data_26580 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26580 _Entry.Title ; Structure of herpesvirus nuclear egress complex subunit M50 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-06-01 _Entry.Accession_date 2015-06-01 _Entry.Last_release_date 2015-07-13 _Entry.Original_release_date 2015-07-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Solution-state NMR structure of residues 1 to 168 of nuclear egress subunit M50 from murine cytomegalovirus' _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.ORCID _Entry_author.Entry_ID 1 Kendra Leigh . E. . . 26580 2 Andras Boeszoermenyi . . . . 26580 3 My Mansueto . S. . . 26580 4 Mayuri Sharma . . . . 26580 5 David Filman . J. . . 26580 6 Donald Coen . M. . . 26580 7 Gerhard Wagner . . . . 26580 8 James Hogle . M. . . 26580 9 Haribabu Arthanari . . . . 26580 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26580 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . Hogle . 26580 2 . Wagner . 26580 3 . Coen . 26580 4 . ARTHANARIGroup . 26580 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 26580 'VIRAL PROTEIN' . 26580 cytomegalovirus . 26580 herpesvirus . 26580 'nuclear egress' . 26580 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 26580 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 707 26580 '15N chemical shifts' 162 26580 '1H chemical shifts' 1205 26580 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 . . 2017-01-13 2015-06-01 update BMRB 'update entry citation' 26580 1 . . 2015-07-13 2015-06-01 original author 'original release' 26580 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5a3g 'PDBe entry' 26580 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26580 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26150520 _Citation.Full_citation . _Citation.Title ; Structure of a herpesvirus nuclear egress complex subunit reveals an interaction groove that is essential for viral replication ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 112 _Citation.Journal_issue 29 _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 9010 _Citation.Page_last 9015 _Citation.Year 2015 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kendra Leigh . E. . . 26580 1 2 Mayuri Sharma . . . . 26580 1 3 'My Sam' Mansueto . . . . 26580 1 4 Andras Boeszoermenyi . . . . 26580 1 5 David Filman . J. . . 26580 1 6 James Hogle . M. . . 26580 1 7 Gerhard Wagner . . . . 26580 1 8 Donald Coen . M. . . 26580 1 9 Haribabu Arthanari . . . . 26580 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26580 _Assembly.ID 1 _Assembly.Name 'nuclear egress subunit M50 from murine cytomegalovirus' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 19379.2143 _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 M50 1 $M50 A . yes native no no . . . 26580 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_M50 _Entity.Sf_category entity _Entity.Sf_framecode M50 _Entity.Entry_ID 26580 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name M50 _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 ; AGHMEIDKNVGADLISNTRR ILRLDENELRITDTALICKN PNYSLCDAMLTTDIVYPVEY LLSYWECRSGRTACFVFKNT GCRVSLSCYIGFPERLKDLK RVCDFNFLSVNEALVVTLAD IERIKPCDKGVLTNCVVRKS NSGMSYNIEVVAFGPDNEAE YQALLRDIYAR ; _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 171 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'RESIDUES 1-168' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19379.2143 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes UNP H2A365_MUHV1 . H2A365 . . . . . . . . . . . . . . 26580 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 . ALA . 26580 1 2 . GLY . 26580 1 3 . HIS . 26580 1 4 . MET . 26580 1 5 . GLU . 26580 1 6 . ILE . 26580 1 7 . ASP . 26580 1 8 . LYS . 26580 1 9 . ASN . 26580 1 10 . VAL . 26580 1 11 . GLY . 26580 1 12 . ALA . 26580 1 13 . ASP . 26580 1 14 . LEU . 26580 1 15 . ILE . 26580 1 16 . SER . 26580 1 17 . ASN . 26580 1 18 . THR . 26580 1 19 . ARG . 26580 1 20 . ARG . 26580 1 21 . ILE . 26580 1 22 . LEU . 26580 1 23 . ARG . 26580 1 24 . LEU . 26580 1 25 . ASP . 26580 1 26 . GLU . 26580 1 27 . ASN . 26580 1 28 . GLU . 26580 1 29 . LEU . 26580 1 30 . ARG . 26580 1 31 . ILE . 26580 1 32 . THR . 26580 1 33 . ASP . 26580 1 34 . THR . 26580 1 35 . ALA . 26580 1 36 . LEU . 26580 1 37 . ILE . 26580 1 38 . CYS . 26580 1 39 . LYS . 26580 1 40 . ASN . 26580 1 41 . PRO . 26580 1 42 . ASN . 26580 1 43 . TYR . 26580 1 44 . SER . 26580 1 45 . LEU . 26580 1 46 . CYS . 26580 1 47 . ASP . 26580 1 48 . ALA . 26580 1 49 . MET . 26580 1 50 . LEU . 26580 1 51 . THR . 26580 1 52 . THR . 26580 1 53 . ASP . 26580 1 54 . ILE . 26580 1 55 . VAL . 26580 1 56 . TYR . 26580 1 57 . PRO . 26580 1 58 . VAL . 26580 1 59 . GLU . 26580 1 60 . TYR . 26580 1 61 . LEU . 26580 1 62 . LEU . 26580 1 63 . SER . 26580 1 64 . TYR . 26580 1 65 . TRP . 26580 1 66 . GLU . 26580 1 67 . CYS . 26580 1 68 . ARG . 26580 1 69 . SER . 26580 1 70 . GLY . 26580 1 71 . ARG . 26580 1 72 . THR . 26580 1 73 . ALA . 26580 1 74 . CYS . 26580 1 75 . PHE . 26580 1 76 . VAL . 26580 1 77 . PHE . 26580 1 78 . LYS . 26580 1 79 . ASN . 26580 1 80 . THR . 26580 1 81 . GLY . 26580 1 82 . CYS . 26580 1 83 . ARG . 26580 1 84 . VAL . 26580 1 85 . SER . 26580 1 86 . LEU . 26580 1 87 . SER . 26580 1 88 . CYS . 26580 1 89 . TYR . 26580 1 90 . ILE . 26580 1 91 . GLY . 26580 1 92 . PHE . 26580 1 93 . PRO . 26580 1 94 . GLU . 26580 1 95 . ARG . 26580 1 96 . LEU . 26580 1 97 . LYS . 26580 1 98 . ASP . 26580 1 99 . LEU . 26580 1 100 . LYS . 26580 1 101 . ARG . 26580 1 102 . VAL . 26580 1 103 . CYS . 26580 1 104 . ASP . 26580 1 105 . PHE . 26580 1 106 . ASN . 26580 1 107 . PHE . 26580 1 108 . LEU . 26580 1 109 . SER . 26580 1 110 . VAL . 26580 1 111 . ASN . 26580 1 112 . GLU . 26580 1 113 . ALA . 26580 1 114 . LEU . 26580 1 115 . VAL . 26580 1 116 . VAL . 26580 1 117 . THR . 26580 1 118 . LEU . 26580 1 119 . ALA . 26580 1 120 . ASP . 26580 1 121 . ILE . 26580 1 122 . GLU . 26580 1 123 . ARG . 26580 1 124 . ILE . 26580 1 125 . LYS . 26580 1 126 . PRO . 26580 1 127 . CYS . 26580 1 128 . ASP . 26580 1 129 . LYS . 26580 1 130 . GLY . 26580 1 131 . VAL . 26580 1 132 . LEU . 26580 1 133 . THR . 26580 1 134 . ASN . 26580 1 135 . CYS . 26580 1 136 . VAL . 26580 1 137 . VAL . 26580 1 138 . ARG . 26580 1 139 . LYS . 26580 1 140 . SER . 26580 1 141 . ASN . 26580 1 142 . SER . 26580 1 143 . GLY . 26580 1 144 . MET . 26580 1 145 . SER . 26580 1 146 . TYR . 26580 1 147 . ASN . 26580 1 148 . ILE . 26580 1 149 . GLU . 26580 1 150 . VAL . 26580 1 151 . VAL . 26580 1 152 . ALA . 26580 1 153 . PHE . 26580 1 154 . GLY . 26580 1 155 . PRO . 26580 1 156 . ASP . 26580 1 157 . ASN . 