17124 1 671 . 1 1 56 56 ARG HA H 1 4.268 0.027 . 1 . . . . 56 ARG HA . 17124 1 672 . 1 1 56 56 ARG HB2 H 1 1.691 0.027 . 2 . . . . 56 ARG HB2 . 17124 1 673 . 1 1 56 56 ARG HB3 H 1 1.779 0.027 . 2 . . . . 56 ARG HB3 . 17124 1 674 . 1 1 56 56 ARG HD2 H 1 3.096 0.027 . 2 . . . . 56 ARG QD . 17124 1 675 . 1 1 56 56 ARG HD3 H 1 3.096 0.027 . 2 . . . . 56 ARG QD . 17124 1 676 . 1 1 56 56 ARG HG2 H 1 1.535 0.027 . 2 . . . . 56 ARG HG2 . 17124 1 677 . 1 1 56 56 ARG HG3 H 1 1.617 0.027 . 2 . . . . 56 ARG HG3 . 17124 1 678 . 1 1 56 56 ARG C C 13 176.038 0.15 . 1 . . . . 56 ARG C . 17124 1 679 . 1 1 56 56 ARG CA C 13 56.630 0.15 . 1 . . . . 56 ARG CA . 17124 1 680 . 1 1 56 56 ARG CB C 13 30.683 0.15 . 1 . . . . 56 ARG CB . 17124 1 681 . 1 1 56 56 ARG CD C 13 43.355 0.15 . 1 . . . . 56 ARG CD . 17124 1 682 . 1 1 56 56 ARG CG C 13 27.011 0.15 . 1 . . . . 56 ARG CG . 17124 1 683 . 1 1 56 56 ARG N N 15 123.077 0.20 . 1 . . . . 56 ARG N . 17124 1 684 . 1 1 57 57 ASP H H 1 8.229 0.027 . 1 . . . . 57 ASP H . 17124 1 685 . 1 1 57 57 ASP HA H 1 4.523 0.027 . 1 . . . . 57 ASP HA . 17124 1 686 . 1 1 57 57 ASP HB2 H 1 2.642 0.027 . 2 . . . . 57 ASP HB2 . 17124 1 687 . 1 1 57 57 ASP HB3 H 1 2.732 0.027 . 2 . . . . 57 ASP HB3 . 17124 1 688 . 1 1 57 57 ASP C C 13 176.125 0.15 . 1 . . . . 57 ASP C . 17124 1 689 . 1 1 57 57 ASP CA C 13 54.151 0.15 . 1 . . . . 57 ASP CA . 17124 1 690 . 1 1 57 57 ASP CB C 13 41.062 0.15 . 1 . . . . 57 ASP CB . 17124 1 691 . 1 1 57 57 ASP N N 15 120.297 0.20 . 1 . . . . 57 ASP N . 17124 1 692 . 1 1 58 58 ALA H H 1 8.062 0.027 . 1 . . . . 58 ALA H . 17124 1 693 . 1 1 58 58 ALA HA H 1 4.193 0.027 . 1 . . . . 58 ALA HA . 17124 1 694 . 1 1 58 58 ALA HB1 H 1 1.328 0.027 . 1 . . . . 58 ALA QB . 17124 1 695 . 1 1 58 58 ALA HB2 H 1 1.328 0.027 . 1 . . . . 58 ALA QB . 17124 1 696 . 1 1 58 58 ALA HB3 H 1 1.328 0.027 . 1 . . . . 58 ALA QB . 17124 1 697 . 1 1 58 58 ALA C C 13 177.651 0.15 . 1 . . . . 58 ALA C . 17124 1 698 . 1 1 58 58 ALA CA C 13 52.911 0.15 . 1 . . . . 58 ALA CA . 17124 1 699 . 1 1 58 58 ALA CB C 13 18.954 0.15 . 1 . . . . 58 ALA CB . 17124 1 700 . 1 1 58 58 ALA N N 15 123.700 0.20 . 1 . . . . 58 ALA N . 17124 1 701 . 1 1 59 59 ALA H H 1 8.145 0.027 . 1 . . . . 59 ALA H . 17124 1 702 . 1 1 59 59 ALA HA H 1 4.255 0.027 . 1 . . . . 59 ALA HA . 17124 1 703 . 1 1 59 59 ALA HB1 H 1 1.332 0.027 . 1 . . . . 59 ALA QB . 17124 1 704 . 1 1 59 59 ALA HB2 H 1 1.332 0.027 . 1 . . . . 59 ALA QB . 17124 1 705 . 1 1 59 59 ALA HB3 H 1 1.332 0.027 . 1 . . . . 59 ALA QB . 17124 1 706 . 1 1 59 59 ALA CA C 13 52.473 0.15 . 1 . . . . 59 ALA CA . 17124 1 707 . 1 1 59 59 ALA CB C 13 19.014 0.15 . 1 . . . . 59 ALA CB . 17124 1 708 . 1 1 59 59 ALA N N 15 121.618 0.20 . 1 . . . . 59 ALA N . 17124 1 709 . 1 1 60 60 GLY H H 1 8.120 0.027 . 1 . . . . 60 GLY H . 17124 1 710 . 1 1 60 60 GLY HA2 H 1 3.774 0.027 . 2 . . . . 60 GLY HA2 . 17124 1 711 . 1 1 60 60 GLY HA3 H 1 3.927 0.027 . 2 . . . . 60 GLY HA3 . 17124 1 712 . 1 1 60 60 GLY C C 13 173.701 0.15 . 1 . . . . 60 GLY C . 17124 1 713 . 1 1 60 60 GLY CA C 13 45.285 0.15 . 1 . . . . 60 GLY CA . 17124 1 714 . 1 1 60 60 GLY N N 15 107.640 0.20 . 1 . . . . 60 GLY N . 17124 1 715 . 1 1 61 61 ASP H H 1 8.115 0.027 . 1 . . . . 61 ASP H . 17124 1 716 . 1 1 61 61 ASP HA H 1 4.514 0.027 . 1 . . . . 61 ASP HA . 17124 1 717 . 1 1 61 61 ASP HB2 H 1 2.538 0.027 . 2 . . . . 61 ASP HB2 . 17124 1 718 . 1 1 61 61 ASP HB3 H 1 2.587 0.027 . 2 . . . . 61 ASP HB3 . 17124 1 719 . 1 1 61 61 ASP C C 13 176.331 0.15 . 1 . . . . 61 ASP C . 17124 1 720 . 1 1 61 61 ASP CA C 13 53.981 0.15 . 1 . . . . 61 ASP CA . 17124 1 721 . 1 1 61 61 ASP CB C 13 41.094 0.15 . 1 . . . . 61 ASP CB . 17124 1 722 . 1 1 61 61 ASP N N 15 119.947 0.20 . 1 . . . . 61 ASP N . 17124 1 723 . 1 1 62 62 HIS H H 1 8.403 0.027 . 1 . . . . 62 HIS H . 17124 1 724 . 1 1 62 62 HIS HA H 1 4.595 0.027 . 1 . . . . 62 HIS HA . 17124 1 725 . 1 1 62 62 HIS HB2 H 1 3.210 0.027 . 2 . . . . 62 HIS HB2 . 17124 1 726 . 1 1 62 62 HIS HB3 H 1 3.079 0.027 . 2 . . . . 62 HIS HB3 . 17124 1 727 . 1 1 62 62 HIS HD2 H 1 7.097 0.027 . 1 . . . . 62 HIS HD2 . 17124 1 728 . 1 1 62 62 HIS C C 13 174.868 0.15 . 1 . . . . 62 HIS C . 17124 1 729 . 1 1 62 62 HIS CA C 13 55.491 0.15 . 1 . . . . 62 HIS CA . 17124 1 730 . 1 1 62 62 HIS CB C 13 28.789 0.15 . 1 . . . . 62 HIS CB . 17124 1 731 . 1 1 62 62 HIS CD2 C 13 119.995 0.15 . 1 . . . . 62 HIS CD2 . 17124 1 732 . 1 1 62 62 HIS N N 15 119.035 0.20 . 1 . . . . 62 HIS N . 17124 1 733 . 1 1 63 63 ARG H H 1 8.268 0.027 . 1 . . . . 63 ARG H . 17124 1 734 . 1 1 63 63 ARG HA H 1 4.282 0.027 . 1 . . . . 63 ARG HA . 17124 1 735 . 1 1 63 63 ARG HB2 H 1 1.850 0.027 . 2 . . . . 63 ARG HB2 . 17124 1 736 . 1 1 63 63 ARG HB3 H 1 1.619 0.027 . 2 . . . . 63 ARG HB3 . 17124 1 737 . 1 1 63 63 ARG HD2 H 1 2.596 0.027 . 2 . . . . 63 ARG HD2 . 17124 1 738 . 1 1 63 63 ARG HD3 H 1 2.901 0.027 . 2 . . . . 63 ARG HD3 . 17124 1 739 . 1 1 63 63 ARG HG2 H 1 1.413 0.027 . 2 . . . . 63 ARG HG2 . 17124 1 740 . 1 1 63 63 ARG HG3 H 1 1.860 0.027 . 2 . . . . 63 ARG HG3 . 17124 1 741 . 1 1 63 63 ARG C C 13 175.615 0.15 . 1 . . . . 63 ARG C . 17124 1 742 . 1 1 63 63 ARG CA C 13 56.463 0.15 . 1 . . . . 63 ARG CA . 17124 1 743 . 1 1 63 63 ARG CB C 13 30.740 0.15 . 1 . . . . 63 ARG CB . 17124 1 744 . 1 1 63 63 ARG CD C 13 40.079 0.15 . 1 . . . . 63 ARG CD . 17124 1 745 . 1 1 63 63 ARG CG C 13 27.187 0.15 . 1 . . . . 63 ARG CG . 17124 1 746 . 1 1 63 63 ARG N N 15 121.116 0.20 . 1 . . . . 63 ARG N . 17124 1 747 . 1 1 64 64 GLN H H 1 8.097 0.027 . 1 . . . . 64 GLN H . 17124 1 748 . 1 1 64 64 GLN HA H 1 4.537 0.027 . 1 . . . . 64 GLN HA . 17124 1 749 . 1 1 64 64 GLN HB2 H 1 1.848 0.027 . 2 . . . . 64 GLN HB2 . 17124 1 750 . 1 1 64 64 GLN HB3 H 1 1.946 0.027 . 2 . . . . 64 GLN HB3 . 17124 1 751 . 1 1 64 64 GLN HE21 H 1 7.460 0.027 . 2 . . . . 64 GLN HE21 . 17124 1 752 . 1 1 64 64 GLN HE22 H 1 6.773 0.027 . 2 . . . . 64 GLN HE22 . 17124 1 753 . 1 1 64 64 GLN HG2 H 1 2.202 0.027 . 2 . . . . 64 GLN QG . 17124 1 754 . 1 1 64 64 GLN HG3 H 1 2.202 0.027 . 2 . . . . 64 GLN QG . 17124 1 755 . 1 1 64 64 GLN C C 13 175.083 0.15 . 1 . . . . 64 GLN C . 17124 1 756 . 1 1 64 64 GLN CA C 13 55.268 0.15 . 1 . . . . 64 GLN CA . 17124 1 757 . 1 1 64 64 GLN CB C 13 30.515 0.15 . 1 . . . . 64 GLN CB . 17124 1 758 . 1 1 64 64 GLN CG C 13 33.922 0.15 . 1 . . . . 64 GLN CG . 17124 1 759 . 1 1 64 64 GLN N N 15 119.817 0.20 . 1 . . . . 64 GLN N . 17124 1 760 . 1 1 64 64 GLN NE2 N 15 112.013 0.20 . 1 . . . . 64 GLN NE2 . 17124 1 761 . 1 1 65 65 TYR H H 1 8.670 0.027 . 1 . . . . 65 TYR H . 17124 1 762 . 1 1 65 65 TYR HA H 1 4.722 0.027 . 1 . . . . 65 TYR HA . 17124 1 763 . 1 1 65 65 TYR HB2 H 1 3.056 0.027 . 2 . . . . 65 TYR HB2 . 17124 1 764 . 1 1 65 65 TYR HB3 H 1 2.875 0.027 . 2 . . . . 65 TYR HB3 . 17124 1 765 . 1 1 65 65 TYR HD1 H 1 7.039 0.027 . 3 . . . . 65 TYR QD . 17124 1 766 . 1 1 65 65 TYR HD2 H 1 7.039 0.027 . 3 . . . . 65 TYR QD . 17124 1 767 . 1 1 65 65 TYR HE1 H 1 6.744 0.027 . 3 . . . . 65 TYR QE . 17124 1 768 . 1 1 65 65 TYR HE2 H 1 6.744 0.027 . 3 . . . . 65 TYR QE . 17124 1 769 . 1 1 65 65 TYR C C 13 174.520 0.15 . 1 . . . . 65 TYR C . 17124 1 770 . 1 1 65 65 TYR CA C 13 57.818 0.15 . 1 . . . . 65 TYR CA . 17124 1 771 . 1 1 65 65 TYR CB C 13 39.679 0.15 . 1 . . . . 65 TYR CB . 17124 1 772 . 1 1 65 65 TYR CD1 C 13 133.100 0.15 . 3 . . . . 65 TYR CD1 . 17124 1 773 . 1 1 65 65 TYR CD2 C 13 133.100 0.15 . 3 . . . . 65 TYR CD2 . 17124 1 774 . 1 1 65 65 TYR CE1 C 13 118.122 0.15 . 3 . . . . 65 TYR CE1 . 17124 1 775 . 1 1 65 65 TYR CE2 C 13 118.122 0.15 . 3 . . . . 65 TYR CE2 . 17124 1 776 . 1 1 65 65 TYR N N 15 122.719 0.20 . 1 . . . . 65 TYR N . 17124 1 777 . 1 1 66 66 ARG H H 1 8.180 0.027 . 1 . . . . 66 ARG H . 17124 1 778 . 1 1 66 66 ARG HA H 1 4.977 0.027 . 1 . . . . 66 ARG HA . 17124 1 779 . 1 1 66 66 ARG HB2 H 1 1.690 0.027 . 2 . . . . 66 ARG HB2 . 17124 1 780 . 1 1 66 66 ARG HB3 H 1 1.866 0.027 . 2 . . . . 66 ARG HB3 . 17124 1 781 . 1 1 66 66 ARG HD2 H 1 3.025 0.027 . 2 . . . . 66 ARG QD . 17124 1 782 . 1 1 66 66 ARG HD3 H 1 3.025 0.027 . 2 . . . . 66 ARG QD . 17124 1 783 . 1 1 66 66 ARG HG2 H 1 1.606 0.027 . 2 . . . . 66 ARG HG2 . 17124 1 784 . 1 1 66 66 ARG HG3 H 1 1.489 0.027 . 2 . . . . 66 ARG HG3 . 17124 1 785 . 1 1 66 66 ARG C C 13 175.313 0.15 . 1 . . . . 66 ARG C . 17124 1 786 . 1 1 66 66 ARG CA C 13 54.544 0.15 . 1 . . . . 66 ARG CA . 17124 1 787 . 1 1 66 66 ARG CB C 13 34.148 0.15 . 1 . . . . 66 ARG CB . 17124 1 788 . 1 1 66 66 ARG CD C 13 43.705 0.15 . 1 . . . . 66 ARG CD . 17124 1 789 . 1 1 66 66 ARG CG C 13 27.057 0.15 . 1 . . . . 66 ARG CG . 17124 1 790 . 1 1 66 66 ARG N N 15 119.608 0.20 . 1 . . . . 66 ARG N . 17124 1 791 . 1 1 67 67 GLY H H 1 7.243 0.027 . 1 . . . . 67 GLY H . 17124 1 792 . 1 1 67 67 GLY HA2 H 1 3.573 0.027 . 2 . . . . 67 GLY HA2 . 17124 1 793 . 1 1 67 67 GLY HA3 H 1 4.076 0.027 . 2 . . . . 67 GLY HA3 . 17124 1 794 . 1 1 67 67 GLY C C 13 171.455 0.15 . 1 . . . . 67 GLY C . 17124 1 795 . 1 1 67 67 GLY CA C 13 45.483 0.15 . 1 . . . . 67 GLY CA . 17124 1 796 . 1 1 67 67 GLY N N 15 107.142 0.20 . 1 . . . . 67 GLY N . 17124 1 797 . 1 1 68 68 VAL H H 1 8.028 0.027 . 1 . . . . 68 VAL H . 17124 1 798 . 