26580 1 158 . GLU . 26580 1 159 . ALA . 26580 1 160 . GLU . 26580 1 161 . TYR . 26580 1 162 . GLN . 26580 1 163 . ALA . 26580 1 164 . LEU . 26580 1 165 . LEU . 26580 1 166 . ARG . 26580 1 167 . ASP . 26580 1 168 . ILE . 26580 1 169 . TYR . 26580 1 170 . ALA . 26580 1 171 . ARG . 26580 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 . ALA 1 1 26580 1 . GLY 2 2 26580 1 . HIS 3 3 26580 1 . MET 4 4 26580 1 . GLU 5 5 26580 1 . ILE 6 6 26580 1 . ASP 7 7 26580 1 . LYS 8 8 26580 1 . ASN 9 9 26580 1 . VAL 10 10 26580 1 . GLY 11 11 26580 1 . ALA 12 12 26580 1 . ASP 13 13 26580 1 . LEU 14 14 26580 1 . ILE 15 15 26580 1 . SER 16 16 26580 1 . ASN 17 17 26580 1 . THR 18 18 26580 1 . ARG 19 19 26580 1 . ARG 20 20 26580 1 . ILE 21 21 26580 1 . LEU 22 22 26580 1 . ARG 23 23 26580 1 . LEU 24 24 26580 1 . ASP 25 25 26580 1 . GLU 26 26 26580 1 . ASN 27 27 26580 1 . GLU 28 28 26580 1 . LEU 29 29 26580 1 . ARG 30 30 26580 1 . ILE 31 31 26580 1 . THR 32 32 26580 1 . ASP 33 33 26580 1 . THR 34 34 26580 1 . ALA 35 35 26580 1 . LEU 36 36 26580 1 . ILE 37 37 26580 1 . CYS 38 38 26580 1 . LYS 39 39 26580 1 . ASN 40 40 26580 1 . PRO 41 41 26580 1 . ASN 42 42 26580 1 . TYR 43 43 26580 1 . SER 44 44 26580 1 . LEU 45 45 26580 1 . CYS 46 46 26580 1 . ASP 47 47 26580 1 . ALA 48 48 26580 1 . MET 49 49 26580 1 . LEU 50 50 26580 1 . THR 51 51 26580 1 . THR 52 52 26580 1 . ASP 53 53 26580 1 . ILE 54 54 26580 1 . VAL 55 55 26580 1 . TYR 56 56 26580 1 . PRO 57 57 26580 1 . VAL 58 58 26580 1 . GLU 59 59 26580 1 . TYR 60 60 26580 1 . LEU 61 61 26580 1 . LEU 62 62 26580 1 . SER 63 63 26580 1 . TYR 64 64 26580 1 . TRP 65 65 26580 1 . GLU 66 66 26580 1 . CYS 67 67 26580 1 . ARG 68 68 26580 1 . SER 69 69 26580 1 . GLY 70 70 26580 1 . ARG 71 71 26580 1 . THR 72 72 26580 1 . ALA 73 73 26580 1 . CYS 74 74 26580 1 . PHE 75 75 26580 1 . VAL 76 76 26580 1 . PHE 77 77 26580 1 . LYS 78 78 26580 1 . ASN 79 79 26580 1 . THR 80 80 26580 1 . GLY 81 81 26580 1 . CYS 82 82 26580 1 . ARG 83 83 26580 1 . VAL 84 84 26580 1 . SER 85 85 26580 1 . LEU 86 86 26580 1 . SER 87 87 26580 1 . CYS 88 88 26580 1 . TYR 89 89 26580 1 . ILE 90 90 26580 1 . GLY 91 91 26580 1 . PHE 92 92 26580 1 . PRO 93 93 26580 1 . GLU 94 94 26580 1 . ARG 95 95 26580 1 . LEU 96 96 26580 1 . LYS 97 97 26580 1 . ASP 98 98 26580 1 . LEU 99 99 26580 1 . LYS 100 100 26580 1 . ARG 101 101 26580 1 . VAL 102 102 26580 1 . CYS 103 103 26580 1 . ASP 104 104 26580 1 . PHE 105 105 26580 1 . ASN 106 106 26580 1 . PHE 107 107 26580 1 . LEU 108 108 26580 1 . SER 109 109 26580 1 . VAL 110 110 26580 1 . ASN 111 111 26580 1 . GLU 112 112 26580 1 . ALA 113 113 26580 1 . LEU 114 114 26580 1 . VAL 115 115 26580 1 . VAL 116 116 26580 1 . THR 117 117 26580 1 . LEU 118 118 26580 1 . ALA 119 119 26580 1 . ASP 120 120 26580 1 . ILE 121 121 26580 1 . GLU 122 122 26580 1 . ARG 123 123 26580 1 . ILE 124 124 26580 1 . LYS 125 125 26580 1 . PRO 126 126 26580 1 . CYS 127 127 26580 1 . ASP 128 128 26580 1 . LYS 129 129 26580 1 . GLY 130 130 26580 1 . VAL 131 131 26580 1 . LEU 132 132 26580 1 . THR 133 133 26580 1 . ASN 134 134 26580 1 . CYS 135 135 26580 1 . VAL 136 136 26580 1 . VAL 137 137 26580 1 . ARG 138 138 26580 1 . LYS 139 139 26580 1 . SER 140 140 26580 1 . ASN 141 141 26580 1 . SER 142 142 26580 1 . GLY 143 143 26580 1 . MET 144 144 26580 1 . SER 145 145 26580 1 . TYR 146 146 26580 1 . ASN 147 147 26580 1 . ILE 148 148 26580 1 . GLU 149 149 26580 1 . VAL 150 150 26580 1 . VAL 151 151 26580 1 . ALA 152 152 26580 1 . PHE 153 153 26580 1 . GLY 154 154 26580 1 . PRO 155 155 26580 1 . ASP 156 156 26580 1 . ASN 157 157 26580 1 . GLU 158 158 26580 1 . ALA 159 159 26580 1 . GLU 160 160 26580 1 . TYR 161 161 26580 1 . GLN 162 162 26580 1 . ALA 163 163 26580 1 . LEU 164 164 26580 1 . LEU 165 165 26580 1 . ARG 166 166 26580 1 . ASP 167 167 26580 1 . ILE 168 168 26580 1 . TYR 169 169 26580 1 . ALA 170 170 26580 1 . ARG 171 171 26580 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 26580 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $M50 . 10366 organism . 'MURID HERPESVIRUS 1' 'Murine cytomegalovirus' . . Viruses . Murine cytomegalovirus Smith . . . . . . . . . . . . 26580 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 26580 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $M50 . 'recombinant technology' 'Escherichia coli' 'ESCHERICHIA COLI BL21(DE3)' . . . . 'BL21(DE3) RIPL' . . . . . 'IMPACT-CN pTYB12' . . . 26580 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_M50_TL _Sample.Sf_category sample _Sample.Sf_framecode M50_TL _Sample.Entry_ID 26580 _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 M50 '[U-13C; U-15N]' . . 1 $M50 . . 0.23 . . mM . . . . 26580 1 2 NaPO4 'natural abundance' . . . . . . 25 . . mM . . . . 26580 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 26580 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 26580 1 stop_ save_ save_M50_DL _Sample.Sf_category sample _Sample.Sf_framecode M50_DL _Sample.Entry_ID 26580 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 M50 '[U-13C; U-15N]' . . 1 $M50 . . 0.23 . . mM . . . . 26580 2 2 NaPO4 'natural abundance' . . . . . . 25 . . mM . . . . 26580 2 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 26580 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 26580 2 stop_ save_ save_M50_DL_60%deut _Sample.Sf_category sample _Sample.Sf_framecode M50_DL_60%deut _Sample.Entry_ID 26580 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 M50 '[U-13C; U-15N]' . . 1 $M50 . . 0.23 . . mM . . . . 26580 3 2 NaPO4 'natural abundance' . . . . . . 25 . . mM . . . . 26580 3 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 26580 3 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 26580 3 stop_ save_ save_M50_ILV _Sample.Sf_category sample _Sample.Sf_framecode M50_ILV _Sample.Entry_ID 26580 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 M50 '[U-13C; U-15N]' . . 1 $M50 . . 0.23 . . mM . . . . 26580 4 2 NaPO4 'natural abundance' . . . . . . 25 . . mM . . . . 26580 4 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 26580 4 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 26580 4 stop_ save_ save_sample_new_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_new_1 _Sample.Entry_ID 26580 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'M50 230 umol/l' _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 M50 '[U-13C; U-15N]' . . 1 $M50 . . 230 . . uM . . . . 26580 5 2 NaPO4 'natural abundance' . . . . . . 25 . . mM . . . . 26580 5 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 26580 5 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 26580 5 stop_ save_ ####################### # Sample conditions # ####################### save_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 1 _Sample_condition_list.Entry_ID 26580 _Sample_condition_list.ID 1 _Sample_condition_list.Details '25mM NaPO4, pH 6.5, 150 mM NaCl, 1 mM DTT' 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' 175.000 . mM 26580 1 pH 6.500 . pH 26580 1 pressure 1.000 . atm 26580 1 temperature 291.150 . K 26580 1 stop_ save_ save_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 2 _Sample_condition_list.Entry_ID 26580 _Sample_condition_list.ID 2 _Sample_condition_list.Details 'Condition 1 in 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' 175.000 . mM 26580 2 pH 6.500 . pH 26580 2 pressure 1.000 . atm 26580 2 temperature 291.150 . K 26580 2 stop_ save_ save_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 3 _Sample_condition_list.Entry_ID 26580 _Sample_condition_list.ID 3 _Sample_condition_list.Details 'Conditon 1 + 10 mg/ml Pf1 phage' 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' 175.000 . mM 26580 3 pH 6.500 . pH 26580 3 pressure 1.000 . atm 26580 3 temperature 291.150 . K 26580 3 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 26580 _Software.ID 1 _Software.Name AMBER _Software.Version WeNMR-GRID _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID AMPS-NMR . . 26580 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'RDC and Waterbox Refinement' 26580 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26580 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'N. Schaefer' . . 26580 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Resonance Assignment and Peak Picking' 26580 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 26580 _Software.ID 3 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumentaler, and Wuthrich' . . 26580 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Simulated Annealing' 26580 3 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 26580 _Software.ID 4 _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 26580 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID '4D Analysis' 26580 4 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 26580 _Software.ID 5 _Software.Name TALOS+ _Software.Version 1.2009.0605.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio, and Bax' . . 26580 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Generation of Dihedral Angle Restraints' 26580 5 stop_ save_ save_hmsIST _Software.Sf_category software _Software.Sf_framecode hmsIST _Software.Entry_ID 26580 _Software.ID 6 _Software.Name hmsIST _Software.Version 2.11 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'S. Hyberts' . . 26580 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Processing of Non Uniformly Sampled Spectra' 26580 6 stop_ save_ save_nmrDraw _Software.Sf_category software _Software.Sf_framecode nmrDraw _Software.Entry_ID 26580 _Software.ID 7 _Software.Name nmrDraw _Software.Version 11 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'F. Delaglio' . . 26580 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum Display' 26580 7 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 26580 _Software.ID 8 _Software.Name nmrPipe _Software.Version 11 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'F. Delaglio' . . 26580 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum Processing' 26580 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_750 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_750 _NMR_spectrometer.Entry_ID 26580 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_Bruker_900 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_900 _NMR_spectrometer.Entry_ID 26580 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_Bruker_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_600 _NMR_spectrometer.Entry_ID 26580 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_Varian_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian_600 _NMR_spectrometer.Entry_ID 26580 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model dd2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_BRUKER_AVANCE-750 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode BRUKER_AVANCE-750 _NMR_spectrometer.Entry_ID 26580 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_VARIAN_UNITYINOVA-600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode VARIAN_UNITYINOVA-600 _NMR_spectrometer.Entry_ID 26580 _NMR_spectrometer.ID 6 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITYINOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26580 _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 Bruker_750 Bruker Avance . 750 . . . 26580 1 2 Bruker_900 Bruker Avance . 900 . . . 26580 1 3 Bruker_600 Bruker Avance . 600 . . . 26580 1 4 Varian_600 Varian dd2 . 600 . . . 26580 1 5 BRUKER_AVANCE-750 Bruker AVANCE . 750 . . . 26580 1 6 VARIAN_UNITYINOVA-600 Varian UNITYINOVA . 600 . . . 26580 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 26580 _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 15N_TROSY no . . . . . . . . . . 1 $M50_TL isotropic . . 1 $1 . . . 1 $Bruker_750 . . . . . . . . . . . . . . . . 26580 1 2 TROSY_HNCA no . . . . . . . . . . 1 $M50_TL isotropic . . 1 $1 . . . 1 $Bruker_750 . . . . . . . . . . . . . . . . 26580 1 3 TROSY_HNCACB no . . . . . . . . . . 1 $M50_TL isotropic . . 1 $1 . . . 1 $Bruker_750 . . . . . . . . . . . . . . . . 26580 1 4 15NNOESYhsqc no . . . . . . . . . . 2 $M50_DL isotropic . . 1 $1 . . . 2 $Bruker_900 . . . . . . . . . . . . . . . . 26580 1 5 TROSY_HNCACO no . . . . . . . . . . 1 $M50_TL isotropic . . 1 $1 . . . 1 $Bruker_750 . . . . . . . . . . . . . . . . 26580 1 6 HCCONH no . . . . . . . . . . 3 $M50_DL_60%deut isotropic . . 1 $1 . . . 3 $Bruker_600 . . . . . . . . . . . . . . . . 26580 1 7 CCONH no . . . . . . . . . . 3 $M50_DL_60%deut isotropic . . 1 $1 . . . 3 $Bruker_600 . . . . . . . . . . . . . . . . 26580 1 8 HCCH-TOCSY no . . . . . . . . . . 3 $M50_DL_60%deut isotropic . . 1 $1 . . . 3 $Bruker_600 . . . . . . . . . . . . . . . . 26580 1 9 13CHSQC no . . . . . . . . . . 2 $M50_DL isotropic . . 2 $2 . . . 2 $Bruker_900 . . . . . . . . . . . . . . . . 26580 1 10 13NOESYhsqc no . . . . . . . . . . 2 $M50_DL isotropic . . 2 $2 . . . 2 $Bruker_900 . . . . . . . . . . . . . . . . 26580 1 11 15N_ILV_NOESY no . . . . . . . . . . 4 $M50_ILV isotropic . . 1 $1 . . . 2 $Bruker_900 . . . . . . . . . . . . . . . . 26580 1 12 13C_ILV_NOESY no . . . . . . . . . . 4 $M50_ILV isotropic . . 1 $1 . . . 2 $Bruker_900 . . . . . . . . . . . . . . . . 26580 1 13 '4D 13CHMQC-NOESY-HMQC' no . . . . . . . . . . 