1 1 68 68 VAL HA H 1 4.870 0.027 . 1 . . . . 68 VAL HA . 17124 1 799 . 1 1 68 68 VAL HB H 1 1.775 0.027 . 1 . . . . 68 VAL HB . 17124 1 800 . 1 1 68 68 VAL HG11 H 1 0.796 0.027 . 1 . . . . 68 VAL QG1 . 17124 1 801 . 1 1 68 68 VAL HG12 H 1 0.796 0.027 . 1 . . . . 68 VAL QG1 . 17124 1 802 . 1 1 68 68 VAL HG13 H 1 0.796 0.027 . 1 . . . . 68 VAL QG1 . 17124 1 803 . 1 1 68 68 VAL HG21 H 1 0.814 0.027 . 1 . . . . 68 VAL QG2 . 17124 1 804 . 1 1 68 68 VAL HG22 H 1 0.814 0.027 . 1 . . . . 68 VAL QG2 . 17124 1 805 . 1 1 68 68 VAL HG23 H 1 0.814 0.027 . 1 . . . . 68 VAL QG2 . 17124 1 806 . 1 1 68 68 VAL C C 13 174.212 0.15 . 1 . . . . 68 VAL C . 17124 1 807 . 1 1 68 68 VAL CA C 13 60.738 0.15 . 1 . . . . 68 VAL CA . 17124 1 808 . 1 1 68 68 VAL CB C 13 36.212 0.15 . 1 . . . . 68 VAL CB . 17124 1 809 . 1 1 68 68 VAL CG1 C 13 21.275 0.15 . 2 . . . . 68 VAL CG1 . 17124 1 810 . 1 1 68 68 VAL CG2 C 13 21.464 0.15 . 2 . . . . 68 VAL CG2 . 17124 1 811 . 1 1 68 68 VAL N N 15 121.075 0.20 . 1 . . . . 68 VAL N . 17124 1 812 . 1 1 69 69 PHE H H 1 8.887 0.027 . 1 . . . . 69 PHE H . 17124 1 813 . 1 1 69 69 PHE HA H 1 5.216 0.027 . 1 . . . . 69 PHE HA . 17124 1 814 . 1 1 69 69 PHE HB2 H 1 2.234 0.027 . 2 . . . . 69 PHE HB2 . 17124 1 815 . 1 1 69 69 PHE HB3 H 1 1.810 0.027 . 2 . . . . 69 PHE HB3 . 17124 1 816 . 1 1 69 69 PHE HD1 H 1 6.441 0.027 . 3 . . . . 69 PHE QD . 17124 1 817 . 1 1 69 69 PHE HD2 H 1 6.441 0.027 . 3 . . . . 69 PHE QD . 17124 1 818 . 1 1 69 69 PHE C C 13 172.153 0.15 . 1 . . . . 69 PHE C . 17124 1 819 . 1 1 69 69 PHE CA C 13 54.278 0.15 . 1 . . . . 69 PHE CA . 17124 1 820 . 1 1 69 69 PHE CB C 13 40.656 0.15 . 1 . . . . 69 PHE CB . 17124 1 821 . 1 1 69 69 PHE CD1 C 13 131.449 0.15 . 3 . . . . 69 PHE CD1 . 17124 1 822 . 1 1 69 69 PHE CD2 C 13 131.449 0.15 . 3 . . . . 69 PHE CD2 . 17124 1 823 . 1 1 69 69 PHE N N 15 128.152 0.20 . 1 . . . . 69 PHE N . 17124 1 824 . 1 1 70 70 GLN H H 1 8.524 0.027 . 1 . . . . 70 GLN H . 17124 1 825 . 1 1 70 70 GLN HA H 1 4.718 0.027 . 1 . . . . 70 GLN HA . 17124 1 826 . 1 1 70 70 GLN HB2 H 1 1.627 0.027 . 2 . . . . 70 GLN HB2 . 17124 1 827 . 1 1 70 70 GLN HB3 H 1 1.495 0.027 . 2 . . . . 70 GLN HB3 . 17124 1 828 . 1 1 70 70 GLN HE21 H 1 6.345 0.027 . 2 . . . . 70 GLN HE21 . 17124 1 829 . 1 1 70 70 GLN HE22 H 1 7.654 0.027 . 2 . . . . 70 GLN HE22 . 17124 1 830 . 1 1 70 70 GLN HG2 H 1 1.900 0.027 . 2 . . . . 70 GLN HG2 . 17124 1 831 . 1 1 70 70 GLN HG3 H 1 1.610 0.027 . 2 . . . . 70 GLN HG3 . 17124 1 832 . 1 1 70 70 GLN CA C 13 53.398 0.15 . 1 . . . . 70 GLN CA . 17124 1 833 . 1 1 70 70 GLN CB C 13 33.142 0.15 . 1 . . . . 70 GLN CB . 17124 1 834 . 1 1 70 70 GLN CG C 13 32.390 0.15 . 1 . . . . 70 GLN CG . 17124 1 835 . 1 1 70 70 GLN N N 15 127.855 0.20 . 1 . . . . 70 GLN N . 17124 1 836 . 1 1 70 70 GLN NE2 N 15 111.788 0.20 . 1 . . . . 70 GLN NE2 . 17124 1 837 . 1 1 71 71 VAL H H 1 8.952 0.027 . 1 . . . . 71 VAL H . 17124 1 838 . 1 1 71 71 VAL HA H 1 4.152 0.027 . 1 . . . . 71 VAL HA . 17124 1 839 . 1 1 71 71 VAL HB H 1 1.428 0.027 . 1 . . . . 71 VAL HB . 17124 1 840 . 1 1 71 71 VAL HG11 H 1 0.526 0.027 . 1 . . . . 71 VAL QG1 . 17124 1 841 . 1 1 71 71 VAL HG12 H 1 0.526 0.027 . 1 . . . . 71 VAL QG1 . 17124 1 842 . 1 1 71 71 VAL HG13 H 1 0.526 0.027 . 1 . . . . 71 VAL QG1 . 17124 1 843 . 1 1 71 71 VAL HG21 H 1 0.162 0.027 . 1 . . . . 71 VAL QG2 . 17124 1 844 . 1 1 71 71 VAL HG22 H 1 0.162 0.027 . 1 . . . . 71 VAL QG2 . 17124 1 845 . 1 1 71 71 VAL HG23 H 1 0.162 0.027 . 1 . . . . 71 VAL QG2 . 17124 1 846 . 1 1 71 71 VAL C C 13 173.445 0.15 . 1 . . . . 71 VAL C . 17124 1 847 . 1 1 71 71 VAL CA C 13 60.132 0.15 . 1 . . . . 71 VAL CA . 17124 1 848 . 1 1 71 71 VAL CB C 13 34.168 0.15 . 1 . . . . 71 VAL CB . 17124 1 849 . 1 1 71 71 VAL CG1 C 13 22.710 0.15 . 2 . . . . 71 VAL CG1 . 17124 1 850 . 1 1 71 71 VAL CG2 C 13 22.161 0.15 . 2 . . . . 71 VAL CG2 . 17124 1 851 . 1 1 71 71 VAL N N 15 124.223 0.20 . 1 . . . . 71 VAL N . 17124 1 852 . 1 1 72 72 ASN H H 1 9.194 0.027 . 1 . . . . 72 ASN H . 17124 1 853 . 1 1 72 72 ASN HA H 1 5.058 0.027 . 1 . . . . 72 ASN HA . 17124 1 854 . 1 1 72 72 ASN HB2 H 1 2.063 0.027 . 2 . . . . 72 ASN HB2 . 17124 1 855 . 1 1 72 72 ASN HB3 H 1 2.607 0.027 . 2 . . . . 72 ASN HB3 . 17124 1 856 . 1 1 72 72 ASN HD21 H 1 6.999 0.027 . 2 . . . . 72 ASN HD21 . 17124 1 857 . 1 1 72 72 ASN HD22 H 1 6.615 0.027 . 2 . . . . 72 ASN HD22 . 17124 1 858 . 1 1 72 72 ASN C C 13 174.218 0.15 . 1 . . . . 72 ASN C . 17124 1 859 . 1 1 72 72 ASN CA C 13 51.045 0.15 . 1 . . . . 72 ASN CA . 17124 1 860 . 1 1 72 72 ASN CB C 13 38.771 0.15 . 1 . . . . 72 ASN CB . 17124 1 861 . 1 1 72 72 ASN N N 15 125.660 0.20 . 1 . . . . 72 ASN N . 17124 1 862 . 1 1 72 72 ASN ND2 N 15 108.605 0.20 . 1 . . . . 72 ASN ND2 . 17124 1 863 . 1 1 73 73 VAL H H 1 8.729 0.027 . 1 . . . . 73 VAL H . 17124 1 864 . 1 1 73 73 VAL HA H 1 3.922 0.027 . 1 . . . . 73 VAL HA . 17124 1 865 . 1 1 73 73 VAL HB H 1 2.113 0.027 . 1 . . . . 73 VAL HB . 17124 1 866 . 1 1 73 73 VAL HG11 H 1 0.788 0.027 . 1 . . . . 73 VAL QG1 . 17124 1 867 . 1 1 73 73 VAL HG12 H 1 0.788 0.027 . 1 . . . . 73 VAL QG1 . 17124 1 868 . 1 1 73 73 VAL HG13 H 1 0.788 0.027 . 1 . . . . 73 VAL QG1 . 17124 1 869 . 1 1 73 73 VAL HG21 H 1 0.658 0.027 . 1 . . . . 73 VAL QG2 . 17124 1 870 . 1 1 73 73 VAL HG22 H 1 0.658 0.027 . 1 . . . . 73 VAL QG2 . 17124 1 871 . 1 1 73 73 VAL HG23 H 1 0.658 0.027 . 1 . . . . 73 VAL QG2 . 17124 1 872 . 1 1 73 73 VAL C C 13 174.110 0.15 . 1 . . . . 73 VAL C . 17124 1 873 . 1 1 73 73 VAL CA C 13 62.098 0.15 . 1 . . . . 73 VAL CA . 17124 1 874 . 1 1 73 73 VAL CB C 13 31.264 0.15 . 1 . . . . 73 VAL CB . 17124 1 875 . 1 1 73 73 VAL CG1 C 13 20.925 0.15 . 2 . . . . 73 VAL CG1 . 17124 1 876 . 1 1 73 73 VAL CG2 C 13 21.293 0.15 . 2 . . . . 73 VAL CG2 . 17124 1 877 . 1 1 73 73 VAL N N 15 125.574 0.20 . 1 . . . . 73 VAL N . 17124 1 878 . 1 1 74 74 VAL H H 1 8.639 0.027 . 1 . . . . 74 VAL H . 17124 1 879 . 1 1 74 74 VAL HA H 1 4.161 0.027 . 1 . . . . 74 VAL HA . 17124 1 880 . 1 1 74 74 VAL HB H 1 0.547 0.027 . 1 . . . . 74 VAL HB . 17124 1 881 . 1 1 74 74 VAL HG11 H 1 0.540 0.027 . 1 . . . . 74 VAL QG1 . 17124 1 882 . 1 1 74 74 VAL HG12 H 1 0.540 0.027 . 1 . . . . 74 VAL QG1 . 17124 1 883 . 1 1 74 74 VAL HG13 H 1 0.540 0.027 . 1 . . . . 74 VAL QG1 . 17124 1 884 . 1 1 74 74 VAL HG21 H 1 0.345 0.027 . 1 . . . . 74 VAL QG2 . 17124 1 885 . 1 1 74 74 VAL HG22 H 1 0.345 0.027 . 1 . . . . 74 VAL QG2 . 17124 1 886 . 1 1 74 74 VAL HG23 H 1 0.345 0.027 . 1 . . . . 74 VAL QG2 . 17124 1 887 . 1 1 74 74 VAL C C 13 175.017 0.15 . 1 . . . . 74 VAL C . 17124 1 888 . 1 1 74 74 VAL CA C 13 62.416 0.15 . 1 . . . . 74 VAL CA . 17124 1 889 . 1 1 74 74 VAL CB C 13 30.828 0.15 . 1 . . . . 74 VAL CB . 17124 1 890 . 1 1 74 74 VAL CG1 C 13 21.635 0.15 . 2 . . . . 74 VAL CG1 . 17124 1 891 . 1 1 74 74 VAL CG2 C 13 19.811 0.15 . 2 . . . . 74 VAL CG2 . 17124 1 892 . 1 1 74 74 VAL N N 15 129.643 0.20 . 1 . . . . 74 VAL N . 17124 1 893 . 1 1 75 75 MET H H 1 8.734 0.027 . 1 . . . . 75 MET H . 17124 1 894 . 1 1 75 75 MET HA H 1 4.951 0.027 . 1 . . . . 75 MET HA . 17124 1 895 . 1 1 75 75 MET HB2 H 1 2.495 0.027 . 2 . . . . 75 MET HB2 . 17124 1 896 . 1 1 75 75 MET HB3 H 1 2.369 0.027 . 2 . . . . 75 MET HB3 . 17124 1 897 . 1 1 75 75 MET HE1 H 1 1.903 0.027 . 1 . . . . 75 MET QE . 17124 1 898 . 1 1 75 75 MET HE2 H 1 1.903 0.027 . 1 . . . . 75 MET QE . 17124 1 899 . 1 1 75 75 MET HE3 H 1 1.903 0.027 . 1 . . . . 75 MET QE . 17124 1 900 . 1 1 75 75 MET HG2 H 1 1.989 0.027 . 2 . . . . 75 MET QG . 17124 1 901 . 1 1 75 75 MET HG3 H 1 1.989 0.027 . 2 . . . . 75 MET QG . 17124 1 902 . 1 1 75 75 MET CA C 13 52.430 0.15 . 1 . . . . 75 MET CA . 17124 1 903 . 1 1 75 75 MET CB C 13 31.518 0.15 . 1 . . . . 75 MET CB . 17124 1 904 . 1 1 75 75 MET CE C 13 17.033 0.15 . 1 . . . . 75 MET CE . 17124 1 905 . 1 1 75 75 MET CG C 13 34.751 0.15 . 1 . . . . 75 MET CG . 17124 1 906 . 1 1 75 75 MET N N 15 124.598 0.20 . 1 . . . . 75 MET N . 17124 1 907 . 1 1 76 76 PRO HA H 1 4.593 0.027 . 1 . . . . 76 PRO HA . 17124 1 908 . 1 1 76 76 PRO HB2 H 1 1.820 0.027 . 2 . . . . 76 PRO HB2 . 17124 1 909 . 1 1 76 76 PRO HB3 H 1 2.392 0.027 . 2 . . . . 76 PRO HB3 . 17124 1 910 . 1 1 76 76 PRO HD2 H 1 3.542 0.027 . 2 . . . . 76 PRO HD2 . 17124 1 911 . 1 1 76 76 PRO HD3 H 1 3.703 0.027 . 2 . . . . 76 PRO HD3 . 17124 1 912 . 1 1 76 76 PRO HG2 H 1 1.937 0.027 . 2 . . . . 76 PRO HG2 . 17124 1 913 . 1 1 76 76 PRO C C 13 177.722 0.15 . 1 . . . . 76 PRO C . 17124 1 914 . 1 1 76 76 PRO CA C 13 62.406 0.15 . 1 . . . . 76 PRO CA . 17124 1 915 . 1 1 76 76 PRO CB C 13 31.958 0.15 . 1 . . . . 76 PRO CB . 17124 1 916 . 1 1 76 76 PRO CD C 13 50.515 0.15 . 1 . . . . 76 PRO CD . 17124 1 917 . 1 1 76 76 PRO CG C 13 27.417 0.15 . 1 . . . . 76 PRO CG . 17124 1 918 . 1 1 77 77 ILE H H 1 7.956 0.027 . 1 . . . . 77 ILE H . 17124 1 919 . 1 1 77 77 ILE HA H 1 3.706 0.027 . 1 . . . . 77 ILE HA . 17124 1 920 . 1 1 77 77 ILE HB H 1 1.527 0.027 . 1 . . . . 77 ILE HB . 17124 1 921 . 1 1 77 77 ILE HD11 H 1 0.692 0.027 . 1 . . . . 77 ILE QD1 . 17124 1 922 . 1 1 77 77 ILE HD12 H 1 0.692 0.027 . 1 . . . . 77 ILE QD1 . 17124 1 923 . 1 1 77 77 ILE HD13 H 1 0.692 0.027 . 1 . . . . 77 ILE QD1 . 17124 1 924 . 