4 $M50_ILV isotropic . . 2 $2 . . . 1 $Bruker_750 . . . . . . . . . . . . . . . . 26580 1 14 RDC_HNCO no . . . . . . . . . . 1 $M50_TL anisotropic . . 3 $3 . . . 4 $Varian_600 . . . . . . . . . . . . . . . . 26580 1 15 TROSY_HNCO no . . . . . . . . . . 1 $M50_TL isotropic . . 1 $1 . . . 1 $Bruker_750 . . . . . . . . . . . . . . . . 26580 1 16 TROSY_HNCOCA no . . . . . . . . . . 1 $M50_TL isotropic . . 1 $1 . . . 1 $Bruker_750 . . . . . . . . . . . . . . . . 26580 1 17 13C_ILV_HSQC no . . . . . . . . . . 4 $M50_ILV isotropic . . 2 $2 . . . 1 $Bruker_750 . . . . . . . . . . . . . . . . 26580 1 18 '15N TROSY' no . . . . . . . . . . 5 $sample_new_1 solution . . 1 $1 . . . 5 $BRUKER_AVANCE-750 . . . . . . . . . . . . . . . . 26580 1 19 'TROSY HNCA' no . . . . . . . . . . 5 $sample_new_1 solution . . 1 $1 . . . 6 $VARIAN_UNITYINOVA-600 . . . . . . . . . . . . . . . . 26580 1 20 'TROSY HNCACB' no . . . . . . . . . . 5 $sample_new_1 solution . . 1 $1 . . . 5 $BRUKER_AVANCE-750 . . . . . . . . . . . . . . . . 26580 1 21 'TROSY HNCACO' no . . . . . . . . . . 5 $sample_new_1 solution . . 1 $1 . . . 5 $BRUKER_AVANCE-750 . . . . . . . . . . . . . . . . 26580 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 26580 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 26580 1 H 1 H2O protons . . . . ppm 4.7 internal direct 1 . . . . . 26580 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 26580 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 26580 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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 'Origin xeasy file /Users/andrasboeszoermenyi/Desktop/M50_Paper/M50_May27th_2015_1.prot' _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 15N_TROSY 1 $M50_TL isotropic 26580 1 2 TROSY_HNCA 1 $M50_TL isotropic 26580 1 3 TROSY_HNCACB 1 $M50_TL isotropic 26580 1 4 15NNOESYhsqc 2 $M50_DL isotropic 26580 1 5 TROSY_HNCACO 1 $M50_TL isotropic 26580 1 6 HCCONH 3 $M50_DL_60%deut isotropic 26580 1 7 CCONH 3 $M50_DL_60%deut isotropic 26580 1 8 HCCH-TOCSY 3 $M50_DL_60%deut isotropic 26580 1 9 13CHSQC 2 $M50_DL isotropic 26580 1 10 13NOESYhsqc 2 $M50_DL isotropic 26580 1 11 15N_ILV_NOESY 4 $M50_ILV isotropic 26580 1 12 13C_ILV_NOESY 4 $M50_ILV isotropic 26580 1 13 '4D 13CHMQC-NOESY-HMQC' 4 $M50_ILV isotropic 26580 1 14 RDC_HNCO 1 $M50_TL anisotropic 26580 1 15 TROSY_HNCO 1 $M50_TL isotropic 26580 1 16 TROSY_HNCOCA 1 $M50_TL isotropic 26580 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 26580 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 3 3 HIS H H 1 8.358 . . 1 . 323 . . 3 HIS H . 26580 1 2 . 1 1 3 3 HIS C C 13 174.904 . . 1 . 681 . . 3 HIS C . 26580 1 3 . 1 1 3 3 HIS CA C 13 55.700 . . 1 . 325 . . 3 HIS CA . 26580 1 4 . 1 1 3 3 HIS CB C 13 29.982 . . 1 . 680 . . 3 HIS CB . 26580 1 5 . 1 1 3 3 HIS N N 15 119.603 . . 1 . 324 . . 3 HIS N . 26580 1 6 . 1 1 4 4 MET H H 1 8.353 . . 1 . 155 . . 4 MET H . 26580 1 7 . 1 1 4 4 MET HA H 1 4.320 . . 1 . 1419 . . 4 MET HA . 26580 1 8 . 1 1 4 4 MET HB2 H 1 1.911 . . 1 . 1620 . . 4 MET HB2 . 26580 1 9 . 1 1 4 4 MET HB3 H 1 1.911 . . 1 . 1625 . . 4 MET HB3 . 26580 1 10 . 1 1 4 4 MET HG2 H 1 2.363 . . 1 . 1619 . . 4 MET HG2 . 26580 1 11 . 1 1 4 4 MET HG3 H 1 2.363 . . 1 . 1626 . . 4 MET HG3 . 26580 1 12 . 1 1 4 4 MET HE1 H 1 1.807 . . 1 . 1421 . . 4 MET HE1 . 26580 1 13 . 1 1 4 4 MET HE2 H 1 1.807 . . 1 . 1421 . . 4 MET HE2 . 26580 1 14 . 1 1 4 4 MET HE3 H 1 1.807 . . 1 . 1421 . . 4 MET HE3 . 26580 1 15 . 1 1 4 4 MET C C 13 175.599 . . 1 . 642 . . 4 MET C . 26580 1 16 . 1 1 4 4 MET CA C 13 54.774 . . 1 . 157 . . 4 MET CA . 26580 1 17 . 1 1 4 4 MET CB C 13 32.599 . . 1 . 158 . . 4 MET CB . 26580 1 18 . 1 1 4 4 MET N N 15 122.517 . . 1 . 156 . . 4 MET N . 26580 1 19 . 1 1 5 5 GLU H H 1 8.329 . . 1 . 138 . . 5 GLU H . 26580 1 20 . 1 1 5 5 GLU HA H 1 4.187 . . 1 . 1205 . . 5 GLU HA . 26580 1 21 . 1 1 5 5 GLU HB2 H 1 1.856 . . 1 . 1372 . . 5 GLU HB2 . 26580 1 22 . 1 1 5 5 GLU HB3 H 1 1.856 . . 1 . 1430 . . 5 GLU HB3 . 26580 1 23 . 1 1 5 5 GLU HG2 H 1 2.104 . . 1 . 1511 . . 5 GLU HG2 . 26580 1 24 . 1 1 5 5 GLU HG3 H 1 2.104 . . 1 . 1627 . . 5 GLU HG3 . 26580 1 25 . 1 1 5 5 GLU C C 13 176.268 . . 1 . 636 . . 5 GLU C . 26580 1 26 . 1 1 5 5 GLU CA C 13 56.036 . . 1 . 140 . . 5 GLU CA . 26580 1 27 . 1 1 5 5 GLU CB C 13 30.000 . . 1 . 141 . . 5 GLU CB . 26580 1 28 . 1 1 5 5 GLU CG C 13 35.939 . . 1 . 800 . . 5 GLU CG . 26580 1 29 . 1 1 5 5 GLU N N 15 122.995 . . 1 . 139 . . 5 GLU N . 26580 1 30 . 1 1 6 6 ILE H H 1 8.078 . . 1 . 263 . . 6 ILE H . 26580 1 31 . 1 1 6 6 ILE HA H 1 4.067 . . 1 . 1192 . . 6 ILE HA . 26580 1 32 . 1 1 6 6 ILE HB H 1 1.654 . . 1 . 1091 . . 6 ILE HB . 26580 1 33 . 1 1 6 6 ILE HG12 H 1 1.014 . . 1 . 1100 . . 6 ILE HG12 . 26580 1 34 . 1 1 6 6 ILE HG21 H 1 1.328 . . 1 . 1114 . . 6 ILE HG21 . 26580 1 35 . 1 1 6 6 ILE HG22 H 1 1.328 . . 1 . 1114 . . 6 ILE HG22 . 26580 1 36 . 1 1 6 6 ILE HG23 H 1 1.328 . . 1 . 1114 . . 6 ILE HG23 . 26580 1 37 . 1 1 6 6 ILE HD11 H 1 0.657 . . 1 . 936 . . 6 ILE HD11 . 26580 1 38 . 1 1 6 6 ILE HD12 H 1 0.657 . . 1 . 936 . . 6 ILE HD12 . 26580 1 39 . 1 1 6 6 ILE HD13 H 1 0.657 . . 1 . 936 . . 6 ILE HD13 . 26580 1 40 . 1 1 6 6 ILE C C 13 174.932 . . 1 . 595 . . 6 ILE C . 26580 1 41 . 1 1 6 6 ILE CA C 13 59.849 . . 1 . 265 . . 6 ILE CA . 26580 1 42 . 1 1 6 6 ILE CB C 13 38.546 . . 1 . 266 . . 6 ILE CB . 26580 1 43 . 1 1 6 6 ILE CG1 C 13 26.596 . . 1 . 1164 . . 6 ILE CG1 . 26580 1 44 . 1 1 6 6 ILE CG2 C 13 16.639 . . 1 . 1174 . . 6 ILE CG2 . 26580 1 45 . 1 1 6 6 ILE CD1 C 13 12.771 . . 1 . 868 . . 6 ILE CD1 . 26580 1 46 . 1 1 6 6 ILE N N 15 121.992 . . 1 . 264 . . 6 ILE N . 26580 1 47 . 1 1 7 7 ASP H H 1 8.134 . . 1 . 17 . . 7 ASP H . 26580 1 48 . 1 1 7 7 ASP HA H 1 4.448 . . 1 . 1015 . . 7 ASP HA . 26580 1 49 . 1 1 7 7 ASP HB2 H 1 2.553 . . 2 . 1306 . . 7 ASP HB2 . 26580 1 50 . 1 1 7 7 ASP HB3 H 1 2.675 . . 2 . 1307 . . 7 ASP HB3 . 26580 1 51 . 1 1 7 7 ASP C C 13 176.990 . . 1 . 604 . . 7 ASP C . 26580 1 52 . 1 1 7 7 ASP CA C 13 53.469 . . 1 . 19 . . 7 ASP CA . 26580 1 53 . 1 1 7 7 ASP CB C 13 42.090 . . 1 . 20 . . 7 ASP CB . 26580 1 54 . 1 1 7 7 ASP N N 15 125.720 . . 1 . 18 . . 7 ASP N . 26580 1 55 . 1 1 8 8 LYS H H 1 8.526 . . 1 . 131 . . 8 LYS H . 26580 1 56 . 1 1 8 8 LYS HA H 1 3.945 . . 1 . 1193 . . 8 LYS HA . 26580 1 57 . 1 1 8 8 LYS HB2 H 1 1.708 . . 1 . 1530 . . 8 LYS HB2 . 26580 1 58 . 1 1 8 8 LYS HB3 H 1 1.708 . . 1 . 1628 . . 8 LYS HB3 . 26580 1 59 . 1 1 8 8 LYS HG2 H 1 1.289 . . 1 . 1512 . . 8 LYS HG2 . 26580 1 60 . 1 1 8 8 LYS HG3 H 1 1.289 . . 1 . 1631 . . 8 LYS HG3 . 26580 1 61 . 1 1 8 8 LYS HD2 H 1 1.525 . . 1 . 1581 . . 8 LYS HD2 . 26580 1 62 . 1 1 8 8 LYS HD3 H 1 1.525 . . 1 . 1629 . . 8 LYS HD3 . 26580 1 63 . 1 1 8 8 LYS HE2 H 1 2.845 . . 1 . 1529 . . 8 LYS HE2 . 26580 1 64 . 1 1 8 8 LYS HE3 H 1 2.845 . . 1 . 1630 . . 8 LYS HE3 . 26580 1 65 . 1 1 8 8 LYS C C 13 178.286 . . 1 . 634 . . 8 LYS C . 26580 1 66 . 1 1 8 8 LYS CA C 13 58.484 . . 1 . 133 . . 8 LYS CA . 26580 1 67 . 1 1 8 8 LYS CB C 13 31.646 . . 1 . 633 . . 8 LYS CB . 26580 1 68 . 1 1 8 8 LYS CG C 13 23.679 . . 1 . 1161 . . 8 LYS CG . 26580 1 69 . 1 1 8 8 LYS CD C 13 28.882 . . 1 . 853 . . 8 LYS CD . 26580 1 70 . 1 1 8 8 LYS CE C 13 41.295 . . 1 . 1186 . . 8 LYS CE . 26580 1 71 . 1 1 8 8 LYS N N 15 123.362 . . 1 . 132 . . 8 LYS N . 26580 1 72 . 1 1 9 9 ASN H H 1 8.417 . . 1 . 326 . . 9 ASN H . 26580 1 73 . 1 1 9 9 ASN HA H 1 4.399 . . 1 . 1194 . . 9 ASN HA . 26580 1 74 . 1 1 9 9 ASN HB2 H 1 2.717 . . 1 . 1582 . . 9 ASN HB2 . 26580 1 75 . 1 1 9 9 ASN HB3 H 1 2.717 . . 1 . 1632 . . 9 ASN HB3 . 26580 1 76 . 1 1 9 9 ASN C C 13 177.126 . . 1 . 682 . . 9 ASN C . 26580 1 77 . 1 1 9 9 ASN CA C 13 55.010 . . 1 . 328 . . 9 ASN CA . 26580 1 78 . 1 1 9 9 ASN CB C 13 37.568 . . 1 . 329 . . 9 ASN CB . 26580 1 79 . 1 1 9 9 ASN N N 15 118.958 . . 1 . 327 . . 9 ASN N . 26580 1 80 . 1 1 10 10 VAL H H 1 7.658 . . 1 . 228 . . 10 VAL H . 26580 1 81 . 1 1 10 10 VAL HA H 1 3.303 . . 1 . 1374 . . 10 VAL HA . 26580 1 82 . 1 1 10 10 VAL HB H 1 2.033 . . 1 . 1206 . . 10 VAL HB . 26580 1 83 . 1 1 10 10 VAL HG11 H 1 0.542 . . 2 . 914 . . 10 VAL HG11 . 26580 1 84 . 1 1 10 10 VAL HG12 H 1 0.542 . . 2 . 914 . . 10 VAL HG12 . 26580 1 85 . 1 1 10 10 VAL HG13 H 1 0.542 . . 2 . 914 . . 10 VAL HG13 . 26580 1 86 . 1 1 10 10 VAL HG21 H 1 0.910 . . 2 . 927 . . 10 VAL HG21 . 26580 1 87 . 1 1 10 10 VAL HG22 H 1 0.910 . . 2 . 927 . . 10 VAL HG22 . 26580 1 88 . 1 1 10 10 VAL HG23 H 1 0.910 . . 2 . 927 . . 10 VAL HG23 . 26580 1 89 . 1 1 10 10 VAL C C 13 177.771 . . 1 . 657 . . 10 VAL C . 26580 1 90 . 1 1 10 10 VAL CA C 13 65.781 . . 1 . 230 . . 10 VAL CA . 26580 1 91 . 1 1 10 10 VAL CB C 13 31.021 . . 1 . 231 . . 10 VAL CB . 26580 1 92 . 1 1 10 10 VAL CG1 C 13 20.508 . . 2 . 836 . . 10 VAL CG1 . 26580 1 93 . 1 1 10 10 VAL CG2 C 13 22.177 . . 2 . 845 . . 10 VAL CG2 . 26580 1 94 . 1 1 10 10 VAL N N 15 122.426 . . 1 . 229 . . 10 VAL N . 26580 1 95 . 1 1 11 11 GLY H H 1 8.137 . . 1 . 496 . . 11 GLY H . 26580 1 96 . 1 1 11 11 GLY HA2 H 1 3.661 . . 1 . 1872 . . 11 GLY HA2 . 26580 1 97 . 1 1 11 11 GLY HA3 H 1 3.661 . . 1 . 1895 . . 11 GLY HA3 . 26580 1 98 . 1 1 11 11 GLY C C 13 174.677 . . 1 . 733 . . 11 GLY C . 26580 1 99 . 1 1 11 11 GLY CA C 13 46.876 . . 1 . 498 . . 11 GLY CA . 26580 1 100 . 1 1 11 11 GLY N N 15 106.010 . . 1 . 497 . . 11 GLY N . 26580 1 101 . 1 1 12 12 ALA H H 1 7.831 . . 1 . 270 . . 12 ALA H . 26580 1 102 . 1 1 12 12 ALA HA H 1 3.912 . . 1 . 1195 . . 12 ALA HA . 26580 1 103 . 1 1 12 12 ALA HB1 H 1 1.320 . . 1 . 1040 . . 12 ALA HB1 . 26580 1 104 . 1 1 12 12 ALA HB2 H 1 1.320 . . 1 . 1040 . . 12 ALA HB2 . 26580 1 105 . 1 1 12 12 ALA HB3 H 1 1.320 . . 1 . 1040 . . 12 ALA HB3 . 26580 1 106 . 1 1 12 12 ALA C C 13 180.667 . . 1 . 667 . . 12 ALA C . 26580 1 107 . 1 1 12 12 ALA CA C 13 54.760 . . 1 . 272 . . 12 ALA CA . 26580 1 108 . 1 1 12 12 ALA CB C 13 17.704 . . 1 . 765 . . 12 ALA CB . 26580 1 109 . 1 1 12 12 ALA N N 15 122.212 . . 1 . 271 . . 12 ALA N . 26580 1 110 . 1 1 13 13 ASP H H 1 7.597 . . 1 . 539 . . 13 ASP H . 26580 1 111 . 1 1 13 13 ASP HA H 1 4.315 . . 1 . 999 . . 13 ASP HA . 26580 1 112 . 1 1 13 13 ASP HB2 H 1 2.602 . . 1 . 1310 . . 13 ASP HB2 . 26580 1 113 . 1 1 13 13 ASP HB3 H 1 2.602 . . 1 . 1431 . . 13 ASP HB3 . 26580 1 114 . 1 1 13 13 ASP C C 13 179.316 . . 1 . 749 . . 13 ASP C . 26580 1 115 . 1 1 13 13 ASP CA C 13 56.680 . . 1 . 747 . . 13 ASP CA . 26580 1 116 . 1 1 13 13 ASP CB C 13 40.588 . . 1 . 748 . . 13 ASP CB . 26580 1 117 . 1 1 13 13 ASP N N 15 120.402 . . 1 . 540 . . 13 ASP N . 26580 1 118 . 1 1 14 14 LEU H H 1 8.290 . . 1 . 255 . . 14 LEU H . 26580 1 119 . 1 1 14 14 LEU HA H 1 4.348 . . 1 . 1000 . . 14 LEU HA . 26580 1 120 . 1 1 14 14 LEU HB2 H 1 2.334 . . 1 . 1460 . . 14 LEU HB2 . 26580 1 121 . 1 1 14 14 LEU HB3 H 1 2.334 . . 1 . 1633 . . 14 LEU HB3 . 26580 1 122 . 1 1 14 14 LEU HG H 1 1.260 . . 1 . 1311 . . 14 LEU HG . 26580 1 123 . 1 1 14 14 LEU HD11 H 1 -0.252 . . 2 . 944 . . 14 LEU HD11 . 26580 1 124 . 1 1 14 14 LEU HD12 H 1 -0.252 . . 2 . 944 . . 14 LEU HD12 . 26580 1 125 . 1 1 14 14 LEU HD13 H 1 -0.252 . . 2 . 944 . . 14 LEU HD13 . 26580 1 126 . 1 1 14 14 LEU HD21 H 1 -0.175 . . 2 . 963 . . 14 LEU HD21 . 26580 1 127 . 1 1 14 14 LEU HD22 H 1 -0.175 . . 2 . 963 . . 14 LEU HD22 . 26580 1 128 . 1 1 14 14 LEU HD23 H 1 -0.175 . . 2 . 963 . . 14 LEU HD23 . 26580 1 129 . 1 1 14 14 LEU C C 13 180.737 . . 1 . 665 . . 14 LEU C . 26580 1 130 . 1 1 14 14 LEU CA C 13 58.168 . . 1 . 257 . . 14 LEU CA . 26580 1 131 . 1 1 14 14 LEU CB C 13 39.390 . . 1 . 258 . . 14 LEU CB . 26580 1 132 . 1 1 14 14 LEU CD1 C 13 22.382 . . 2 . 977 . . 14 LEU CD1 . 26580 1 133 . 1 1 14 14 LEU CD2 C 13 25.009 . . 2 . 978 . . 14 LEU CD2 . 26580 1 134 . 1 1 14 14 LEU N N 15 121.419 . . 1 . 256 . . 14 LEU N . 26580 1 135 . 1 1 15 15 ILE H H 1 8.278 . . 1 . 142 . . 15 ILE H . 26580 1 136 . 1 1 15 15 ILE HG12 H 1 1.021 . . 1 . 1092 . . 15 ILE HG12 . 26580 1 137 . 1 1 15 15 ILE HD11 H 1 0.656 . . 1 . 937 . . 15 ILE HD11 . 26580 1 138 . 1 1 15 15 ILE HD12 H 1 0.656 . . 1 . 937 . . 15 ILE HD12 . 26580 1 139 . 1 1 15 15 ILE HD13 H 1 0.656 . . 1 . 937 . . 15 ILE HD13 . 26580 1 140 . 1 1 15 15 ILE C C 13 177.633 . . 1 . 637 . . 15 ILE C . 26580 1 141 . 1 1 15 15 ILE CA C 13 65.003 . . 1 . 144 . . 15 ILE CA . 26580 1 142 . 1 1 15 15 ILE CB C 13 36.991 . . 1 . 221 . . 15 ILE CB . 26580 1 143 . 1 1 15 15 ILE CG2 C 13 17.090 . . 1 . 1165 . . 15 ILE CG2 . 26580 1 144 . 1 1 15 15 ILE CD1 C 13 12.614 . . 1 . 879 . . 15 ILE CD1 . 26580 1 145 . 1 1 15 15 ILE N N 15 122.852 . . 1 . 143 . . 15 ILE N . 26580 1 146 . 1 1 16 16 SER H H 1 8.228 . . 1 . 449 . . 16 SER H . 26580 1 147 . 1 1 16 16 SER HA H 1 3.988 . . 1 . 1330 . . 16 SER HA . 26580 1 148 . 1 1 16 16 SER HB2 H 1 3.863 . . 1 . 1207 . . 16 SER HB2 . 26580 1 149 . 1 1 16 16 SER HB3 H 1 3.863 . . 1 . 1452 . . 16 SER HB3 . 26580 1 150 . 1 1 16 16 SER C C 13 178.480 . . 1 . 721 . . 16 SER C . 26580 1 151 . 1 1 16 16 SER CA C 13 61.203 . . 1 . 451 . . 16 SER CA . 26580 1 152 . 1 1 16 16 SER CB C 13 62.685 . . 1 . 452 . . 16 SER CB . 26580 1 153 . 1 1 16 16 SER N N 15 115.015 . . 1 . 450 . . 16 SER N . 26580 1 154 . 1 1 17 17 ASN H H 1 8.263 . . 1 . 338 . . 17 ASN H . 26580 1 155 . 1 1 17 17 ASN HA H 1 4.385 . . 1 . 1001 . . 17 ASN HA . 