1 1 77 77 ILE HG12 H 1 1.239 0.027 . 2 . . . . 77 ILE HG12 . 17124 1 925 . 1 1 77 77 ILE HG13 H 1 0.952 0.027 . 2 . . . . 77 ILE HG13 . 17124 1 926 . 1 1 77 77 ILE HG21 H 1 0.783 0.027 . 1 . . . . 77 ILE QG2 . 17124 1 927 . 1 1 77 77 ILE HG22 H 1 0.783 0.027 . 1 . . . . 77 ILE QG2 . 17124 1 928 . 1 1 77 77 ILE HG23 H 1 0.783 0.027 . 1 . . . . 77 ILE QG2 . 17124 1 929 . 1 1 77 77 ILE C C 13 177.144 0.15 . 1 . . . . 77 ILE C . 17124 1 930 . 1 1 77 77 ILE CA C 13 62.843 0.15 . 1 . . . . 77 ILE CA . 17124 1 931 . 1 1 77 77 ILE CB C 13 38.000 0.15 . 1 . . . . 77 ILE CB . 17124 1 932 . 1 1 77 77 ILE CD1 C 13 12.925 0.15 . 1 . . . . 77 ILE CD1 . 17124 1 933 . 1 1 77 77 ILE CG1 C 13 28.415 0.15 . 1 . . . . 77 ILE CG1 . 17124 1 934 . 1 1 77 77 ILE CG2 C 13 17.137 0.15 . 1 . . . . 77 ILE CG2 . 17124 1 935 . 1 1 77 77 ILE N N 15 121.949 0.20 . 1 . . . . 77 ILE N . 17124 1 936 . 1 1 78 78 GLY H H 1 8.678 0.027 . 1 . . . . 78 GLY H . 17124 1 937 . 1 1 78 78 GLY HA2 H 1 3.766 0.027 . 2 . . . . 78 GLY HA2 . 17124 1 938 . 1 1 78 78 GLY HA3 H 1 3.966 0.027 . 2 . . . . 78 GLY HA3 . 17124 1 939 . 1 1 78 78 GLY C C 13 174.268 0.15 . 1 . . . . 78 GLY C . 17124 1 940 . 1 1 78 78 GLY CA C 13 45.205 0.15 . 1 . . . . 78 GLY CA . 17124 1 941 . 1 1 78 78 GLY N N 15 112.608 0.20 . 1 . . . . 78 GLY N . 17124 1 942 . 1 1 79 79 ASP H H 1 7.677 0.027 . 1 . . . . 79 ASP H . 17124 1 943 . 1 1 79 79 ASP HA H 1 4.530 0.027 . 1 . . . . 79 ASP HA . 17124 1 944 . 1 1 79 79 ASP HB2 H 1 2.629 0.027 . 2 . . . . 79 ASP HB2 . 17124 1 945 . 1 1 79 79 ASP HB3 H 1 2.742 0.027 . 2 . . . . 79 ASP HB3 . 17124 1 946 . 1 1 79 79 ASP C C 13 176.966 0.15 . 1 . . . . 79 ASP C . 17124 1 947 . 1 1 79 79 ASP CA C 13 54.696 0.15 . 1 . . . . 79 ASP CA . 17124 1 948 . 1 1 79 79 ASP CB C 13 42.157 0.15 . 1 . . . . 79 ASP CB . 17124 1 949 . 1 1 79 79 ASP N N 15 120.493 0.20 . 1 . . . . 79 ASP N . 17124 1 950 . 1 1 80 80 GLY H H 1 8.519 0.027 . 1 . . . . 80 GLY H . 17124 1 951 . 1 1 80 80 GLY HA2 H 1 3.804 0.027 . 2 . . . . 80 GLY HA2 . 17124 1 952 . 1 1 80 80 GLY HA3 H 1 4.184 0.027 . 2 . . . . 80 GLY HA3 . 17124 1 953 . 1 1 80 80 GLY C C 13 175.108 0.15 . 1 . . . . 80 GLY C . 17124 1 954 . 1 1 80 80 GLY CA C 13 45.430 0.15 . 1 . . . . 80 GLY CA . 17124 1 955 . 1 1 80 80 GLY N N 15 112.143 0.20 . 1 . . . . 80 GLY N . 17124 1 956 . 1 1 81 81 SER H H 1 8.451 0.027 . 1 . . . . 81 SER H . 17124 1 957 . 1 1 81 81 SER HA H 1 4.401 0.027 . 1 . . . . 81 SER HA . 17124 1 958 . 1 1 81 81 SER HB2 H 1 3.967 0.027 . 2 . . . . 81 SER HB2 . 17124 1 959 . 1 1 81 81 SER HB3 H 1 3.896 0.027 . 2 . . . . 81 SER HB3 . 17124 1 960 . 1 1 81 81 SER C C 13 175.259 0.15 . 1 . . . . 81 SER C . 17124 1 961 . 1 1 81 81 SER CA C 13 59.422 0.15 . 1 . . . . 81 SER CA . 17124 1 962 . 1 1 81 81 SER CB C 13 64.196 0.15 . 1 . . . . 81 SER CB . 17124 1 963 . 1 1 81 81 SER N N 15 116.164 0.20 . 1 . . . . 81 SER N . 17124 1 964 . 1 1 82 82 ARG H H 1 8.504 0.027 . 1 . . . . 82 ARG H . 17124 1 965 . 1 1 82 82 ARG HA H 1 4.303 0.027 . 1 . . . . 82 ARG HA . 17124 1 966 . 1 1 82 82 ARG HB2 H 1 1.820 0.027 . 2 . . . . 82 ARG HB2 . 17124 1 967 . 1 1 82 82 ARG HB3 H 1 1.975 0.027 . 2 . . . . 82 ARG HB3 . 17124 1 968 . 1 1 82 82 ARG HD2 H 1 3.147 0.027 . 2 . . . . 82 ARG HD2 . 17124 1 969 . 1 1 82 82 ARG HD3 H 1 3.020 0.027 . 2 . . . . 82 ARG HD3 . 17124 1 970 . 1 1 82 82 ARG HG2 H 1 1.615 0.027 . 2 . . . . 82 ARG HG2 . 17124 1 971 . 1 1 82 82 ARG HG3 H 1 1.550 0.027 . 2 . . . . 82 ARG HG3 . 17124 1 972 . 1 1 82 82 ARG CA C 13 57.026 0.15 . 1 . . . . 82 ARG CA . 17124 1 973 . 1 1 82 82 ARG CB C 13 28.836 0.15 . 1 . . . . 82 ARG CB . 17124 1 974 . 1 1 82 82 ARG CD C 13 43.360 0.15 . 1 . . . . 82 ARG CD . 17124 1 975 . 1 1 82 82 ARG CG C 13 27.166 0.15 . 1 . . . . 82 ARG CG . 17124 1 976 . 1 1 82 82 ARG N N 15 121.082 0.20 . 1 . . . . 82 ARG N . 17124 1 977 . 1 1 83 83 SER H H 1 8.167 0.027 . 1 . . . . 83 SER H . 17124 1 978 . 1 1 83 83 SER HA H 1 4.233 0.027 . 1 . . . . 83 SER HA . 17124 1 979 . 1 1 83 83 SER HB2 H 1 3.820 0.027 . 2 . . . . 83 SER HB2 . 17124 1 980 . 1 1 83 83 SER HB3 H 1 3.688 0.027 . 2 . . . . 83 SER HB3 . 17124 1 981 . 1 1 83 83 SER C C 13 175.796 0.15 . 1 . . . . 83 SER C . 17124 1 982 . 1 1 83 83 SER CA C 13 62.066 0.15 . 1 . . . . 83 SER CA . 17124 1 983 . 1 1 83 83 SER CB C 13 63.270 0.15 . 1 . . . . 83 SER CB . 17124 1 984 . 1 1 83 83 SER N N 15 114.468 0.20 . 1 . . . . 83 SER N . 17124 1 985 . 1 1 84 84 ALA H H 1 8.204 0.027 . 1 . . . . 84 ALA H . 17124 1 986 . 1 1 84 84 ALA HA H 1 3.969 0.027 . 1 . . . . 84 ALA HA . 17124 1 987 . 1 1 84 84 ALA HB1 H 1 1.328 0.027 . 1 . . . . 84 ALA QB . 17124 1 988 . 1 1 84 84 ALA HB2 H 1 1.328 0.027 . 1 . . . . 84 ALA QB . 17124 1 989 . 1 1 84 84 ALA HB3 H 1 1.328 0.027 . 1 . . . . 84 ALA QB . 17124 1 990 . 1 1 84 84 ALA C C 13 179.027 0.15 . 1 . . . . 84 ALA C . 17124 1 991 . 1 1 84 84 ALA CA C 13 55.345 0.15 . 1 . . . . 84 ALA CA . 17124 1 992 . 1 1 84 84 ALA CB C 13 18.189 0.15 . 1 . . . . 84 ALA CB . 17124 1 993 . 1 1 84 84 ALA N N 15 122.803 0.20 . 1 . . . . 84 ALA N . 17124 1 994 . 1 1 85 85 GLU H H 1 8.260 0.027 . 1 . . . . 85 GLU H . 17124 1 995 . 1 1 85 85 GLU HA H 1 3.912 0.027 . 1 . . . . 85 GLU HA . 17124 1 996 . 1 1 85 85 GLU HB2 H 1 2.136 0.027 . 2 . . . . 85 GLU HB2 . 17124 1 997 . 1 1 85 85 GLU HB3 H 1 1.993 0.027 . 2 . . . . 85 GLU HB3 . 17124 1 998 . 1 1 85 85 GLU HG2 H 1 2.267 0.027 . 2 . . . . 85 GLU HG2 . 17124 1 999 . 1 1 85 85 GLU HG3 H 1 2.341 0.027 . 2 . . . . 85 GLU HG3 . 17124 1 1000 . 1 1 85 85 GLU C C 13 179.477 0.15 . 1 . . . . 85 GLU C . 17124 1 1001 . 1 1 85 85 GLU CA C 13 59.810 0.15 . 1 . . . . 85 GLU CA . 17124 1 1002 . 1 1 85 85 GLU CB C 13 29.040 0.15 . 1 . . . . 85 GLU CB . 17124 1 1003 . 1 1 85 85 GLU CG C 13 36.824 0.15 . 1 . . . . 85 GLU CG . 17124 1 1004 . 1 1 85 85 GLU N N 15 118.695 0.20 . 1 . . . . 85 GLU N . 17124 1 1005 . 1 1 86 86 GLN H H 1 7.882 0.027 . 1 . . . . 86 GLN H . 17124 1 1006 . 1 1 86 86 GLN HA H 1 4.142 0.027 . 1 . . . . 86 GLN HA . 17124 1 1007 . 1 1 86 86 GLN HB2 H 1 2.206 0.027 . 2 . . . . 86 GLN HB2 . 17124 1 1008 . 1 1 86 86 GLN HB3 H 1 2.135 0.027 . 2 . . . . 86 GLN HB3 . 17124 1 1009 . 1 1 86 86 GLN HE21 H 1 6.833 0.027 . 2 . . . . 86 GLN HE21 . 17124 1 1010 . 1 1 86 86 GLN HE22 H 1 7.684 0.027 . 2 . . . . 86 GLN HE22 . 17124 1 1011 . 1 1 86 86 GLN HG2 H 1 2.404 0.027 . 2 . . . . 86 GLN HG2 . 17124 1 1012 . 1 1 86 86 GLN HG3 H 1 2.484 0.027 . 2 . . . . 86 GLN HG3 . 17124 1 1013 . 1 1 86 86 GLN C C 13 178.233 0.15 . 1 . . . . 86 GLN C . 17124 1 1014 . 1 1 86 86 GLN CA C 13 58.673 0.15 . 1 . . . . 86 GLN CA . 17124 1 1015 . 1 1 86 86 GLN CB C 13 28.340 0.15 . 1 . . . . 86 GLN CB . 17124 1 1016 . 1 1 86 86 GLN CG C 13 33.599 0.15 . 1 . . . . 86 GLN CG . 17124 1 1017 . 1 1 86 86 GLN N N 15 120.071 0.20 . 1 . . . . 86 GLN N . 17124 1 1018 . 1 1 86 86 GLN NE2 N 15 112.300 0.20 . 1 . . . . 86 GLN NE2 . 17124 1 1019 . 1 1 87 87 VAL H H 1 8.174 0.027 . 1 . . . . 87 VAL H . 17124 1 1020 . 1 1 87 87 VAL HA H 1 3.718 0.027 . 1 . . . . 87 VAL HA . 17124 1 1021 . 1 1 87 87 VAL HB H 1 2.050 0.027 . 1 . . . . 87 VAL HB . 17124 1 1022 . 1 1 87 87 VAL HG11 H 1 1.043 0.027 . 1 . . . . 87 VAL QG1 . 17124 1 1023 . 1 1 87 87 VAL HG12 H 1 1.043 0.027 . 1 . . . . 87 VAL QG1 . 17124 1 1024 . 1 1 87 87 VAL HG13 H 1 1.043 0.027 . 1 . . . . 87 VAL QG1 . 17124 1 1025 . 1 1 87 87 VAL HG21 H 1 0.870 0.027 . 1 . . . . 87 VAL QG2 . 17124 1 1026 . 1 1 87 87 VAL HG22 H 1 0.870 0.027 . 1 . . . . 87 VAL QG2 . 17124 1 1027 . 1 1 87 87 VAL HG23 H 1 0.870 0.027 . 1 . . . . 87 VAL QG2 . 17124 1 1028 . 1 1 87 87 VAL C C 13 177.647 0.15 . 1 . . . . 87 VAL C . 17124 1 1029 . 1 1 87 87 VAL CA C 13 66.824 0.15 . 1 . . . . 87 VAL CA . 17124 1 1030 . 1 1 87 87 VAL CB C 13 31.482 0.15 . 1 . . . . 87 VAL CB . 17124 1 1031 . 1 1 87 87 VAL CG1 C 13 23.436 0.15 . 2 . . . . 87 VAL CG1 . 17124 1 1032 . 1 1 87 87 VAL CG2 C 13 22.057 0.15 . 2 . . . . 87 VAL CG2 . 17124 1 1033 . 1 1 87 87 VAL N N 15 118.987 0.20 . 1 . . . . 87 VAL N . 17124 1 1034 . 1 1 88 88 ALA H H 1 8.210 0.027 . 1 . . . . 88 ALA H . 17124 1 1035 . 1 1 88 88 ALA HA H 1 3.757 0.027 . 1 . . . . 88 ALA HA . 17124 1 1036 . 1 1 88 88 ALA HB1 H 1 1.387 0.027 . 1 . . . . 88 ALA QB . 17124 1 1037 . 1 1 88 88 ALA HB2 H 1 1.387 0.027 . 1 . . . . 88 ALA QB . 17124 1 1038 . 1 1 88 88 ALA HB3 H 1 1.387 0.027 . 1 . . . . 88 ALA QB . 17124 1 1039 . 1 1 88 88 ALA C C 13 179.064 0.15 . 1 . . . . 88 ALA C . 17124 1 1040 . 1 1 88 88 ALA CA C 13 56.164 0.15 . 1 . . . . 88 ALA CA . 17124 1 1041 . 1 1 88 88 ALA CB C 13 17.828 0.15 . 1 . . . . 88 ALA CB . 17124 1 1042 . 1 1 88 88 ALA N N 15 120.821 0.20 . 1 . . . . 88 ALA N . 17124 1 1043 . 1 1 89 89 ALA H H 1 7.427 0.027 . 1 . . . . 89 ALA H . 17124 1 1044 . 1 1 89 89 ALA HA H 1 4.155 0.027 . 1 . . . . 89 ALA HA . 17124 1 1045 . 1 1 89 89 ALA HB1 H 1 1.520 0.027 . 1 . . . . 89 ALA QB . 17124 1 1046 . 1 1 89 89 ALA HB2 H 1 1.520 0.027 . 1 . . . . 89 ALA QB . 17124 1 1047 . 1 1 89 89 ALA HB3 H 1 1.520 0.027 . 1 . . . . 89 ALA QB . 17124 1 1048 . 1 1 89 89 ALA C C 13 181.496 0.15 . 1 . . . . 89 ALA C . 17124 1 1049 . 1 1 89 89 ALA CA C 13 54.925 0.15 . 1 . . . . 89 ALA CA . 17124 1 1050 . 1 1 89 89 ALA CB C 13 17.831 0.15 . 