26580 1 156 . 1 1 17 17 ASN HB2 H 1 2.551 . . 1 . 1461 . . 17 ASN HB2 . 26580 1 157 . 1 1 17 17 ASN HB3 H 1 2.551 . . 1 . 1634 . . 17 ASN HB3 . 26580 1 158 . 1 1 17 17 ASN C C 13 176.742 . . 1 . 690 . . 17 ASN C . 26580 1 159 . 1 1 17 17 ASN CA C 13 56.444 . . 1 . 766 . . 17 ASN CA . 26580 1 160 . 1 1 17 17 ASN CB C 13 38.793 . . 1 . 688 . . 17 ASN CB . 26580 1 161 . 1 1 17 17 ASN N N 15 118.402 . . 1 . 339 . . 17 ASN N . 26580 1 162 . 1 1 18 18 THR H H 1 8.016 . . 1 . 293 . . 18 THR H . 26580 1 163 . 1 1 18 18 THR HA H 1 3.979 . . 1 . 1002 . . 18 THR HA . 26580 1 164 . 1 1 18 18 THR HB H 1 3.817 . . 1 . 1044 . . 18 THR HB . 26580 1 165 . 1 1 18 18 THR HG21 H 1 0.920 . . 1 . 1312 . . 18 THR HG21 . 26580 1 166 . 1 1 18 18 THR HG22 H 1 0.920 . . 1 . 1312 . . 18 THR HG22 . 26580 1 167 . 1 1 18 18 THR HG23 H 1 0.920 . . 1 . 1312 . . 18 THR HG23 . 26580 1 168 . 1 1 18 18 THR CA C 13 68.273 . . 1 . 295 . . 18 THR CA . 26580 1 169 . 1 1 18 18 THR CB C 13 68.152 . . 1 . 296 . . 18 THR CB . 26580 1 170 . 1 1 18 18 THR N N 15 120.492 . . 1 . 294 . . 18 THR N . 26580 1 171 . 1 1 19 19 ARG H H 1 7.698 . . 1 . 352 . . 19 ARG H . 26580 1 172 . 1 1 19 19 ARG HA H 1 4.418 . . 1 . 1313 . . 19 ARG HA . 26580 1 173 . 1 1 19 19 ARG HD2 H 1 3.023 . . 1 . 1147 . . 19 ARG HD2 . 26580 1 174 . 1 1 19 19 ARG HD3 H 1 3.023 . . 1 . 1432 . . 19 ARG HD3 . 26580 1 175 . 1 1 19 19 ARG C C 13 177.712 . . 1 . 694 . . 19 ARG C . 26580 1 176 . 1 1 19 19 ARG CA C 13 60.122 . . 1 . 354 . . 19 ARG CA . 26580 1 177 . 1 1 19 19 ARG CB C 13 29.184 . . 1 . 355 . . 19 ARG CB . 26580 1 178 . 1 1 19 19 ARG CG C 13 27.889 . . 1 . 801 . . 19 ARG CG . 26580 1 179 . 1 1 19 19 ARG CD C 13 43.178 . . 1 . 854 . . 19 ARG CD . 26580 1 180 . 1 1 19 19 ARG N N 15 119.698 . . 1 . 353 . . 19 ARG N . 26580 1 181 . 1 1 20 20 ARG H H 1 7.313 . . 1 . 506 . . 20 ARG H . 26580 1 182 . 1 1 20 20 ARG HA H 1 3.997 . . 1 . 1314 . . 20 ARG HA . 26580 1 183 . 1 1 20 20 ARG HB2 H 1 1.701 . . 1 . 1463 . . 20 ARG HB2 . 26580 1 184 . 1 1 20 20 ARG HB3 H 1 1.701 . . 1 . 1635 . . 20 ARG HB3 . 26580 1 185 . 1 1 20 20 ARG HG2 H 1 1.561 . . 1 . 1496 . . 20 ARG HG2 . 26580 1 186 . 1 1 20 20 ARG HG3 H 1 1.561 . . 1 . 1636 . . 20 ARG HG3 . 26580 1 187 . 1 1 20 20 ARG HD2 H 1 3.123 . . 1 . 1148 . . 20 ARG HD2 . 26580 1 188 . 1 1 20 20 ARG HD3 H 1 3.123 . . 1 . 1433 . . 20 ARG HD3 . 26580 1 189 . 1 1 20 20 ARG C C 13 179.582 . . 1 . 737 . . 20 ARG C . 26580 1 190 . 1 1 20 20 ARG CA C 13 58.511 . . 1 . 508 . . 20 ARG CA . 26580 1 191 . 1 1 20 20 ARG CB C 13 30.962 . . 1 . 509 . . 20 ARG CB . 26580 1 192 . 1 1 20 20 ARG CG C 13 26.876 . . 1 . 1162 . . 20 ARG CG . 26580 1 193 . 1 1 20 20 ARG CD C 13 42.846 . . 1 . 855 . . 20 ARG CD . 26580 1 194 . 1 1 20 20 ARG N N 15 116.493 . . 1 . 507 . . 20 ARG N . 26580 1 195 . 1 1 21 21 ILE H H 1 8.701 . . 1 . 236 . . 21 ILE H . 26580 1 196 . 1 1 21 21 ILE HA H 1 3.624 . . 1 . 1379 . . 21 ILE HA . 26580 1 197 . 1 1 21 21 ILE HB H 1 1.831 . . 1 . 1331 . . 21 ILE HB . 26580 1 198 . 1 1 21 21 ILE HG12 H 1 0.896 . . 1 . 1402 . . 21 ILE HG12 . 26580 1 199 . 1 1 21 21 ILE HG21 H 1 0.906 . . 1 . 1093 . . 21 ILE HG21 . 26580 1 200 . 1 1 21 21 ILE HG22 H 1 0.906 . . 1 . 1093 . . 21 ILE HG22 . 26580 1 201 . 1 1 21 21 ILE HG23 H 1 0.906 . . 1 . 1093 . . 21 ILE HG23 . 26580 1 202 . 1 1 21 21 ILE HD11 H 1 0.499 . . 1 . 938 . . 21 ILE HD11 . 26580 1 203 . 1 1 21 21 ILE HD12 H 1 0.499 . . 1 . 938 . . 21 ILE HD12 . 26580 1 204 . 1 1 21 21 ILE HD13 H 1 0.499 . . 1 . 938 . . 21 ILE HD13 . 26580 1 205 . 1 1 21 21 ILE C C 13 176.917 . . 1 . 659 . . 21 ILE C . 26580 1 206 . 1 1 21 21 ILE CA C 13 64.160 . . 1 . 238 . . 21 ILE CA . 26580 1 207 . 1 1 21 21 ILE CB C 13 37.268 . . 1 . 239 . . 21 ILE CB . 26580 1 208 . 1 1 21 21 ILE CG2 C 13 18.144 . . 1 . 1166 . . 21 ILE CG2 . 26580 1 209 . 1 1 21 21 ILE CD1 C 13 13.007 . . 1 . 889 . . 21 ILE CD1 . 26580 1 210 . 1 1 21 21 ILE N N 15 120.429 . . 1 . 237 . . 21 ILE N . 26580 1 211 . 1 1 22 22 LEU H H 1 7.657 . . 1 . 482 . . 22 LEU H . 26580 1 212 . 1 1 22 22 LEU HA H 1 4.429 . . 1 . 1003 . . 22 LEU HA . 26580 1 213 . 1 1 22 22 LEU HD11 H 1 0.177 . . 2 . 945 . . 22 LEU HD11 . 26580 1 214 . 1 1 22 22 LEU HD12 H 1 0.177 . . 2 . 945 . . 22 LEU HD12 . 26580 1 215 . 1 1 22 22 LEU HD13 H 1 0.177 . . 2 . 945 . . 22 LEU HD13 . 26580 1 216 . 1 1 22 22 LEU HD21 H 1 0.475 . . 2 . 964 . . 22 LEU HD21 . 26580 1 217 . 1 1 22 22 LEU HD22 H 1 0.475 . . 2 . 964 . . 22 LEU HD22 . 26580 1 218 . 1 1 22 22 LEU HD23 H 1 0.475 . . 2 . 964 . . 22 LEU HD23 . 26580 1 219 . 1 1 22 22 LEU C C 13 174.219 . . 1 . 729 . . 22 LEU C . 26580 1 220 . 1 1 22 22 LEU CA C 13 54.194 . . 1 . 484 . . 22 LEU CA . 26580 1 221 . 1 1 22 22 LEU CB C 13 39.422 . . 1 . 485 . . 22 LEU CB . 26580 1 222 . 1 1 22 22 LEU CD1 C 13 25.367 . . 2 . 891 . . 22 LEU CD1 . 26580 1 223 . 1 1 22 22 LEU CD2 C 13 20.722 . . 2 . 895 . . 22 LEU CD2 . 26580 1 224 . 1 1 22 22 LEU N N 15 113.455 . . 1 . 483 . . 22 LEU N . 26580 1 225 . 1 1 23 23 ARG H H 1 7.426 . . 1 . 514 . . 23 ARG H . 26580 1 226 . 1 1 23 23 ARG HA H 1 3.790 . . 1 . 1302 . . 23 ARG HA . 26580 1 227 . 1 1 23 23 ARG HB2 H 1 1.781 . . 1 . 1535 . . 23 ARG HB2 . 26580 1 228 . 1 1 23 23 ARG HB3 H 1 1.781 . . 1 . 1637 . . 23 ARG HB3 . 26580 1 229 . 1 1 23 23 ARG HG2 H 1 1.467 . . 1 . 1534 . . 23 ARG HG2 . 26580 1 230 . 1 1 23 23 ARG HG3 H 1 1.467 . . 1 . 1639 . . 23 ARG HG3 . 26580 1 231 . 1 1 23 23 ARG HD2 H 1 3.080 . . 1 . 1513 . . 23 ARG HD2 . 26580 1 232 . 1 1 23 23 ARG HD3 H 1 3.080 . . 1 . 1638 . . 23 ARG HD3 . 26580 1 233 . 1 1 23 23 ARG C C 13 175.510 . . 1 . 739 . . 23 ARG C . 26580 1 234 . 1 1 23 23 ARG CA C 13 56.563 . . 1 . 516 . . 23 ARG CA . 26580 1 235 . 1 1 23 23 ARG CB C 13 26.241 . . 1 . 517 . . 23 ARG CB . 26580 1 236 . 1 1 23 23 ARG CG C 13 26.692 . . 1 . 824 . . 23 ARG CG . 26580 1 237 . 1 1 23 23 ARG CD C 13 43.510 . . 1 . 856 . . 23 ARG CD . 26580 1 238 . 1 1 23 23 ARG N N 15 116.490 . . 1 . 515 . . 23 ARG N . 26580 1 239 . 1 1 24 24 LEU H H 1 7.838 . . 1 . 419 . . 24 LEU H . 26580 1 240 . 1 1 24 24 LEU HA H 1 4.429 . . 1 . 1004 . . 24 LEU HA . 26580 1 241 . 1 1 24 24 LEU HB2 H 1 1.479 . . 1 . 1606 . . 24 LEU HB2 . 26580 1 242 . 1 1 24 24 LEU HB3 H 1 1.479 . . 1 . 1640 . . 24 LEU HB3 . 26580 1 243 . 1 1 24 24 LEU HG H 1 1.396 . . 1 . 1204 . . 24 LEU HG . 26580 1 244 . 1 1 24 24 LEU HD11 H 1 0.613 . . 2 . 939 . . 24 LEU HD11 . 26580 1 245 . 1 1 24 24 LEU HD12 H 1 0.613 . . 2 . 939 . . 24 LEU HD12 . 26580 1 246 . 1 1 24 24 LEU HD13 H 1 0.613 . . 2 . 939 . . 24 LEU HD13 . 26580 1 247 . 1 1 24 24 LEU HD21 H 1 0.674 . . 2 . 965 . . 24 LEU HD21 . 26580 1 248 . 1 1 24 24 LEU HD22 H 1 0.674 . . 