1 . . . . 89 ALA CB . 17124 1 1051 . 1 1 89 89 ALA N N 15 119.241 0.20 . 1 . . . . 89 ALA N . 17124 1 1052 . 1 1 90 90 GLU H H 1 8.109 0.027 . 1 . . . . 90 GLU H . 17124 1 1053 . 1 1 90 90 GLU HA H 1 3.998 0.027 . 1 . . . . 90 GLU HA . 17124 1 1054 . 1 1 90 90 GLU HB2 H 1 2.277 0.027 . 2 . . . . 90 GLU HB2 . 17124 1 1055 . 1 1 90 90 GLU HB3 H 1 2.373 0.027 . 2 . . . . 90 GLU HB3 . 17124 1 1056 . 1 1 90 90 GLU HG2 H 1 2.742 0.027 . 2 . . . . 90 GLU HG2 . 17124 1 1057 . 1 1 90 90 GLU HG3 H 1 2.359 0.027 . 2 . . . . 90 GLU HG3 . 17124 1 1058 . 1 1 90 90 GLU C C 13 180.185 0.15 . 1 . . . . 90 GLU C . 17124 1 1059 . 1 1 90 90 GLU CA C 13 59.424 0.15 . 1 . . . . 90 GLU CA . 17124 1 1060 . 1 1 90 90 GLU CB C 13 30.227 0.15 . 1 . . . . 90 GLU CB . 17124 1 1061 . 1 1 90 90 GLU CG C 13 37.384 0.15 . 1 . . . . 90 GLU CG . 17124 1 1062 . 1 1 90 90 GLU N N 15 119.694 0.20 . 1 . . . . 90 GLU N . 17124 1 1063 . 1 1 91 91 LEU H H 1 8.696 0.027 . 1 . . . . 91 LEU H . 17124 1 1064 . 1 1 91 91 LEU HA H 1 3.691 0.027 . 1 . . . . 91 LEU HA . 17124 1 1065 . 1 1 91 91 LEU HB2 H 1 1.831 0.027 . 2 . . . . 91 LEU HB2 . 17124 1 1066 . 1 1 91 91 LEU HB3 H 1 1.091 0.027 . 2 . . . . 91 LEU HB3 . 17124 1 1067 . 1 1 91 91 LEU HD11 H 1 0.492 0.027 . 1 . . . . 91 LEU QD1 . 17124 1 1068 . 1 1 91 91 LEU HD12 H 1 0.492 0.027 . 1 . . . . 91 LEU QD1 . 17124 1 1069 . 1 1 91 91 LEU HD13 H 1 0.492 0.027 . 1 . . . . 91 LEU QD1 . 17124 1 1070 . 1 1 91 91 LEU HD21 H 1 0.090 0.027 . 1 . . . . 91 LEU QD2 . 17124 1 1071 . 1 1 91 91 LEU HD22 H 1 0.090 0.027 . 1 . . . . 91 LEU QD2 . 17124 1 1072 . 1 1 91 91 LEU HD23 H 1 0.090 0.027 . 1 . . . . 91 LEU QD2 . 17124 1 1073 . 1 1 91 91 LEU HG H 1 1.537 0.027 . 1 . . . . 91 LEU HG . 17124 1 1074 . 1 1 91 91 LEU C C 13 178.281 0.15 . 1 . . . . 91 LEU C . 17124 1 1075 . 1 1 91 91 LEU CA C 13 57.388 0.15 . 1 . . . . 91 LEU CA . 17124 1 1076 . 1 1 91 91 LEU CB C 13 41.410 0.15 . 1 . . . . 91 LEU CB . 17124 1 1077 . 1 1 91 91 LEU CD1 C 13 26.392 0.15 . 2 . . . . 91 LEU CD1 . 17124 1 1078 . 1 1 91 91 LEU CD2 C 13 22.698 0.15 . 2 . . . . 91 LEU CD2 . 17124 1 1079 . 1 1 91 91 LEU CG C 13 26.530 0.15 . 1 . . . . 91 LEU CG . 17124 1 1080 . 1 1 91 91 LEU N N 15 120.316 0.20 . 1 . . . . 91 LEU N . 17124 1 1081 . 1 1 92 92 ASP H H 1 7.979 0.027 . 1 . . . . 92 ASP H . 17124 1 1082 . 1 1 92 92 ASP HA H 1 4.293 0.027 . 1 . . . . 92 ASP HA . 17124 1 1083 . 1 1 92 92 ASP HB2 H 1 2.678 0.027 . 2 . . . . 92 ASP QB . 17124 1 1084 . 1 1 92 92 ASP HB3 H 1 2.678 0.027 . 2 . . . . 92 ASP QB . 17124 1 1085 . 1 1 92 92 ASP C C 13 177.021 0.15 . 1 . . . . 92 ASP C . 17124 1 1086 . 1 1 92 92 ASP CA C 13 57.109 0.15 . 1 . . . . 92 ASP CA . 17124 1 1087 . 1 1 92 92 ASP CB C 13 42.005 0.15 . 1 . . . . 92 ASP CB . 17124 1 1088 . 1 1 92 92 ASP N N 15 119.928 0.20 . 1 . . . . 92 ASP N . 17124 1 1089 . 1 1 93 93 ALA H H 1 6.870 0.027 . 1 . . . . 93 ALA H . 17124 1 1090 . 1 1 93 93 ALA HA H 1 4.028 0.027 . 1 . . . . 93 ALA HA . 17124 1 1091 . 1 1 93 93 ALA HB1 H 1 1.388 0.027 . 1 . . . . 93 ALA QB . 17124 1 1092 . 1 1 93 93 ALA HB2 H 1 1.388 0.027 . 1 . . . . 93 ALA QB . 17124 1 1093 . 1 1 93 93 ALA HB3 H 1 1.388 0.027 . 1 . . . . 93 ALA QB . 17124 1 1094 . 1 1 93 93 ALA C C 13 179.149 0.15 . 1 . . . . 93 ALA C . 17124 1 1095 . 1 1 93 93 ALA CA C 13 53.391 0.15 . 1 . . . . 93 ALA CA . 17124 1 1096 . 1 1 93 93 ALA CB C 13 18.197 0.15 . 1 . . . . 93 ALA CB . 17124 1 1097 . 1 1 93 93 ALA N N 15 116.457 0.20 . 1 . . . . 93 ALA N . 17124 1 1098 . 1 1 94 94 LEU H H 1 7.419 0.027 . 1 . . . . 94 LEU H . 17124 1 1099 . 1 1 94 94 LEU HA H 1 3.861 0.027 . 1 . . . . 94 LEU HA . 17124 1 1100 . 1 1 94 94 LEU HB2 H 1 1.335 0.027 . 2 . . . . 94 LEU HB2 . 17124 1 1101 . 1 1 94 94 LEU HB3 H 1 0.829 0.027 . 2 . . . . 94 LEU HB3 . 17124 1 1102 . 1 1 94 94 LEU HD11 H 1 0.208 0.027 . 1 . . . . 94 LEU QD1 . 17124 1 1103 . 1 1 94 94 LEU HD12 H 1 0.208 0.027 . 1 . . . . 94 LEU QD1 . 17124 1 1104 . 1 1 94 94 LEU HD13 H 1 0.208 0.027 . 1 . . . . 94 LEU QD1 . 17124 1 1105 . 1 1 94 94 LEU HD21 H 1 0.609 0.027 . 1 . . . . 94 LEU QD2 . 17124 1 1106 . 1 1 94 94 LEU HD22 H 1 0.609 0.027 . 1 . . . . 94 LEU QD2 . 17124 1 1107 . 1 1 94 94 LEU HD23 H 1 0.609 0.027 . 1 . . . . 94 LEU QD2 . 17124 1 1108 . 1 1 94 94 LEU HG H 1 0.302 0.027 . 1 . . . . 94 LEU HG . 17124 1 1109 . 1 1 94 94 LEU C C 13 175.803 0.15 . 1 . . . . 94 LEU C . 17124 1 1110 . 1 1 94 94 LEU CA C 13 55.849 0.15 . 1 . . . . 94 LEU CA . 17124 1 1111 . 1 1 94 94 LEU CB C 13 43.651 0.15 . 1 . . . . 94 LEU CB . 17124 1 1112 . 1 1 94 94 LEU CD1 C 13 25.225 0.15 . 2 . . . . 94 LEU CD1 . 17124 1 1113 . 1 1 94 94 LEU CD2 C 13 22.121 0.15 . 2 . . . . 94 LEU CD2 . 17124 1 1114 . 1 1 94 94 LEU CG C 13 26.004 0.15 . 1 . . . . 94 LEU CG . 17124 1 1115 . 1 1 94 94 LEU N N 15 120.089 0.20 . 1 . . . . 94 LEU N . 17124 1 1116 . 1 1 95 95 PHE H H 1 7.824 0.027 . 1 . . . . 95 PHE H . 17124 1 1117 . 1 1 95 95 PHE HA H 1 4.844 0.027 . 1 . . . . 95 PHE HA . 17124 1 1118 . 1 1 95 95 PHE HB2 H 1 2.825 0.027 . 2 . . . . 95 PHE HB2 . 17124 1 1119 . 1 1 95 95 PHE HB3 H 1 3.105 0.027 . 2 . . . . 95 PHE HB3 . 17124 1 1120 . 1 1 95 95 PHE HD1 H 1 7.089 0.027 . 3 . . . . 95 PHE QD . 17124 1 1121 . 1 1 95 95 PHE HD2 H 1 7.089 0.027 . 3 . . . . 95 PHE QD . 17124 1 1122 . 1 1 95 95 PHE HE1 H 1 7.219 0.027 . 3 . . . . 95 PHE QE . 17124 1 1123 . 1 1 95 95 PHE HE2 H 1 7.219 0.027 . 3 . . . . 95 PHE QE . 17124 1 1124 . 1 1 95 95 PHE CA C 13 54.725 0.15 . 1 . . . . 95 PHE CA . 17124 1 1125 . 1 1 95 95 PHE CB C 13 40.024 0.15 . 1 . . . . 95 PHE CB . 17124 1 1126 . 1 1 95 95 PHE CD1 C 13 131.901 0.15 . 3 . . . . 95 PHE CD1 . 17124 1 1127 . 1 1 95 95 PHE CD2 C 13 131.894 0.15 . 3 . . . . 95 PHE CD2 . 17124 1 1128 . 1 1 95 95 PHE CE1 C 13 131.836 0.15 . 3 . . . . 95 PHE CE1 . 17124 1 1129 . 1 1 95 95 PHE CE2 C 13 131.836 0.15 . 3 . . . . 95 PHE CE2 . 17124 1 1130 . 1 1 95 95 PHE N N 15 116.178 0.20 . 1 . . . . 95 PHE N . 17124 1 1131 . 1 1 96 96 PRO HA H 1 3.660 0.027 . 1 . . . . 96 PRO HA . 17124 1 1132 . 1 1 96 96 PRO HB2 H 1 1.570 0.027 . 2 . . . . 96 PRO HB2 . 17124 1 1133 . 1 1 96 96 PRO HB3 H 1 1.750 0.027 . 2 . . . . 96 PRO HB3 . 17124 1 1134 . 1 1 96 96 PRO HD2 H 1 3.264 0.027 . 2 . . . . 96 PRO HD2 . 17124 1 1135 . 1 1 96 96 PRO HD3 H 1 3.078 0.027 . 2 . . . . 96 PRO HD3 . 17124 1 1136 . 1 1 96 96 PRO HG2 H 1 1.850 0.027 . 2 . . . . 96 PRO HG2 . 17124 1 1137 . 1 1 96 96 PRO CA C 13 60.730 0.15 . 1 . . . . 96 PRO CA . 17124 1 1138 . 1 1 96 96 PRO CB C 13 30.610 0.15 . 1 . . . . 96 PRO CB . 17124 1 1139 . 1 1 96 96 PRO CD C 13 49.530 0.15 . 1 . . . . 96 PRO CD . 17124 1 1140 . 1 1 96 96 PRO CG C 13 27.070 0.15 . 1 . . . . 96 PRO CG . 17124 1 1141 . 1 1 97 97 VAL H H 1 8.210 0.027 . 1 . . . . 97 VAL H . 17124 1 1142 . 1 1 97 97 VAL HA H 1 3.319 0.027 . 1 . . . . 97 VAL HA . 17124 1 1143 . 1 1 97 97 VAL HB H 1 1.771 0.027 . 1 . . . . 97 VAL HB . 17124 1 1144 . 1 1 97 97 VAL HG11 H 1 0.821 0.027 . 2 . . . . 97 VAL QG1 . 17124 1 1145 . 1 1 97 97 VAL HG12 H 1 0.821 0.027 . 2 . . . . 97 VAL QG1 . 17124 1 1146 . 1 1 97 97 VAL HG13 H 1 0.821 0.027 . 2 . . . . 97 VAL QG1 . 17124 1 1147 . 1 1 97 97 VAL HG21 H 1 0.823 0.027 . 2 . . . . 97 VAL QG2 . 17124 1 1148 . 1 1 97 97 VAL HG22 H 1 0.823 0.027 . 2 . . . . 97 VAL QG2 . 17124 1 1149 . 1 1 97 97 VAL HG23 H 1 0.823 0.027 . 2 . . . . 97 VAL QG2 . 17124 1 1150 . 1 1 97 97 VAL CA C 13 64.793 0.15 . 1 . . . . 97 VAL CA . 17124 1 1151 . 1 1 97 97 VAL CB C 13 31.269 0.15 . 1 . . . . 97 VAL CB . 17124 1 1152 . 1 1 97 97 VAL CG1 C 13 22.729 0.15 . 2 . . . . 97 VAL CG1 . 17124 1 1153 . 1 1 97 97 VAL CG2 C 13 20.424 0.15 . 2 . . . . 97 VAL CG2 . 17124 1 1154 . 1 1 97 97 VAL N N 15 118.462 0.20 . 1 . . . . 97 VAL N . 17124 1 1155 . 1 1 98 98 ASN H H 1 8.792 0.027 . 1 . . . . 98 ASN H . 17124 1 1156 . 1 1 98 98 ASN HA H 1 4.142 0.027 . 1 . . . . 98 ASN HA . 17124 1 1157 . 1 1 98 98 ASN HB2 H 1 3.293 0.027 . 2 . . . . 98 ASN HB2 . 17124 1 1158 . 1 1 98 98 ASN HB3 H 1 2.931 0.027 . 2 . . . . 98 ASN HB3 . 17124 1 1159 . 1 1 98 98 ASN HD21 H 1 7.614 0.027 . 2 . . . . 98 ASN HD21 . 17124 1 1160 . 1 1 98 98 ASN HD22 H 1 6.923 0.027 . 2 . . . . 98 ASN HD22 . 17124 1 1161 . 1 1 98 98 ASN CA C 13 55.630 0.15 . 1 . . . . 98 ASN CA . 17124 1 1162 . 1 1 98 98 ASN CB C 13 37.029 0.15 . 1 . . . . 98 ASN CB . 17124 1 1163 . 1 1 98 98 ASN N N 15 118.138 0.20 . 1 . . . . 98 ASN N . 17124 1 1164 . 1 1 98 98 ASN ND2 N 15 114.234 0.20 . 1 . . . . 98 ASN ND2 . 17124 1 1165 . 1 1 99 99 LEU H H 1 8.039 0.027 . 1 . . . . 99 LEU H . 17124 1 1166 . 1 1 99 99 LEU HA H 1 4.110 0.027 . 1 . . . . 99 LEU HA . 17124 1 1167 . 1 1 99 99 LEU HB2 H 1 1.765 0.027 . 2 . . . . 99 LEU HB2 . 17124 1 1168 . 1 1 99 99 LEU HB3 H 1 1.649 0.027 . 2 . . . . 99 LEU HB3 . 17124 1 1169 . 1 1 99 99 LEU HD11 H 1 0.817 0.027 . 1 . . . . 99 LEU QD1 . 17124 1 1170 . 1 1 99 99 LEU HD12 H 1 0.817 0.027 . 1 . . . . 99 LEU QD1 . 17124 1 1171 . 1 1 99 99 LEU HD13 H 1 0.817 0.027 . 1 . . . . 99 LEU QD1 . 17124 1 1172 . 1 1 99 99 LEU HD21 H 1 0.849 0.027 . 1 . . . . 99 LEU QD2 . 17124 1 1173 . 1 1 99 99 LEU HD22 H 1 0.849 0.027 . 1 . . . . 99 LEU QD2 . 17124 1 1174 . 1 1 99 99 LEU HD23 H 1 0.849 0.027 . 1 . . . . 99 LEU QD2 . 17124 1 1175 . 1 1 99 99 LEU HG H 1 0.982 0.027 . 1 . . . . 99 LEU HG . 17124 1 1176 . 1 1 99 99 LEU C C 13 175.271 0.15 . 1 . . . . 99 LEU C . 17124 1 1177 . 1 1 99 99 LEU CA C 13 56.811 0.15 . 1 . . . . 99 LEU CA . 17124 1 1178 . 1 1 99 99 LEU CB C 13 42.683 0.15 . 1 . . . . 99 LEU CB . 17124 1 1179 . 1 1 99 99 LEU CD1 C 13 21.147 0.15 . 2 . . . . 99 LEU CD1 . 17124 1 1180 . 1 1 99 99 LEU CD2 C 13 22.745 0.15 . 2 . . . . 99 LEU CD2 . 17124 1 1181 . 1 1 99 99 LEU CG C 13 27.346 0.15 . 1 . . . . 99 LEU CG . 17124 1 1182 . 1 1 99 99 LEU N N 15 122.842 0.20 . 1 . . . . 99 LEU N . 17124 1 1183 . 1 1 100 100 VAL H H 1 8.199 0.027 . 1 . . . . 100 VAL H . 17124 1 1184 . 1 1 100 100 VAL HA H 1 4.740 0.027 . 1 . . . . 100 VAL HA . 17124 1 1185 . 1 1 100 100 VAL HB H 1 1.779 0.027 . 1 . . . . 100 VAL HB . 17124 1 1186 . 1 1 100 100 VAL HG11 H 1 0.815 0.027 . 1 . . . . 100 VAL QG1 . 17124 1 1187 . 1 1 100 100 VAL HG12 H 1 0.815 0.027 . 1 . . . . 100 VAL QG1 . 17124 1 1188 . 1 1 100 100 VAL HG13 H 1 0.815 0.027 . 1 . . . . 100 VAL QG1 . 17124 1 1189 . 1 1 100 100 VAL HG21 H 1 0.660 0.027 . 1 . . . . 100 VAL QG2 . 17124 1 1190 . 1 1 100 100 VAL HG22 H 1 0.660 0.027 . 1 . . . . 100 VAL QG2 . 17124 1 1191 . 1 1 100 100 VAL HG23 H 1 0.660 0.027 . 1 . . . . 100 VAL QG2 . 17124 1 1192 . 1 1 100 100 VAL C C 13 176.195 0.15 . 1 . . . . 100 VAL C . 17124 1 1193 . 1 1 100 100 VAL CA C 13 61.023 0.15 . 1 . . . . 100 VAL CA . 17124 1 1194 . 1 1 100 100 VAL CB C 13 33.559 0.15 . 1 . . . . 100 VAL CB . 17124 1 1195 . 1 1 100 100 VAL CG1 C 13 21.187 0.15 . 2 . . . . 100 VAL CG1 . 17124 1 1196 . 1 1 100 100 VAL CG2 C 13 21.780 0.15 . 2 . . . . 100 VAL CG2 . 17124 1 1197 . 1 1 100 100 VAL N N 15 125.944 0.20 . 1 . . . . 100 VAL N . 17124 1 1198 . 1 1 101 101 MET H H 1 9.310 0.027 . 1 . . . . 101 MET H . 17124 1 1199 . 1 1 101 101 MET HA H 1 4.372 0.027 . 1 . . . . 101 MET HA . 17124 1 1200 . 1 1 101 101 MET HB2 H 1 1.753 0.027 . 2 . . . . 101 MET HB2 . 17124 1 1201 . 1 1 101 101 MET HB3 H 1 1.644 0.027 . 2 . . . . 101 MET HB3 . 17124 1 1202 . 1 1 101 101 MET HE1 H 1 1.015 0.027 . 1 . . . . 101 MET QE . 17124 1 1203 . 1 1 101 101 MET HE2 H 1 1.015 0.027 . 1 . . . . 101 MET QE . 17124 1 1204 . 1 1 101 101 MET HE3 H 1 1.015 0.027 . 1 . . . . 101 MET QE . 17124 1 1205 . 1 1 101 101 MET HG2 H 1 1.874 0.027 . 2 . . . . 101 MET HG2 . 17124 1 1206 . 1 1 101 101 MET HG3 H 1 2.392 0.027 . 2 . . . . 101 MET HG3 . 17124 1 1207 . 1 1 101 101 MET C C 13 174.535 0.15 . 1 . . . . 101 MET C . 17124 1 1208 . 1 1 101 101 MET CA C 13 53.731 0.15 . 1 . . . . 101 MET CA . 17124 1 1209 . 1 1 101 101 MET CB C 13 35.833 0.15 . 1 . . . . 101 MET CB . 17124 1 1210 . 1 1 101 101 MET CE C 13 15.701 0.15 . 1 . . . . 101 MET CE . 17124 1 1211 . 1 1 101 101 MET CG C 13 31.459 0.15 . 1 . . . . 101 MET CG . 17124 1 1212 . 1 1 101 101 MET N N 15 127.242 0.20 . 1 . . . . 101 MET N . 17124 1 1213 . 1 1 102 102 GLN H H 1 8.657 0.027 . 1 . . . . 102 GLN H . 17124 1 1214 . 1 1 102 102 GLN HA H 1 4.685 0.027 . 1 . . . . 102 GLN HA . 17124 1 1215 . 1 1 102 102 GLN HB2 H 1 1.974 0.027 . 2 . . . . 102 GLN HB2 . 17124 1 1216 . 1 1 102 102 GLN HB3 H 1 1.840 0.027 . 2 . . . . 102 GLN HB3 . 17124 1 1217 . 1 1 102 102 GLN HE21 H 1 7.323 0.027 . 2 . . . . 102 GLN HE21 . 17124 1 1218 . 1 1 102 102 GLN HE22 H 1 6.703 0.027 . 2 . . . . 102 GLN HE22 . 17124 1 1219 . 1 1 102 102 GLN HG2 H 1 2.156 0.027 . 2 . . . . 102 GLN HG2 . 17124 1 1220 . 1 1 102 102 GLN HG3 H 1 2.199 0.027 . 2 . . . . 102 GLN HG3 . 17124 1 1221 . 1 1 102 102 GLN C C 13 176.270 0.15 . 1 . . . . 102 GLN C . 17124 1 1222 . 1 1 102 102 GLN CA C 13 55.308 0.15 . 1 . . . . 102 GLN CA . 17124 1 1223 . 1 1 102 102 GLN CB C 13 29.242 0.15 . 1 . . . . 102 GLN CB . 17124 1 1224 . 1 1 102 102 GLN CG C 13 33.692 0.15 . 1 . . . . 102 GLN CG . 17124 1 1225 . 1 1 102 102 GLN N N 15 123.383 0.20 . 1 . . . . 102 GLN N . 17124 1 1226 . 1 1 102 102 GLN NE2 N 15 111.373 0.20 . 1 . . . . 102 GLN NE2 . 17124 1 1227 . 1 1 103 103 SER H H 1 8.718 0.027 . 1 . . . . 103 SER H . 17124 1 1228 . 1 1 103 103 SER HA H 1 4.463 0.027 . 1 . . . . 103 SER HA . 17124 1 1229 . 1 1 103 103 SER HB2 H 1 3.278 0.027 . 2 . . . . 103 SER HB2 . 17124 1 1230 . 1 1 103 103 SER HB3 H 1 3.548 0.027 . 2 . . . . 103 SER HB3 . 17124 1 1231 . 1 1 103 103 SER C C 13 174.003 0.15 . 1 . . . . 103 SER C . 17124 1 1232 . 1 1 103 103 SER CA C 13 56.026 0.15 . 1 . . . . 103 SER CA . 17124 1 1233 . 1 1 103 103 SER CB C 13 63.567 0.15 . 1 . . . . 103 SER CB . 17124 1 1234 . 1 1 103 103 SER N N 15 120.061 0.20 . 1 . . . . 103 SER N . 17124 1 1235 . 1 1 104 104 GLY H H 1 8.784 0.027 . 1 . . . . 104 GLY H . 17124 1 1236 . 1 1 104 104 GLY HA2 H 1 3.832 0.027 . 2 . . . . 104 GLY HA2 . 17124 1 1237 . 1 1 104 104 GLY HA3 H 1 3.731 0.027 . 2 . . . . 104 GLY HA3 . 17124 1 1238 . 1 1 104 104 GLY C C 13 174.929 0.15 . 1 . . . . 104 GLY C . 17124 1 1239 . 1 1 104 104 GLY CA C 13 47.589 0.15 . 1 . . . . 104 GLY CA . 17124 1 1240 . 1 1 104 104 GLY N N 15 115.086 0.20 . 1 . . . . 104 GLY N . 17124 1 1241 . 1 1 105 105 GLY H H 1 8.354 0.027 . 1 . . . . 105 GLY H . 17124 1 1242 . 1 1 105 105 GLY HA2 H 1 3.871 0.027 . 2 . . . . 105 GLY HA2 . 17124 1 1243 . 1 1 105 105 GLY HA3 H 1 3.929 0.027 . 2 . . . . 105 GLY HA3 . 17124 1 1244 . 1 1 105 105 GLY C C 13 173.178 0.15 . 1 . . . . 105 GLY C . 17124 1 1245 . 1 1 105 105 GLY CA C 13 45.315 0.15 . 1 . . . . 105 GLY CA . 17124 1 1246 . 1 1 105 105 GLY N N 15 110.767 0.20 . 1 . . . . 105 GLY N . 17124 1 1247 . 1 1 106 106 LEU H H 1 7.924 0.027 . 1 . . . . 106 LEU H . 17124 1 1248 . 1 1 106 106 LEU HA H 1 4.749 0.027 . 1 . . . . 106 LEU HA . 17124 1 1249 . 1 1 106 106 LEU HB2 H 1 1.488 0.027 . 2 . . . . 106 LEU HB2 . 17124 1 1250 . 1 1 106 106 LEU HB3 H 1 1.325 0.027 . 2 . . . . 106 LEU HB3 . 17124 1 1251 . 1 1 106 106 LEU HD11 H 1 0.597 0.027 . 2 . . . . 106 LEU QD1 . 17124 1 1252 . 1 1 106 106 LEU HD12 H 1 0.597 0.027 . 2 . . . . 106 LEU QD1 . 17124 1 1253 . 1 1 106 106 LEU HD13 H 1 0.597 0.027 . 2 . . . . 106 LEU QD1 . 17124 1 1254 . 1 1 106 106 LEU HD21 H 1 0.598 0.027 . 2 . . . . 106 LEU QD2 . 17124 1 1255 . 1 1 106 106 LEU HD22 H 1 0.598 0.027 . 2 . . . . 106 LEU QD2 . 17124 1 1256 . 1 1 106 106 LEU HD23 H 1 0.598 0.027 . 2 . . . . 106 LEU QD2 . 17124 1 1257 . 1 1 106 106 LEU HG H 1 1.690 0.027 . 1 . . . . 106 LEU HG . 17124 1 1258 . 1 1 106 106 LEU C C 13 174.386 0.15 . 1 . . . . 106 LEU C . 17124 1 1259 . 1 1 106 106 LEU CA C 13 53.669 0.15 . 1 . . . . 106 LEU CA . 17124 1 1260 . 1 1 106 106 LEU CB C 13 43.848 0.15 . 1 . . . . 106 LEU CB . 17124 1 1261 . 1 1 106 106 LEU CD1 C 13 25.773 0.15 . 2 . . . . 106 LEU CD1 . 17124 1 1262 . 1 1 106 106 LEU CD2 C 13 25.684 0.15 . 2 . . . . 106 LEU CD2 . 17124 1 1263 . 1 1 106 106 LEU CG C 13 26.355 0.15 . 1 . . . . 106 LEU CG . 17124 1 1264 . 1 1 106 106 LEU N N 15 120.125 0.20 . 1 . . . . 106 LEU N . 17124 1 1265 . 1 1 107 107 ALA H H 1 8.499 0.027 . 1 . . . . 107 ALA H . 17124 1 1266 . 1 1 107 107 ALA HA H 1 4.830 0.027 . 1 . . . . 107 ALA HA . 17124 1 1267 . 1 1 107 107 ALA HB1 H 1 1.088 0.027 . 1 . . . . 107 ALA QB . 17124 1 1268 . 1 1 107 107 ALA HB2 H 1 1.088 0.027 . 1 . . . . 107 ALA QB . 17124 1 1269 . 1 1 107 107 ALA HB3 H 1 1.088 0.027 . 1 . . . . 107 ALA QB . 17124 1 1270 . 1 1 107 107 ALA C C 13 175.596 0.15 . 1 . . . . 107 ALA C . 17124 1 1271 . 1 1 107 107 ALA CA C 13 50.365 0.15 . 1 . . . . 107 ALA CA . 17124 1 1272 . 1 1 107 107 ALA CB C 13 20.763 0.15 . 1 . . . . 107 ALA CB . 17124 1 1273 . 1 1 107 107 ALA N N 15 123.603 0.20 . 1 . . . . 107 ALA N . 17124 1 1274 . 1 1 108 108 VAL H H 1 8.798 0.027 . 1 . . . . 108 VAL H . 17124 1 1275 . 1 1 108 108 VAL HA H 1 4.458 0.027 . 1 . . . . 108 VAL HA . 17124 1 1276 . 1 1 108 108 VAL HB H 1 1.635 0.027 . 1 . . . . 108 VAL HB . 17124 1 1277 . 1 1 108 108 VAL HG11 H 1 0.430 0.027 . 1 . . . . 108 VAL QG1 . 17124 1 1278 . 1 1 108 108 VAL HG12 H 1 0.430 0.027 . 1 . . . . 108 VAL QG1 . 17124 1 1279 . 1 1 108 108 VAL HG13 H 1 0.430 0.027 . 1 . . . . 108 VAL QG1 . 17124 1 1280 . 1 1 108 108 VAL HG21 H 1 0.609 0.027 . 1 . . . . 108 VAL QG2 . 17124 1 1281 . 1 1 108 108 VAL HG22 H 1 0.609 0.027 . 1 . . . . 108 VAL QG2 . 17124 1 1282 . 1 1 108 108 VAL HG23 H 1 0.609 0.027 . 1 . . . . 108 VAL QG2 . 17124 1 1283 . 1 1 108 108 VAL C C 13 173.688 0.15 . 1 . . . . 108 VAL C . 17124 1 1284 . 1 1 108 108 VAL CA C 13 61.206 0.15 . 1 . . . . 108 VAL CA . 17124 1 1285 . 1 1 108 108 VAL CB C 13 33.136 0.15 . 1 . . . . 108 VAL CB . 17124 1 1286 . 1 1 108 108 VAL CG1 C 13 22.030 0.15 . 2 . . . . 108 VAL CG1 . 17124 1 1287 . 1 1 108 108 VAL CG2 C 13 21.535 0.15 . 2 . . . . 108 VAL CG2 . 17124 1 1288 . 1 1 108 108 VAL N N 15 124.871 0.20 . 1 . . . . 108 VAL N . 17124 1 1289 . 1 1 109 109 ARG H H 1 9.269 0.027 . 1 . . . . 109 ARG H . 17124 1 1290 . 1 1 109 109 ARG HA H 1 5.669 0.027 . 1 . . . . 109 ARG HA . 17124 1 1291 . 1 1 109 109 ARG HB2 H 1 2.003 0.027 . 2 . . . . 109 ARG HB2 . 17124 1 1292 . 1 1 109 109 ARG HB3 H 1 1.589 0.027 . 2 . . . . 109 ARG HB3 . 17124 1 1293 . 1 1 109 109 ARG HD2 H 1 3.154 0.027 . 2 . . . . 109 ARG HD2 . 17124 1 1294 . 1 1 109 109 ARG HD3 H 1 3.018 0.027 . 2 . . . . 109 ARG HD3 . 17124 1 1295 . 1 1 109 109 ARG HG2 H 1 1.378 0.027 . 