2 . 965 . . 24 LEU HD22 . 26580 1 249 . 1 1 24 24 LEU HD23 H 1 0.674 . . 2 . 965 . . 24 LEU HD23 . 26580 1 250 . 1 1 24 24 LEU C C 13 177.666 . . 1 . 712 . . 24 LEU C . 26580 1 251 . 1 1 24 24 LEU CA C 13 53.213 . . 1 . 421 . . 24 LEU CA . 26580 1 252 . 1 1 24 24 LEU CB C 13 43.173 . . 1 . 422 . . 24 LEU CB . 26580 1 253 . 1 1 24 24 LEU CD1 C 13 27.735 . . 2 . 880 . . 24 LEU CD1 . 26580 1 254 . 1 1 24 24 LEU CD2 C 13 21.941 . . 2 . 896 . . 24 LEU CD2 . 26580 1 255 . 1 1 24 24 LEU N N 15 117.889 . . 1 . 420 . . 24 LEU N . 26580 1 256 . 1 1 25 25 ASP H H 1 9.054 . . 1 . 115 . . 25 ASP H . 26580 1 257 . 1 1 25 25 ASP HA H 1 4.600 . . 1 . 1005 . . 25 ASP HA . 26580 1 258 . 1 1 25 25 ASP HB2 H 1 2.617 . . 1 . 1464 . . 25 ASP HB2 . 26580 1 259 . 1 1 25 25 ASP HB3 H 1 2.617 . . 1 . 1641 . . 25 ASP HB3 . 26580 1 260 . 1 1 25 25 ASP C C 13 177.635 . . 1 . 629 . . 25 ASP C . 26580 1 261 . 1 1 25 25 ASP CA C 13 52.920 . . 1 . 117 . . 25 ASP CA . 26580 1 262 . 1 1 25 25 ASP CB C 13 41.677 . . 1 . 118 . . 25 ASP CB . 26580 1 263 . 1 1 25 25 ASP N N 15 123.603 . . 1 . 116 . . 25 ASP N . 26580 1 264 . 1 1 26 26 GLU H H 1 8.751 . . 1 . 171 . . 26 GLU H . 26580 1 265 . 1 1 26 26 GLU HA H 1 3.697 . . 1 . 1196 . . 26 GLU HA . 26580 1 266 . 1 1 26 26 GLU HB2 H 1 1.876 . . 1 . 1465 . . 26 GLU HB2 . 26580 1 267 . 1 1 26 26 GLU HB3 H 1 1.876 . . 1 . 1642 . . 26 GLU HB3 . 26580 1 268 . 1 1 26 26 GLU HG2 H 1 2.127 . . 1 . 1497 . . 26 GLU HG2 . 26580 1 269 . 1 1 26 26 GLU HG3 H 1 2.127 . . 1 . 1643 . . 26 GLU HG3 . 26580 1 270 . 1 1 26 26 GLU C C 13 177.870 . . 1 . 646 . . 26 GLU C . 26580 1 271 . 1 1 26 26 GLU CA C 13 59.193 . . 1 . 173 . . 26 GLU CA . 26580 1 272 . 1 1 26 26 GLU CB C 13 29.161 . . 1 . 174 . . 26 GLU CB . 26580 1 273 . 1 1 26 26 GLU CG C 13 35.837 . . 1 . 802 . . 26 GLU CG . 26580 1 274 . 1 1 26 26 GLU N N 15 121.248 . . 1 . 172 . . 26 GLU N . 26580 1 275 . 1 1 27 27 ASN H H 1 8.529 . . 1 . 445 . . 27 ASN H . 26580 1 276 . 1 1 27 27 ASN HA H 1 4.556 . . 1 . 1006 . . 27 ASN HA . 26580 1 277 . 1 1 27 27 ASN HB2 H 1 2.789 . . 1 . 1585 . . 27 ASN HB2 . 26580 1 278 . 1 1 27 27 ASN HB3 H 1 2.789 . . 1 . 1644 . . 27 ASN HB3 . 26580 1 279 . 1 1 27 27 ASN C C 13 176.157 . . 1 . 720 . . 27 ASN C . 26580 1 280 . 1 1 27 27 ASN CA C 13 53.691 . . 1 . 447 . . 27 ASN CA . 26580 1 281 . 1 1 27 27 ASN CB C 13 37.324 . . 1 . 448 . . 27 ASN CB . 26580 1 282 . 1 1 27 27 ASN N N 15 114.149 . . 1 . 446 . . 27 ASN N . 26580 1 283 . 1 1 28 28 GLU H H 1 7.629 . . 1 . 375 . . 28 GLU H . 26580 1 284 . 1 1 28 28 GLU HA H 1 4.192 . . 1 . 1197 . . 28 GLU HA . 26580 1 285 . 1 1 28 28 GLU HB2 H 1 1.957 . . 1 . 1466 . . 28 GLU HB2 . 26580 1 286 . 1 1 28 28 GLU HB3 H 1 1.957 . . 1 . 1645 . . 28 GLU HB3 . 26580 1 287 . 1 1 28 28 GLU HG2 H 1 2.231 . . 1 . 1498 . . 28 GLU HG2 . 26580 1 288 . 1 1 28 28 GLU HG3 H 1 2.231 . . 1 . 1646 . . 28 GLU HG3 . 26580 1 289 . 1 1 28 28 GLU C C 13 173.671 . . 1 . 699 . . 28 GLU C . 26580 1 290 . 1 1 28 28 GLU CA C 13 55.830 . . 1 . 377 . . 28 GLU CA . 26580 1 291 . 1 1 28 28 GLU CB C 13 30.775 . . 1 . 378 . . 28 GLU CB . 26580 1 292 . 1 1 28 28 GLU CG C 13 37.106 . . 1 . 803 . . 28 GLU CG . 26580 1 293 . 1 1 28 28 GLU N N 15 118.122 . . 1 . 376 . . 28 GLU N . 26580 1 294 . 1 1 29 29 LEU H H 1 7.085 . . 1 . 206 . . 29 LEU H . 26580 1 295 . 1 1 29 29 LEU HA H 1 4.873 . . 1 . 1290 . . 29 LEU HA . 26580 1 296 . 1 1 29 29 LEU HB2 H 1 1.730 . . 1 . 1594 . . 29 LEU HB2 . 26580 1 297 . 1 1 29 29 LEU HB3 H 1 1.730 . . 1 . 1647 . . 29 LEU HB3 . 26580 1 298 . 1 1 29 29 LEU HG H 1 1.171 . . 1 . 1210 . . 29 LEU HG . 26580 1 299 . 1 1 29 29 LEU HD11 H 1 0.684 . . 2 . 980 . . 29 LEU HD11 . 26580 1 300 . 1 1 29 29 LEU HD12 H 1 0.684 . . 2 . 980 . . 29 LEU HD12 . 26580 1 301 . 1 1 29 29 LEU HD13 H 1 0.684 . . 2 . 980 . . 29 LEU HD13 . 26580 1 302 . 1 1 29 29 LEU HD21 H 1 0.637 . . 2 . 966 . . 29 LEU HD21 . 26580 1 303 . 1 1 29 29 LEU HD22 H 1 0.637 . . 2 . 966 . . 29 LEU HD22 . 26580 1 304 . 1 1 29 29 LEU HD23 H 1 0.637 . . 2 . 966 . . 29 LEU HD23 . 26580 1 305 . 1 1 29 29 LEU C C 13 174.621 . . 1 . 654 . . 29 LEU C . 26580 1 306 . 1 1 29 29 LEU CA C 13 53.050 . . 1 . 208 . . 29 LEU CA . 26580 1 307 . 1 1 29 29 LEU CB C 13 44.251 . . 1 . 209 . . 29 LEU CB . 26580 1 308 . 1 1 29 29 LEU CD1 C 13 26.807 . . 2 . 881 . . 29 LEU CD1 . 26580 1 309 . 1 1 29 29 LEU CD2 C 13 23.320 . . 2 . 979 . . 29 LEU CD2 . 26580 1 310 . 1 1 29 29 LEU N N 15 120.567 . . 1 . 207 . . 29 LEU N . 26580 1 311 . 1 1 30 30 ARG H H 1 8.900 . . 1 . 72 . . 30 ARG H . 26580 1 312 . 1 1 30 30 ARG HA H 1 4.418 . . 1 . 1281 . . 30 ARG HA . 26580 1 313 . 1 1 30 30 ARG HB2 H 1 1.664 . . 1 . 1538 . . 30 ARG HB2 . 26580 1 314 . 1 1 30 30 ARG HB3 H 1 1.664 . . 1 . 1648 . . 30 ARG HB3 . 26580 1 315 . 1 1 30 30 ARG HG2 H 1 1.466 . . 1 . 1537 . . 30 ARG HG2 . 26580 1 316 . 1 1 30 30 ARG HG3 H 1 1.466 . . 1 . 1650 . . 30 ARG HG3 . 26580 1 317 . 1 1 30 30 ARG HD2 H 1 2.982 . . 1 . 1514 . . 30 ARG HD2 . 26580 1 318 . 1 1 30 30 ARG HD3 H 1 2.982 . . 1 . 1649 . . 30 ARG HD3 . 26580 1 319 . 1 1 30 30 ARG C C 13 175.313 . . 1 . 618 . . 30 ARG C . 26580 1 320 . 1 1 30 30 ARG CA C 13 54.536 . . 1 . 74 . . 30 ARG CA . 26580 1 321 . 1 1 30 30 ARG CB C 13 30.936 . . 1 . 75 . . 30 ARG CB . 26580 1 322 . 1 1 30 30 ARG CG C 13 26.564 . . 1 . 804 . . 30 ARG CG . 26580 1 323 . 1 1 30 30 ARG CD C 13 42.846 . . 1 . 857 . . 30 ARG CD . 26580 1 324 . 1 1 30 30 ARG N N 15 128.665 . . 1 . 73 . . 30 ARG N . 26580 1 325 . 1 1 31 31 ILE H H 1 8.574 . . 1 . 57 . . 31 ILE H . 26580 1 326 . 1 1 31 31 ILE HA H 1 4.160 . . 1 . 1284 . . 31 ILE HA . 26580 1 327 . 1 1 31 31 ILE HB H 1 1.611 . . 1 . 1213 . . 31 ILE HB . 26580 1 328 . 1 1 31 31 ILE HG12 H 1 1.307 . . 1 . 1214 . . 31 ILE HG12 . 26580 1 329 . 1 1 31 31 ILE HD11 H 1 0.714 . . 1 . 946 . . 31 ILE HD11 . 26580 1 330 . 1 1 31 31 ILE HD12 H 1 0.714 . . 1 . 946 . . 31 ILE HD12 . 26580 1 331 . 1 1 31 31 ILE HD13 H 1 0.714 . . 1 . 946 . . 31 ILE HD13 . 26580 1 332 . 1 1 31 31 ILE C C 13 175.980 . . 1 . 614 . . 31 ILE C . 26580 1 333 . 1 1 31 31 ILE CA C 13 60.549 . . 1 . 59 . . 31 ILE CA . 26580 1 334 . 1 1 31 31 ILE CB C 13 39.572 . . 1 . 60 . . 31 ILE CB . 26580 1 335 . 1 1 31 31 ILE CG1 C 13 27.197 . . 1 . 1175 . . 31 ILE CG1 . 26580 1 336 . 1 1 31 31 ILE CG2 C 13 17.799 . . 1 . 1167 . . 31 ILE CG2 . 26580 1 337 . 1 1 31 31 ILE CD1 C 13 13.706 . . 1 . 869 . . 31 ILE CD1 . 26580 1 338 . 1 1 31 31 ILE N N 15 125.102 . . 1 . 58 . . 31 ILE N . 26580 1 339 . 1 1 32 32 THR H H 1 7.821 . . 1 . 13 . . 32 THR H . 26580 1 340 . 1 1 32 32 THR HA H 1 4.155 . . 1 . 1298 . . 32 THR HA . 26580 1 341 . 1 1 32 32 THR HB H 1 3.962 . . 