2 . . . . 109 ARG HG2 . 17124 1 1296 . 1 1 109 109 ARG HG3 H 1 1.186 0.027 . 2 . . . . 109 ARG HG3 . 17124 1 1297 . 1 1 109 109 ARG C C 13 176.633 0.15 . 1 . . . . 109 ARG C . 17124 1 1298 . 1 1 109 109 ARG CA C 13 53.271 0.15 . 1 . . . . 109 ARG CA . 17124 1 1299 . 1 1 109 109 ARG CB C 13 34.217 0.15 . 1 . . . . 109 ARG CB . 17124 1 1300 . 1 1 109 109 ARG CD C 13 43.290 0.15 . 1 . . . . 109 ARG CD . 17124 1 1301 . 1 1 109 109 ARG CG C 13 26.979 0.15 . 1 . . . . 109 ARG CG . 17124 1 1302 . 1 1 109 109 ARG N N 15 128.240 0.20 . 1 . . . . 109 ARG N . 17124 1 1303 . 1 1 110 110 VAL H H 1 8.557 0.027 . 1 . . . . 110 VAL H . 17124 1 1304 . 1 1 110 110 VAL HA H 1 3.929 0.027 . 1 . . . . 110 VAL HA . 17124 1 1305 . 1 1 110 110 VAL HB H 1 2.396 0.027 . 1 . . . . 110 VAL HB . 17124 1 1306 . 1 1 110 110 VAL HG11 H 1 1.068 0.027 . 1 . . . . 110 VAL QG1 . 17124 1 1307 . 1 1 110 110 VAL HG12 H 1 1.068 0.027 . 1 . . . . 110 VAL QG1 . 17124 1 1308 . 1 1 110 110 VAL HG13 H 1 1.068 0.027 . 1 . . . . 110 VAL QG1 . 17124 1 1309 . 1 1 110 110 VAL C C 13 175.510 0.15 . 1 . . . . 110 VAL C . 17124 1 1310 . 1 1 110 110 VAL CA C 13 64.527 0.15 . 1 . . . . 110 VAL CA . 17124 1 1311 . 1 1 110 110 VAL CB C 13 31.345 0.15 . 1 . . . . 110 VAL CB . 17124 1 1312 . 1 1 110 110 VAL CG1 C 13 22.107 0.15 . 2 . . . . 110 VAL CG1 . 17124 1 1313 . 1 1 110 110 VAL N N 15 125.417 0.20 . 1 . . . . 110 VAL N . 17124 1 1314 . 1 1 111 111 ARG H H 1 9.260 0.027 . 1 . . . . 111 ARG H . 17124 1 1315 . 1 1 111 111 ARG HA H 1 4.547 0.027 . 1 . . . . 111 ARG HA . 17124 1 1316 . 1 1 111 111 ARG HB2 H 1 1.635 0.027 . 2 . . . . 111 ARG HB2 . 17124 1 1317 . 1 1 111 111 ARG HD2 H 1 3.197 0.027 . 2 . . . . 111 ARG HD2 . 17124 1 1318 . 1 1 111 111 ARG HD3 H 1 3.099 0.027 . 2 . . . . 111 ARG HD3 . 17124 1 1319 . 1 1 111 111 ARG HG2 H 1 1.541 0.027 . 2 . . . . 111 ARG HG2 . 17124 1 1320 . 1 1 111 111 ARG HG3 H 1 1.459 0.027 . 2 . . . . 111 ARG HG3 . 17124 1 1321 . 1 1 111 111 ARG C C 13 175.919 0.15 . 1 . . . . 111 ARG C . 17124 1 1322 . 1 1 111 111 ARG CA C 13 55.868 0.15 . 1 . . . . 111 ARG CA . 17124 1 1323 . 1 1 111 111 ARG CB C 13 32.359 0.15 . 1 . . . . 111 ARG CB . 17124 1 1324 . 1 1 111 111 ARG CD C 13 42.054 0.15 . 1 . . . . 111 ARG CD . 17124 1 1325 . 1 1 111 111 ARG CG C 13 27.022 0.15 . 1 . . . . 111 ARG CG . 17124 1 1326 . 1 1 111 111 ARG N N 15 130.319 0.20 . 1 . . . . 111 ARG N . 17124 1 1327 . 1 1 112 112 THR H H 1 7.964 0.027 . 1 . . . . 112 THR H . 17124 1 1328 . 1 1 112 112 THR HA H 1 4.858 0.027 . 1 . . . . 112 THR HA . 17124 1 1329 . 1 1 112 112 THR HB H 1 4.323 0.027 . 1 . . . . 112 THR HB . 17124 1 1330 . 1 1 112 112 THR HG21 H 1 1.109 0.027 . 1 . . . . 112 THR QG2 . 17124 1 1331 . 1 1 112 112 THR HG22 H 1 1.109 0.027 . 1 . . . . 112 THR QG2 . 17124 1 1332 . 1 1 112 112 THR HG23 H 1 1.109 0.027 . 1 . . . . 112 THR QG2 . 17124 1 1333 . 1 1 112 112 THR CA C 13 57.978 0.15 . 1 . . . . 112 THR CA . 17124 1 1334 . 1 1 112 112 THR CB C 13 68.842 0.15 . 1 . . . . 112 THR CB . 17124 1 1335 . 1 1 112 112 THR CG2 C 13 21.369 0.15 . 1 . . . . 112 THR CG2 . 17124 1 1336 . 1 1 112 112 THR N N 15 111.884 0.20 . 1 . . . . 112 THR N . 17124 1 1337 . 1 1 113 113 PRO HA H 1 4.606 0.027 . 1 . . . . 113 PRO HA . 17124 1 1338 . 1 1 113 113 PRO HB2 H 1 2.049 0.027 . 2 . . . . 113 PRO HB2 . 17124 1 1339 . 1 1 113 113 PRO HB3 H 1 2.321 0.027 . 2 . . . . 113 PRO HB3 . 17124 1 1340 . 1 1 113 113 PRO HD2 H 1 3.587 0.027 . 2 . . . . 113 PRO HD2 . 17124 1 1341 . 1 1 113 113 PRO HD3 H 1 3.658 0.027 . 2 . . . . 113 PRO HD3 . 17124 1 1342 . 1 1 113 113 PRO HG2 H 1 1.939 0.027 . 2 . . . . 113 PRO HG2 . 17124 1 1343 . 1 1 113 113 PRO HG3 H 1 1.867 0.027 . 2 . . . . 113 PRO HG3 . 17124 1 1344 . 1 1 113 113 PRO C C 13 177.285 0.15 . 1 . . . . 113 PRO C . 17124 1 1345 . 1 1 113 113 PRO CA C 13 62.035 0.15 . 1 . . . . 113 PRO CA . 17124 1 1346 . 1 1 113 113 PRO CB C 13 33.322 0.15 . 1 . . . . 113 PRO CB . 17124 1 1347 . 1 1 113 113 PRO CD C 13 50.528 0.15 . 1 . . . . 113 PRO CD . 17124 1 1348 . 1 1 113 113 PRO CG C 13 27.122 0.15 . 1 . . . . 113 PRO CG . 17124 1 1349 . 1 1 114 114 ILE H H 1 9.003 0.027 . 1 . . . . 114 ILE H . 17124 1 1350 . 1 1 114 114 ILE HA H 1 4.212 0.027 . 1 . . . . 114 ILE HA . 17124 1 1351 . 1 1 114 114 ILE HB H 1 1.893 0.027 . 1 . . . . 114 ILE HB . 17124 1 1352 . 1 1 114 114 ILE HD11 H 1 0.621 0.027 . 1 . . . . 114 ILE QD1 . 17124 1 1353 . 1 1 114 114 ILE HD12 H 1 0.621 0.027 . 1 . . . . 114 ILE QD1 . 17124 1 1354 . 1 1 114 114 ILE HD13 H 1 0.621 0.027 . 1 . . . . 114 ILE QD1 . 17124 1 1355 . 1 1 114 114 ILE HG12 H 1 1.484 0.027 . 2 . . . . 114 ILE HG12 . 17124 1 1356 . 1 1 114 114 ILE HG13 H 1 1.383 0.027 . 2 . . . . 114 ILE HG13 . 17124 1 1357 . 1 1 114 114 ILE HG21 H 1 0.786 0.027 . 1 . . . . 114 ILE QG2 . 17124 1 1358 . 1 1 114 114 ILE HG22 H 1 0.786 0.027 . 1 . . . . 114 ILE QG2 . 17124 1 1359 . 1 1 114 114 ILE HG23 H 1 0.786 0.027 . 1 . . . . 114 ILE QG2 . 17124 1 1360 . 1 1 114 114 ILE C C 13 176.672 0.15 . 1 . . . . 114 ILE C . 17124 1 1361 . 1 1 114 114 ILE CA C 13 60.468 0.15 . 1 . . . . 114 ILE CA . 17124 1 1362 . 1 1 114 114 ILE CB C 13 37.186 0.15 . 1 . . . . 114 ILE CB . 17124 1 1363 . 1 1 114 114 ILE CD1 C 13 12.009 0.15 . 1 . . . . 114 ILE CD1 . 17124 1 1364 . 1 1 114 114 ILE CG1 C 13 27.098 0.15 . 1 . . . . 114 ILE CG1 . 17124 1 1365 . 1 1 114 114 ILE CG2 C 13 17.232 0.15 . 1 . . . . 114 ILE CG2 . 17124 1 1366 . 1 1 114 114 ILE N N 15 121.378 0.20 . 1 . . . . 114 ILE N . 17124 1 1367 . 1 1 115 115 SER H H 1 8.948 0.027 . 1 . . . . 115 SER H . 17124 1 1368 . 1 1 115 115 SER HA H 1 4.662 0.027 . 1 . . . . 115 SER HA . 17124 1 1369 . 1 1 115 115 SER HB2 H 1 3.675 0.027 . 2 . . . . 115 SER HB2 . 17124 1 1370 . 1 1 115 115 SER C C 13 173.462 0.15 . 1 . . . . 115 SER C . 17124 1 1371 . 1 1 115 115 SER CA C 13 56.951 0.15 . 1 . . . . 115 SER CA . 17124 1 1372 . 1 1 115 115 SER CB C 13 65.238 0.15 . 1 . . . . 115 SER CB . 17124 1 1373 . 1 1 115 115 SER N N 15 120.715 0.20 . 1 . . . . 115 SER N . 17124 1 1374 . 1 1 116 116 ASN H H 1 8.706 0.027 . 1 . . . . 116 ASN H . 17124 1 1375 . 1 1 116 116 ASN HA H 1 4.921 0.027 . 1 . . . . 116 ASN HA . 17124 1 1376 . 1 1 116 116 ASN HB2 H 1 2.582 0.027 . 2 . . . . 116 ASN QB . 17124 1 1377 . 1 1 116 116 ASN HB3 H 1 2.582 0.027 . 2 . . . . 116 ASN QB . 17124 1 1378 . 1 1 116 116 ASN HD21 H 1 7.300 0.027 . 2 . . . . 116 ASN HD21 . 17124 1 1379 . 1 1 116 116 ASN HD22 H 1 6.369 0.027 . 2 . . . . 116 ASN HD22 . 17124 1 1380 . 1 1 116 116 ASN C C 13 175.751 0.15 . 1 . . . . 116 ASN C . 17124 1 1381 . 1 1 116 116 ASN CA C 13 53.162 0.15 . 1 . . . . 116 ASN CA . 17124 1 1382 . 1 1 116 116 ASN CB C 13 39.209 0.15 . 1 . . . . 116 ASN CB . 17124 1 1383 . 1 1 116 116 ASN N N 15 123.404 0.20 . 1 . . . . 116 ASN N . 17124 1 1384 . 1 1 116 116 ASN ND2 N 15 110.300 0.20 . 1 . . . . 116 ASN ND2 . 17124 1 1385 . 1 1 117 117 GLY H H 1 8.501 0.027 . 1 . . . . 117 GLY H . 17124 1 1386 . 1 1 117 117 GLY HA2 H 1 4.348 0.027 . 2 . . . . 117 GLY HA2 . 17124 1 1387 . 1 1 117 117 GLY HA3 H 1 3.482 0.027 . 2 . . . . 117 GLY HA3 . 17124 1 1388 . 1 1 117 117 GLY CA C 13 43.538 0.15 . 1 . . . . 117 GLY CA . 17124 1 1389 . 1 1 117 117 GLY N N 15 111.221 0.20 . 1 . . . . 117 GLY N . 17124 1 1390 . 1 1 118 118 GLN H H 1 8.262 0.027 . 1 . . . . 118 GLN H . 17124 1 1391 . 1 1 118 118 GLN HA H 1 4.465 0.027 . 1 . . . . 118 GLN HA . 17124 1 1392 . 1 1 118 118 GLN HB2 H 1 1.868 0.027 . 2 . . . . 118 GLN HB2 . 17124 1 1393 . 1 1 118 118 GLN HB3 H 1 1.934 0.027 . 2 . . . . 118 GLN HB3 . 17124 1 1394 . 1 1 118 118 GLN HE21 H 1 6.833 0.027 . 2 . . . . 118 GLN HE21 . 17124 1 1395 . 1 1 118 118 GLN HE22 H 1 7.551 0.027 . 2 . . . . 118 GLN HE22 . 17124 1 1396 . 1 1 118 118 GLN HG2 H 1 2.331 0.027 . 2 . . . . 118 GLN QG . 17124 1 1397 . 1 1 118 118 GLN HG3 H 1 2.331 0.027 . 2 . . . . 118 GLN QG . 17124 1 1398 . 1 1 118 118 GLN CA C 13 53.341 0.15 . 1 . . . . 118 GLN CA . 17124 1 1399 . 1 1 118 118 GLN CB C 13 28.926 0.15 . 1 . . . . 118 GLN CB . 17124 1 1400 . 1 1 118 118 GLN CG C 13 33.305 0.15 . 1 . . . . 118 GLN CG . 17124 1 1401 . 1 1 118 118 GLN N N 15 120.084 0.20 . 1 . . . . 118 GLN N . 17124 1 1402 . 1 1 118 118 GLN NE2 N 15 112.891 0.20 . 1 . . . . 118 GLN NE2 . 17124 1 1403 . 1 1 119 119 PRO HA H 1 4.798 0.027 . 1 . . . . 119 PRO HA . 17124 1 1404 . 1 1 119 119 PRO HB2 H 1 2.095 0.027 . 2 . . . . 119 PRO HB2 . 17124 1 1405 . 1 1 119 119 PRO HB3 H 1 1.777 0.027 . 2 . . . . 119 PRO HB3 . 17124 1 1406 . 1 1 119 119 PRO HD2 H 1 3.583 0.027 . 2 . . . . 119 PRO HD2 . 17124 1 1407 . 1 1 119 119 PRO HD3 H 1 4.022 0.027 . 2 . . . . 119 PRO HD3 . 17124 1 1408 . 1 1 119 119 PRO HG2 H 1 1.903 0.027 . 2 . . . . 119 PRO HG2 . 17124 1 1409 . 1 1 119 119 PRO HG3 H 1 2.037 0.027 . 2 . . . . 119 PRO HG3 . 17124 1 1410 . 1 1 119 119 PRO C C 13 177.100 0.15 . 1 . . . . 119 PRO C . 17124 1 1411 . 1 1 119 119 PRO CA C 13 62.618 0.15 . 1 . . . . 119 PRO CA . 17124 1 1412 . 1 1 119 119 PRO CB C 13 33.095 0.15 . 1 . . . . 119 PRO CB . 17124 1 1413 . 1 1 119 119 PRO CD C 13 50.807 0.15 . 1 . . . . 119 PRO CD . 17124 1 1414 . 1 1 119 119 PRO CG C 13 27.249 0.15 . 1 . . . . 119 PRO CG . 17124 1 1415 . 1 1 120 120 THR H H 1 8.659 0.027 . 1 . . . . 120 THR H . 17124 1 1416 . 1 1 120 120 THR HA H 1 4.556 0.027 . 1 . . . . 120 THR HA . 17124 1 1417 . 1 1 120 120 THR HB H 1 4.073 0.027 . 1 . . . . 120 THR HB . 17124 1 1418 . 1 1 120 120 THR HG21 H 1 1.066 0.027 . 1 . . . . 120 THR QG2 . 17124 1 1419 . 1 1 120 120 THR HG22 H 1 1.066 0.027 . 1 . . . . 120 THR QG2 . 17124 1 1420 . 1 1 120 120 THR HG23 H 1 1.066 0.027 . 1 . . . . 120 THR QG2 . 17124 1 1421 . 1 1 120 120 THR C C 13 174.020 0.15 . 1 . . . . 120 THR C . 17124 1 1422 . 1 1 120 120 THR CA C 13 60.633 0.15 . 1 . . . . 120 THR CA . 17124 1 1423 . 1 1 120 120 THR CB C 13 71.009 0.15 . 1 . . . . 120 THR CB . 17124 1 1424 . 1 1 120 120 THR CG2 C 13 21.474 0.15 . 1 . . . . 120 THR CG2 . 17124 1 1425 . 1 1 120 120 THR N N 15 113.937 0.20 . 1 . . . . 120 THR N . 17124 1 1426 . 1 1 121 121 THR H H 1 8.618 0.027 . 1 . . . . 121 THR H . 17124 1 1427 . 1 1 121 121 THR HA H 1 4.720 0.027 . 1 . . . . 121 THR HA . 17124 1 1428 . 1 1 121 121 THR HB H 1 4.069 0.027 . 1 . . . . 121 THR HB . 17124 1 1429 . 1 1 121 121 THR HG21 H 1 1.258 0.027 . 1 . . . . 121 THR QG2 . 17124 1 1430 . 1 1 121 121 THR HG22 H 1 1.258 0.027 . 1 . . . . 121 THR QG2 . 17124 1 1431 . 1 1 121 121 THR HG23 H 1 1.258 0.027 . 1 . . . . 121 THR QG2 . 17124 1 1432 . 1 1 121 121 THR C C 13 174.372 0.15 . 1 . . . . 121 THR C . 17124 1 1433 . 1 1 121 121 THR CA C 13 62.382 0.15 . 1 . . . . 121 THR CA . 17124 1 1434 . 1 1 121 121 THR CB C 13 70.822 0.15 . 1 . . . . 121 THR CB . 17124 1 1435 . 1 1 121 121 THR CG2 C 13 21.971 0.15 . 1 . . . . 121 THR CG2 . 17124 1 1436 . 1 1 121 121 THR N N 15 119.278 0.20 . 1 . . . . 121 THR N . 17124 1 1437 . 1 1 122 122 GLY H H 1 8.502 0.027 . 1 . . . . 122 GLY H . 17124 1 1438 . 1 1 122 122 GLY HA2 H 1 3.866 0.027 . 2 . . . . 122 GLY HA2 . 17124 1 1439 . 1 1 122 122 GLY HA3 H 1 4.379 0.027 . 2 . . . . 122 GLY HA3 . 17124 1 1440 . 1 1 122 122 GLY C C 13 173.184 0.15 . 1 . . . . 122 GLY C . 17124 1 1441 . 1 1 122 122 GLY CA C 13 44.192 0.15 . 1 . . . . 122 GLY CA . 17124 1 1442 . 1 1 122 122 GLY N N 15 115.832 0.20 . 1 . . . . 122 GLY N . 17124 1 1443 . 1 1 123 123 ASP H H 1 8.308 0.027 . 1 . . . . 123 ASP H . 17124 1 1444 . 1 1 123 123 ASP HA H 1 4.371 0.027 . 1 . . . . 123 ASP HA . 17124 1 1445 . 1 1 123 123 ASP HB2 H 1 2.610 0.027 . 2 . . . . 123 ASP HB2 . 17124 1 1446 . 1 1 123 123 ASP HB3 H 1 2.529 0.027 . 2 . . . . 123 ASP HB3 . 17124 1 1447 . 1 1 123 123 ASP C C 13 176.933 0.15 . 1 . . . . 123 ASP C . 17124 1 1448 . 1 1 123 123 ASP CA C 13 55.963 0.15 . 1 . . . . 123 ASP CA . 17124 1 1449 . 1 1 123 123 ASP CB C 13 40.746 0.15 . 1 . . . . 123 ASP CB . 17124 1 1450 . 1 1 123 123 ASP N N 15 119.551 0.20 . 1 . . . . 123 ASP N . 17124 1 1451 . 1 1 124 124 ALA H H 1 8.510 0.027 . 1 . . . . 124 ALA H . 17124 1 1452 . 1 1 124 124 ALA HA H 1 4.440 0.027 . 1 . . . . 124 ALA HA . 17124 1 1453 . 1 1 124 124 ALA HB1 H 1 1.318 0.027 . 1 . . . . 124 ALA QB . 17124 1 1454 . 1 1 124 124 ALA HB2 H 1 1.318 0.027 . 1 . . . . 124 ALA QB . 17124 1 1455 . 1 1 124 124 ALA HB3 H 1 1.318 0.027 . 1 . . . . 124 ALA QB . 17124 1 1456 . 1 1 124 124 ALA C C 13 176.756 0.15 . 1 . . . . 124 ALA C . 17124 1 1457 . 1 1 124 124 ALA CA C 13 51.864 0.15 . 1 . . . . 124 ALA CA . 17124 1 1458 . 1 1 124 124 ALA CB C 13 20.314 0.15 . 1 . . . . 124 ALA CB . 17124 1 1459 . 1 1 124 124 ALA N N 15 119.758 0.20 . 1 . . . . 124 ALA N . 17124 1 1460 . 1 1 125 125 ASP H H 1 7.558 0.027 . 1 . . . . 125 ASP H . 17124 1 1461 . 1 1 125 125 ASP HA H 1 4.904 0.027 . 1 . . . . 125 ASP HA . 17124 1 1462 . 1 1 125 125 ASP HB2 H 1 2.536 0.027 . 2 . . . . 125 ASP HB2 . 17124 1 1463 . 1 1 125 125 ASP HB3 H 1 2.489 0.027 . 2 . . . . 125 ASP HB3 . 17124 1 1464 . 1 1 125 125 ASP C C 13 173.964 0.15 . 1 . . . . 125 ASP C . 17124 1 1465 . 1 1 125 125 ASP CA C 13 53.144 0.15 . 1 . . . . 125 ASP CA . 17124 1 1466 . 1 1 125 125 ASP CB C 13 43.681 0.15 . 1 . . . . 125 ASP CB . 17124 1 1467 . 1 1 125 125 ASP N N 15 116.881 0.20 . 1 . . . . 125 ASP N . 17124 1 1468 . 1 1 126 126 HIS H H 1 8.912 0.027 . 1 . . . . 126 HIS H . 17124 1 1469 . 1 1 126 126 HIS HA H 1 5.134 0.027 . 1 . . . . 126 HIS HA . 17124 1 1470 . 1 1 126 126 HIS HB2 H 1 3.127 0.027 . 2 . . . . 126 HIS HB2 . 17124 1 1471 . 1 1 126 126 HIS HB3 H 1 2.983 0.027 . 2 . . . . 126 HIS HB3 . 17124 1 1472 . 1 1 126 126 HIS HD2 H 1 7.093 0.027 . 1 . . . . 126 HIS HD2 . 17124 1 1473 . 1 1 126 126 HIS HE1 H 1 8.509 0.027 . 1 . . . . 126 HIS HE1 . 17124 1 1474 . 1 1 126 126 HIS CA C 13 55.037 0.15 . 1 . . . . 126 HIS CA . 17124 1 1475 . 1 1 126 126 HIS CB C 13 31.275 0.15 . 1 . . . . 126 HIS CB . 17124 1 1476 . 1 1 126 126 HIS CD2 C 13 120.131 0.15 . 1 . . . . 126 HIS CD2 . 17124 1 1477 . 1 1 126 126 HIS N N 15 118.411 0.20 . 1 . . . . 126 HIS N . 17124 1 1478 . 1 1 127 127 THR H H 1 8.513 0.027 . 1 . . . . 127 THR H . 17124 1 1479 . 1 1 127 127 THR HA H 1 5.228 0.027 . 1 . . . . 127 THR HA . 17124 1 1480 . 1 1 127 127 THR HB H 1 3.718 0.027 . 1 . . . . 127 THR HB . 17124 1 1481 . 1 1 127 127 THR HG21 H 1 0.770 0.027 . 1 . . . . 127 THR QG2 . 17124 1 1482 . 1 1 127 127 THR HG22 H 1 0.770 0.027 . 1 . . . . 127 THR QG2 . 17124 1 1483 . 1 1 127 127 THR HG23 H 1 0.770 0.027 . 1 . . . . 127 THR QG2 . 17124 1 1484 . 1 1 127 127 THR CA C 13 61.512 0.15 . 1 . . . . 127 THR CA . 17124 1 1485 . 1 1 127 127 THR CB C 13 70.849 0.15 . 1 . . . . 127 THR CB . 17124 1 1486 . 1 1 127 127 THR CG2 C 13 21.378 0.15 . 1 . . . . 127 THR CG2 . 17124 1 1487 . 1 1 127 127 THR N N 15 119.920 0.20 . 1 . . . . 127 THR N . 17124 1 1488 . 1 1 128 128 VAL H H 1 8.606 0.027 . 1 . . . . 128 VAL H . 17124 1 1489 . 1 1 128 128 VAL HA H 1 4.305 0.027 . 1 . . . . 128 VAL HA . 17124 1 1490 . 1 1 128 128 VAL HB H 1 1.763 0.027 . 1 . . . . 128 VAL HB . 17124 1 1491 . 1 1 128 128 VAL HG11 H 1 0.750 0.027 . 2 . . . . 128 VAL QG1 . 17124 1 1492 . 1 1 128 128 VAL HG12 H 1 0.750 0.027 . 2 . . . . 128 VAL QG1 . 17124 1 1493 . 1 1 128 128 VAL HG13 H 1 0.750 0.027 . 2 . . . . 128 VAL QG1 . 17124 1 1494 . 1 1 128 128 VAL HG21 H 1 0.739 0.027 . 2 . . . . 128 VAL QG2 . 17124 1 1495 . 1 1 128 128 VAL HG22 H 1 0.739 0.027 . 2 . . . . 128 VAL QG2 . 17124 1 1496 . 1 1 128 128 VAL HG23 H 1 0.739 0.027 . 2 . . . . 128 VAL QG2 . 17124 1 1497 . 1 1 128 128 VAL CA C 13 59.084 0.15 . 1 . . . . 128 VAL CA . 17124 1 1498 . 1 1 128 128 VAL CB C 13 34.898 0.15 . 1 . . . . 128 VAL CB . 17124 1 1499 . 1 1 128 128 VAL CG1 C 13 20.288 0.15 . 2 . . . . 128 VAL CG1 . 17124 1 1500 . 1 1 128 128 VAL CG2 C 13 21.486 0.15 . 2 . . . . 128 VAL CG2 . 17124 1 1501 . 1 1 128 128 VAL N N 15 125.704 0.20 . 1 . . . . 128 VAL N . 17124 1 1502 . 1 1 129 129 PRO HA H 1 4.998 0.027 . 1 . . . . 129 PRO HA . 17124 1 1503 . 1 1 129 129 PRO HB2 H 1 1.890 0.027 . 2 . . . . 129 PRO HB2 . 17124 1 1504 . 1 1 129 129 PRO HB3 H 1 1.601 0.027 . 2 . . . . 129 PRO HB3 . 17124 1 1505 . 1 1 129 129 PRO HD2 H 1 3.597 0.027 . 2 . . . . 129 PRO HD2 . 17124 1 1506 . 1 1 129 129 PRO HD3 H 1 3.334 0.027 . 2 . . . . 129 PRO HD3 . 17124 1 1507 . 1 1 129 129 PRO HG2 H 1 1.890 0.027 . 2 . . . . 129 PRO QG . 17124 1 1508 . 1 1 129 129 PRO HG3 H 1 1.890 0.027 . 2 . . . . 129 PRO QG . 17124 1 1509 . 1 1 129 129 PRO C C 13 176.353 0.15 . 1 . . . . 129 PRO C . 17124 1 1510 . 1 1 129 129 PRO CA C 13 61.591 0.15 . 1 . . . . 129 PRO CA . 17124 1 1511 . 1 1 129 129 PRO CB C 13 32.054 0.15 . 1 . . . . 129 PRO CB . 17124 1 1512 . 1 1 129 129 PRO CD C 13 51.247 0.15 . 1 . . . . 129 PRO CD . 17124 1 1513 . 1 1 129 129 PRO CG C 13 27.083 0.15 . 1 . . . . 129 PRO CG . 17124 1 1514 . 1 1 130 130 ILE H H 1 8.843 0.027 . 1 . . . . 130 ILE H . 17124 1 1515 . 1 1 130 130 ILE HA H 1 4.744 0.027 . 1 . . . . 130 ILE HA . 17124 1 1516 . 1 1 130 130 ILE HB H 1 1.793 0.027 . 1 . . . . 130 ILE HB . 17124 1 1517 . 1 1 130 130 ILE HD11 H 1 0.613 0.027 . 1 . . . . 130 ILE QD1 . 17124 1 1518 . 1 1 130 130 ILE HD12 H 1 0.613 0.027 . 1 . . . . 130 ILE QD1 . 17124 1 1519 . 1 1 130 130 ILE HD13 H 1 0.613 0.027 . 1 . . . . 130 ILE QD1 . 17124 1 1520 . 1 1 130 130 ILE HG12 H 1 1.450 0.027 . 2 . . . . 130 ILE HG12 . 17124 1 1521 . 1 1 130 130 ILE HG13 H 1 1.000 0.027 . 2 . . . . 130 ILE HG13 . 17124 1 1522 . 1 1 130 130 ILE HG21 H 1 0.727 0.027 . 1 . . . . 130 ILE QG2 . 17124 1 1523 . 1 1 130 130 ILE HG22 H 1 0.727 0.027 . 1 . . . . 130 ILE QG2 . 17124 1 1524 . 1 1 130 130 ILE HG23 H 1 0.727 0.027 . 1 . . . . 130 ILE QG2 . 17124 1 1525 . 1 1 130 130 ILE C C 13 174.914 0.15 . 1 . . . . 130 ILE C . 17124 1 1526 . 1 1 130 130 ILE CA C 13 60.031 0.15 . 1 . . . . 130 ILE CA . 17124 1 1527 . 1 1 130 130 ILE CB C 13 39.838 0.15 . 1 . . . . 130 ILE CB . 17124 1 1528 . 1 1 130 130 ILE CD1 C 13 14.311 0.15 . 1 . . . . 130 ILE CD1 . 17124 1 1529 . 1 1 130 130 ILE CG1 C 13 26.880 0.15 . 1 . . . . 130 ILE CG1 . 17124 1 1530 . 1 1 130 130 ILE CG2 C 13 18.902 0.15 . 1 . . . . 130 ILE CG2 . 17124 1 1531 . 1 1 130 130 ILE N N 15 125.155 0.20 . 1 . . . . 130 ILE N . 17124 1 1532 . 1 1 131 131 SER H H 1 8.638 0.027 . 1 . . . . 131 SER H . 17124 1 1533 . 1 1 131 131 SER HA H 1 5.561 0.027 . 1 . . . . 131 SER HA . 17124 1 1534 . 1 1 131 131 SER HB2 H 1 3.591 0.027 . 2 . . . . 131 SER HB2 . 17124 1 1535 . 1 1 131 131 SER HB3 H 1 3.519 0.027 . 2 . . . . 131 SER HB3 . 17124 1 1536 . 1 1 131 131 SER C C 13 172.116 0.15 . 1 . . . . 131 SER C . 17124 1 1537 . 1 1 131 131 SER CA C 13 56.879 0.15 . 1 . . . . 131 SER CA . 17124 1 1538 . 1 1 131 131 SER CB C 13 67.163 0.15 . 1 . . . . 131 SER CB . 17124 1 1539 . 1 1 131 131 SER N N 15 117.913 0.20 . 1 . . . . 131 SER N . 17124 1 1540 . 1 1 132 132 LEU H H 1 8.913 0.027 . 1 . . . . 132 LEU H . 17124 1 1541 . 1 1 132 132 LEU HA H 1 4.559 0.027 . 1 . . . . 132 LEU HA . 17124 1 1542 . 1 1 132 132 LEU HB2 H 1 2.177 0.027 . 2 . . . . 132 LEU HB2 . 17124 1 1543 . 1 1 132 132 LEU HB3 H 1 1.632 0.027 . 2 . . . . 132 LEU HB3 . 17124 1 1544 . 1 1 132 132 LEU HD11 H 1 0.775 0.027 . 1 . . . . 132 LEU QD1 . 17124 1 1545 . 1 1 132 132 LEU HD12 H 1 0.775 0.027 . 1 . . . . 132 LEU QD1 . 17124 1 1546 . 1 1 132 132 LEU HD13 H 1 0.775 0.027 . 1 . . . . 132 LEU QD1 . 17124 1 1547 . 1 1 132 132 LEU HD21 H 1 1.012 0.027 . 1 . . . . 132 LEU QD2 . 17124 1 1548 . 1 1 132 132 LEU HD22 H 1 1.012 0.027 . 1 . . . . 132 LEU QD2 . 17124 1 1549 . 1 1 132 132 LEU HD23 H 1 1.012 0.027 . 1 . . . . 132 LEU QD2 . 17124 1 1550 . 1 1 132 132 LEU HG H 1 1.903 0.027 . 1 . . . . 132 LEU HG . 17124 1 1551 . 1 1 132 132 LEU C C 13 174.935 0.15 . 1 . . . . 132 LEU C . 17124 1 1552 . 1 1 132 132 LEU CA C 13 54.167 0.15 . 1 . . . . 132 LEU CA . 17124 1 1553 . 1 1 132 132 LEU CB C 13 44.411 0.15 . 1 . . . . 132 LEU CB . 17124 1 1554 . 1 1 132 132 LEU CD1 C 13 27.917 0.15 . 2 . . . . 132 LEU CD1 . 17124 1 1555 . 1 1 132 132 LEU CD2 C 13 25.572 0.15 . 2 . . . . 132 LEU CD2 . 17124 1 1556 . 1 1 132 132 LEU CG C 13 24.955 0.15 . 1 . . . . 132 LEU CG . 17124 1 1557 . 1 1 132 132 LEU N N 15 117.076 0.20 . 1 . . . . 132 LEU N . 17124 1 1558 . 1 1 133 133 GLY H H 1 8.179 0.027 . 1 . . . . 133 GLY H . 17124 1 1559 . 1 1 133 133 GLY HA2 H 1 3.580 0.027 . 2 . . . . 133 GLY HA2 . 17124 1 1560 . 1 1 133 133 GLY HA3 H 1 5.008 0.027 . 2 . . . . 133 GLY HA3 . 17124 1 1561 . 1 1 133 133 GLY C C 13 172.746 0.15 . 1 . . . . 133 GLY C . 17124 1 1562 . 1 1 133 133 GLY CA C 13 44.021 0.15 . 1 . . . . 133 GLY CA . 17124 1 1563 . 1 1 133 133 GLY N N 15 108.976 0.20 . 1 . . . . 133 GLY N . 17124 1 1564 . 1 1 134 134 TYR H H 1 8.498 0.027 . 1 . . . . 134 TYR H . 17124 1 1565 . 1 1 134 134 TYR HA H 1 5.947 0.027 . 1 . . . . 134 TYR HA . 17124 1 1566 . 1 1 134 134 TYR HB2 H 1 3.315 0.027 . 2 . . . . 134 TYR HB2 . 17124 1 1567 . 1 1 134 134 TYR HB3 H 1 2.456 0.027 . 2 . . . . 134 TYR HB3 . 17124 1 1568 . 1 1 134 134 TYR HD1 H 1 6.304 0.027 . 3 . . . . 134 TYR QD . 17124 1 1569 . 1 1 134 134 TYR HD2 H 1 6.304 0.027 . 3 . . . . 134 TYR QD . 17124 1 1570 . 1 1 134 134 TYR HE1 H 1 6.700 0.027 . 3 . . . . 134 TYR QE . 17124 1 1571 . 1 1 134 134 TYR HE2 H 1 6.700 0.027 . 3 . . . . 134 TYR QE . 17124 1 1572 . 1 1 134 134 TYR C C 13 174.075 0.15 . 1 . . . . 134 TYR C . 17124 1 1573 . 1 1 134 134 TYR CA C 13 55.397 0.15 . 1 . . . . 134 TYR CA . 17124 1 1574 . 1 1 134 134 TYR CB C 13 43.181 0.15 . 1 . . . . 134 TYR CB . 17124 1 1575 . 1 1 134 134 TYR CD1 C 13 128.482 0.15 . 3 . . . . 134 TYR CD1 . 17124 1 1576 . 1 1 134 134 TYR CD2 C 13 128.482 0.15 . 3 . . . . 134 TYR CD2 . 17124 1 1577 . 1 1 134 134 TYR CE1 C 13 118.188 0.15 . 3 . . . . 134 TYR CE1 . 17124 1 1578 . 1 1 134 134 TYR CE2 C 13 118.188 0.15 . 3 . . . . 134 TYR CE2 . 17124 1 1579 . 1 1 134 134 TYR N N 15 121.568 0.20 . 1 . . . . 134 TYR N . 17124 1 1580 . 1 1 135 135 ASP H H 1 9.529 0.027 . 1 . . . . 135 ASP H . 17124 1 1581 . 1 1 135 135 ASP HA H 1 5.339 0.027 . 1 . . . . 135 ASP HA . 17124 1 1582 . 1 1 135 135 ASP HB2 H 1 2.914 0.027 . 2 . . . . 135 ASP HB2 . 17124 1 1583 . 1 1 135 135 ASP HB3 H 1 2.672 0.027 . 2 . . . . 135 ASP HB3 . 17124 1 1584 . 1 1 135 135 ASP C C 13 174.690 0.15 . 1 . . . . 135 ASP C . 17124 1 1585 . 1 1 135 135 ASP CA C 13 53.003 0.15 . 1 . . . . 135 ASP CA . 17124 1 1586 . 1 1 135 135 ASP CB C 13 44.414 0.15 . 1 . . . . 135 ASP CB . 17124 1 1587 . 1 1 135 135 ASP N N 15 121.050 0.20 . 1 . . . . 135 ASP N . 17124 1 1588 . 1 1 136 136 VAL H H 1 8.091 0.027 . 1 . . . . 136 VAL H . 17124 1 1589 . 1 1 136 136 VAL HA H 1 5.071 0.027 . 1 . . . . 136 VAL HA . 17124 1 1590 . 1 1 136 136 VAL HB H 1 1.925 0.027 . 1 . . . . 136 VAL HB . 17124 1 1591 . 1 1 136 136 VAL HG11 H 1 0.974 0.027 . 1 . . . . 136 VAL QG1 . 17124 1 1592 . 1 1 136 136 VAL HG12 H 1 0.974 0.027 . 1 . . . . 136 VAL QG1 . 17124 1 1593 . 1 1 136 136 VAL HG13 H 1 0.974 0.027 . 1 . . . . 136 VAL QG1 . 17124 1 1594 . 1 1 136 136 VAL HG21 H 1 0.640 0.027 . 1 . . . . 136 VAL QG2 . 17124 1 1595 . 1 1 136 136 VAL HG22 H 1 0.640 0.027 . 1 . . . . 136 VAL QG2 . 17124 1 1596 . 1 1 136 136 VAL HG23 H 1 0.640 0.027 . 1 . . . . 136 VAL QG2 . 17124 1 1597 . 1 1 136 136 VAL CA C 13 60.858 0.15 . 1 . . . . 136 VAL CA . 17124 1 1598 . 1 1 136 136 VAL CB C 13 35.243 0.15 . 1 . . . . 136 VAL CB . 17124 1 1599 . 1 1 136 136 VAL CG1 C 13 22.202 0.15 . 2 . . . . 136 VAL CG1 . 17124 1 1600 . 1 1 136 136 VAL CG2 C 13 22.438 0.15 . 2 . . . . 136 VAL CG2 . 17124 1 1601 . 1 1 136 136 VAL N N 15 117.484 0.20 . 1 . . . . 136 VAL N . 17124 1 1602 . 1 1 137 137 GLN H H 1 8.691 0.027 . 1 . . . . 137 GLN H . 17124 1 1603 . 1 1 137 137 GLN HA H 1 4.558 0.027 . 1 . . . . 137 GLN HA . 17124 1 1604 . 1 1 137 137 GLN HB2 H 1 1.906 0.027 . 2 . . . . 137 GLN HB2 . 17124 1 1605 . 1 1 137 137 GLN HB3 H 1 1.813 0.027 . 2 . . . . 137 GLN HB3 . 17124 1 1606 . 1 1 137 137 GLN HE21 H 1 7.210 0.027 . 2 . . . . 137 GLN HE21 . 17124 1 1607 . 1 1 137 137 GLN HE22 H 1 6.507 0.027 . 2 . . . . 137 GLN HE22 . 17124 1 1608 . 1 1 137 137 GLN HG2 H 1 2.163 0.027 . 2 . . . . 137 GLN QG . 17124 1 1609 . 1 1 137 137 GLN HG3 H 1 2.163 0.027 . 2 . . . . 137 GLN QG . 17124 1 1610 . 1 1 137 137 GLN CA C 13 54.397 0.15 . 1 . . . . 137 GLN CA . 17124 1 1611 . 1 1 137 137 GLN CB C 13 32.048 0.15 . 1 . . . . 137 GLN CB . 17124 1 1612 . 1 1 137 137 GLN CG C 13 33.588 0.15 . 1 . . . . 137 GLN CG . 17124 1 1613 . 1 1 137 137 GLN N N 15 125.392 0.20 . 1 . . . . 137 GLN N . 17124 1 1614 . 1 1 137 137 GLN NE2 N 15 110.700 0.20 . 1 . . . . 137 GLN NE2 . 17124 1 1615 . 1 1 138 138 PHE H H 1 8.541 0.027 . 1 . . . . 138 PHE H . 17124 1 1616 . 1 1 138 138 PHE HA H 1 4.626 0.027 . 1 . . . . 138 PHE HA . 17124 1 1617 . 1 1 138 138 PHE HB2 H 1 2.829 0.027 . 2 . . . . 138 PHE HB2 . 17124 1 1618 . 1 1 138 138 PHE HB3 H 1 2.977 0.027 . 2 . . . . 138 PHE HB3 . 17124 1 1619 . 1 1 138 138 PHE HD1 H 1 7.129 0.027 . 3 . . . . 138 PHE QD . 17124 1 1620 . 1 1 138 138 PHE HD2 H 1 7.129 0.027 . 3 . . . . 138 PHE QD . 17124 1 1621 . 1 1 138 138 PHE HE1 H 1 6.973 0.027 . 3 . . . . 138 PHE QE . 17124 1 1622 . 1 1 138 138 PHE HE2 H 1 6.973 0.027 . 3 . . . . 138 PHE QE . 17124 1 1623 . 1 1 138 138 PHE CA C 13 57.858 0.15 . 1 . . . . 138 PHE CA . 17124 1 1624 . 1 1 138 138 PHE CB C 13 39.993 0.15 . 1 . . . . 138 PHE CB . 17124 1 1625 . 1 1 138 138 PHE CD1 C 13 131.675 0.15 . 3 . . . . 138 PHE CD1 . 17124 1 1626 . 1 1 138 138 PHE CD2 C 13 131.675 0.15 . 3 . . . . 138 PHE CD2 . 17124 1 1627 . 1 1 138 138 PHE CE1 C 13 129.330 0.15 . 3 . . . . 138 PHE CE1 . 17124 1 1628 . 1 1 138 138 PHE CE2 C 13 129.330 0.15 . 3 . . . . 138 PHE CE2 . 17124 1 1629 . 1 1 138 138 PHE N N 15 121.457 0.20 . 1 . . . . 138 PHE N . 17124 1 1630 . 1 1 139 139 TYR H H 1 8.203 0.027 . 1 . . . . 139 TYR H . 17124 1 1631 . 1 1 139 139 TYR HB2 H 1 2.692 0.027 . 2 . . . . 139 TYR HB2 . 17124 1 1632 . 1 1 139 139 TYR HB3 H 1 2.950 0.027 . 2 . . . . 139 TYR HB3 . 17124 1 1633 . 1 1 139 139 TYR HD1 H 1 6.955 0.027 . 3 . . . . 139 TYR QD . 17124 1 1634 . 1 1 139 139 TYR HD2 H 1 6.955 0.027 . 3 . . . . 139 TYR QD . 17124 1 1635 . 1 1 139 139 TYR HE1 H 1 6.640 0.027 . 3 . . . . 139 TYR QE . 17124 1 1636 . 1 1 139 139 TYR HE2 H 1 6.640 0.027 . 3 . . . . 139 TYR QE . 17124 1 1637 . 1 1 139 139 TYR CB C 13 38.354 0.15 . 1 . . . . 139 TYR CB . 17124 1 1638 . 1 1 139 139 TYR CD1 C 13 133.156 0.15 . 3 . . . . 139 TYR CD1 . 17124 1 1639 . 1 1 139 139 TYR CD2 C 13 133.156 0.15 . 3 . . . . 139 TYR CD2 . 17124 1 1640 . 1 1 139 139 TYR CE1 C 13 117.954 0.15 . 3 . . . . 139 TYR CE1 . 17124 1 1641 . 1 1 139 139 TYR CE2 C 13 117.954 0.15 . 3 . . . . 139 TYR CE2 . 17124 1 1642 . 1 1 139 139 TYR N N 15 122.969 0.20 . 1 . . . . 139 TYR N . 17124 1 1643 . 1 1 140 140 PRO HA H 1 4.332 0.027 . 1 . . . . 140 PRO HA . 17124 1 1644 . 1 1 140 140 PRO CA C 13 63.526 0.15 . 1 . . . . 140 PRO CA . 17124 1 1645 . 1 1 141 141 GLU H H 1 7.909 0.027 . 1 . . . . 141 GLU H . 17124 1 1646 . 1 1 141 141 GLU HA H 1 4.048 0.027 . 1 . . . . 141 GLU HA . 17124 1 1647 . 1 1 141 141 GLU HB2 H 1 1.987 0.027 . 2 . . . . 141 GLU QB . 17124 1 1648 . 1 1 141 141 GLU HB3 H 1 1.987 0.027 . 2 . . . . 141 GLU QB . 17124 1 1649 . 1 1 141 141 GLU HG2 H 1 2.178 0.027 . 2 . . . . 141 GLU QG . 17124 1 1650 . 1 1 141 141 GLU HG3 H 1 2.178 0.027 . 2 . . . . 141 GLU QG . 17124 1 1651 . 1 1 141 141 GLU CA C 13 57.962 0.15 . 1 . . . . 141 GLU CA . 17124 1 1652 . 1 1 141 141 GLU CB C 13 31.173 0.15 . 1 . . . . 141 GLU CB . 17124 1 1653 . 1 1 141 141 GLU CG C 13 36.703 0.15 . 1 . . . . 141 GLU CG . 17124 1 1654 . 1 1 141 141 GLU N N 15 126.557 0.20 . 1 . . . . 141 GLU N . 17124 1 stop_ save_