1 . 1297 . . 32 THR HB . 26580 1 342 . 1 1 32 32 THR HG21 H 1 1.033 . . 1 . 1102 . . 32 THR HG21 . 26580 1 343 . 1 1 32 32 THR HG22 H 1 1.033 . . 1 . 1102 . . 32 THR HG22 . 26580 1 344 . 1 1 32 32 THR HG23 H 1 1.033 . . 1 . 1102 . . 32 THR HG23 . 26580 1 345 . 1 1 32 32 THR C C 13 173.317 . . 1 . 603 . . 32 THR C . 26580 1 346 . 1 1 32 32 THR CA C 13 62.309 . . 1 . 15 . . 32 THR CA . 26580 1 347 . 1 1 32 32 THR CB C 13 68.515 . . 1 . 16 . . 32 THR CB . 26580 1 348 . 1 1 32 32 THR CG2 C 13 22.193 . . 1 . 990 . . 32 THR CG2 . 26580 1 349 . 1 1 32 32 THR N N 15 125.971 . . 1 . 14 . . 32 THR N . 26580 1 350 . 1 1 33 33 ASP H H 1 8.350 . . 1 . 61 . . 33 ASP H . 26580 1 351 . 1 1 33 33 ASP HA H 1 4.371 . . 1 . 1198 . . 33 ASP HA . 26580 1 352 . 1 1 33 33 ASP HB2 H 1 2.546 . . 1 . 1567 . . 33 ASP HB2 . 26580 1 353 . 1 1 33 33 ASP HB3 H 1 2.546 . . 1 . 1651 . . 33 ASP HB3 . 26580 1 354 . 1 1 33 33 ASP C C 13 177.503 . . 1 . 615 . . 33 ASP C . 26580 1 355 . 1 1 33 33 ASP CA C 13 54.205 . . 1 . 63 . . 33 ASP CA . 26580 1 356 . 1 1 33 33 ASP CB C 13 41.648 . . 1 . 64 . . 33 ASP CB . 26580 1 357 . 1 1 33 33 ASP N N 15 125.457 . . 1 . 62 . . 33 ASP N . 26580 1 358 . 1 1 34 34 THR H H 1 8.157 . . 1 . 557 . . 34 THR H . 26580 1 359 . 1 1 34 34 THR HA H 1 3.706 . . 1 . 1199 . . 34 THR HA . 26580 1 360 . 1 1 34 34 THR HB H 1 4.036 . . 1 . 1376 . . 34 THR HB . 26580 1 361 . 1 1 34 34 THR HG21 H 1 1.081 . . 1 . 1103 . . 34 THR HG21 . 26580 1 362 . 1 1 34 34 THR HG22 H 1 1.081 . . 1 . 1103 . . 34 THR HG22 . 26580 1 363 . 1 1 34 34 THR HG23 H 1 1.081 . . 1 . 1103 . . 34 THR HG23 . 26580 1 364 . 1 1 34 34 THR C C 13 175.840 . . 1 . 754 . . 34 THR C . 26580 1 365 . 1 1 34 34 THR CA C 13 64.195 . . 1 . 561 . . 34 THR CA . 26580 1 366 . 1 1 34 34 THR CB C 13 68.046 . . 1 . 753 . . 34 THR CB . 26580 1 367 . 1 1 34 34 THR CG2 C 13 21.816 . . 1 . 991 . . 34 THR CG2 . 26580 1 368 . 1 1 34 34 THR N N 15 119.372 . . 1 . 558 . . 34 THR N . 26580 1 369 . 1 1 35 35 ALA H H 1 8.342 . . 1 . 34 . . 35 ALA H . 26580 1 370 . 1 1 35 35 ALA HA H 1 4.049 . . 1 . 1349 . . 35 ALA HA . 26580 1 371 . 1 1 35 35 ALA HB1 H 1 1.269 . . 1 . 1049 . . 35 ALA HB1 . 26580 1 372 . 1 1 35 35 ALA HB2 H 1 1.269 . . 1 . 1049 . . 35 ALA HB2 . 26580 1 373 . 1 1 35 35 ALA HB3 H 1 1.269 . . 1 . 1049 . . 35 ALA HB3 . 26580 1 374 . 1 1 35 35 ALA C C 13 179.698 . . 1 . 607 . . 35 ALA C . 26580 1 375 . 1 1 35 35 ALA CA C 13 54.015 . . 1 . 36 . . 35 ALA CA . 26580 1 376 . 1 1 35 35 ALA CB C 13 18.126 . . 1 . 37 . . 35 ALA CB . 26580 1 377 . 1 1 35 35 ALA N N 15 124.078 . . 1 . 35 . . 35 ALA N . 26580 1 378 . 1 1 36 36 LEU H H 1 7.448 . . 1 . 415 . . 36 LEU H . 26580 1 379 . 1 1 36 36 LEU HA H 1 4.006 . . 1 . 1299 . . 36 LEU HA . 26580 1 380 . 1 1 36 36 LEU HB2 H 1 1.589 . . 1 . 1579 . . 36 LEU HB2 . 26580 1 381 . 1 1 36 36 LEU HB3 H 1 1.589 . . 1 . 1652 . . 36 LEU HB3 . 26580 1 382 . 1 1 36 36 LEU HG H 1 1.388 . . 1 . 1300 . . 36 LEU HG . 26580 1 383 . 1 1 36 36 LEU HD11 H 1 0.585 . . 2 . 983 . . 36 LEU HD11 . 26580 1 384 . 1 1 36 36 LEU HD12 H 1 0.585 . . 2 . 983 . . 36 LEU HD12 . 26580 1 385 . 1 1 36 36 LEU HD13 H 1 0.585 . . 2 . 983 . . 36 LEU HD13 . 26580 1 386 . 1 1 36 36 LEU HD21 H 1 0.709 . . 2 . 982 . . 36 LEU HD21 . 26580 1 387 . 1 1 36 36 LEU HD22 H 1 0.709 . . 2 . 982 . . 36 LEU HD22 . 26580 1 388 . 1 1 36 36 LEU HD23 H 1 0.709 . . 2 . 982 . . 36 LEU HD23 . 26580 1 389 . 1 1 36 36 LEU C C 13 178.159 . . 1 . 711 . . 36 LEU C . 26580 1 390 . 1 1 36 36 LEU CA C 13 56.077 . . 1 . 417 . . 36 LEU CA . 26580 1 391 . 1 1 36 36 LEU CB C 13 40.768 . . 1 . 418 . . 36 LEU CB . 26580 1 392 . 1 1 36 36 LEU CD1 C 13 22.952 . . 2 . 892 . . 36 LEU CD1 . 26580 1 393 . 1 1 36 36 LEU CD2 C 13 24.430 . . 2 . 897 . . 36 LEU CD2 . 26580 1 394 . 1 1 36 36 LEU N N 15 117.275 . . 1 . 416 . . 36 LEU N . 26580 1 395 . 1 1 37 37 ILE H H 1 7.160 . . 1 . 411 . . 37 ILE H . 26580 1 396 . 1 1 37 37 ILE HA H 1 4.074 . . 1 . 1350 . . 37 ILE HA . 26580 1 397 . 1 1 37 37 ILE HB H 1 1.835 . . 1 . 1216 . . 37 ILE HB . 26580 1 398 . 1 1 37 37 ILE HG12 H 1 1.102 . . 1 . 1215 . . 37 ILE HG12 . 26580 1 399 . 1 1 37 37 ILE HD11 H 1 0.694 . . 1 . 976 . . 37 ILE HD11 . 26580 1 400 . 1 1 37 37 ILE HD12 H 1 0.694 . . 1 . 976 . . 37 ILE HD12 . 26580 1 401 . 1 1 37 37 ILE HD13 H 1 0.694 . . 1 . 976 . . 37 ILE HD13 . 26580 1 402 . 1 1 37 37 ILE C C 13 177.087 . . 1 . 710 . . 37 ILE C . 26580 1 403 . 1 1 37 37 ILE CA C 13 61.877 . . 1 . 413 . . 37 ILE CA . 26580 1 404 . 1 1 37 37 ILE CB C 13 37.498 . . 1 . 414 . . 37 ILE CB . 26580 1 405 . 1 1 37 37 ILE CD1 C 13 13.021 . . 1 . 882 . . 37 ILE CD1 . 26580 1 406 . 1 1 37 37 ILE N N 15 117.795 . . 1 . 412 . . 37 ILE N . 26580 1 407 . 1 1 38 38 CYS H H 1 7.803 . . 1 . 533 . . 38 CYS H . 26580 1 408 . 1 1 38 38 CYS HA H 1 4.122 . . 1 . 1007 . . 38 CYS HA . 26580 1 409 . 1 1 38 38 CYS HB2 H 1 2.853 . . 1 . 1595 . . 38 CYS HB2 . 26580 1 410 . 1 1 38 38 CYS HB3 H 1 2.853 . . 1 . 1653 . . 38 CYS HB3 . 26580 1 411 . 1 1 38 38 CYS C C 13 175.191 . . 1 . 744 . . 38 CYS C . 26580 1 412 . 1 1 38 38 CYS CA C 13 60.248 . . 1 . 535 . . 38 CYS CA . 26580 1 413 . 1 1 38 38 CYS CB C 13 27.893 . . 1 . 536 . . 38 CYS CB . 26580 1 414 . 1 1 38 38 CYS N N 15 117.818 . . 1 . 534 . . 38 CYS N . 26580 1 415 . 1 1 39 39 LYS H H 1 7.435 . . 1 . 702 . . 39 LYS H . 26580 1 416 . 1 1 39 39 LYS HA H 1 4.139 . . 1 . 1315 . . 39 LYS HA . 26580 1 417 . 1 1 39 39 LYS HB2 H 1 1.686 . . 1 . 1467 . . 39 LYS HB2 . 26580 1 418 . 1 1 39 39 LYS HB3 H 1 1.686 . . 1 . 1654 . . 39 LYS HB3 . 26580 1 419 . 1 1 39 39 LYS HG2 H 1 1.309 . . 1 . 1499 . . 39 LYS HG2 . 26580 1 420 . 1 1 39 39 LYS HG3 H 1 1.309 . . 1 . 1657 . . 39 LYS HG3 . 26580 1 421 . 1 1 39 39 LYS HD2 H 1 1.539 . . 1 . 1515 . . 39 LYS HD2 . 26580 1 422 . 1 1 39 39 LYS HD3 H 1 1.539 . . 1 . 1655 . . 39 LYS HD3 . 26580 1 423 . 1 1 39 39 LYS HE2 H 1 2.865 . . 1 . 1523 . . 39 LYS HE2 . 26580 1 424 . 1 1 39 39 LYS HE3 H 1 2.865 . . 1 . 1656 . . 39 LYS HE3 . 26580 1 425 . 1 1 39 39 LYS C C 13 176.317 . . 1 . 781 . . 39 LYS C . 26580 1 426 . 1 1 39 39 LYS CA C 13 56.744 . . 1 . 775 . . 39 LYS CA . 26580 1 427 . 1 1 39 39 LYS CB C 13 32.575 . . 1 . 780 . . 39 LYS CB . 26580 1 428 . 1 1 39 39 LYS CG C 13 24.341 . . 1 . 799 . . 39 LYS CG . 26580 1 429 . 1 1 39 39 LYS CD C 13 28.879 . . 1 . 852 . . 39 LYS CD . 26580 1 430 . 1 1 39 39 LYS CE C 13 41.798 . . 1 . 1185 . . 39 LYS CE . 26580 1 431 . 1 1 39 39 LYS N N 15 118.674 . . 1 . 703 . . 39 LYS N . 26580 1 432 . 1 1 40 40 ASN H H 1 7.965 . . 1 . 403 . . 40 ASN H . 26580 1 433 . 1 1 40 40 ASN HA H 1 4.886 . . 1 . 1335 . . 40 ASN HA . 26580 1 434 . 1 1 40 40 ASN HB2 H 1 2.599 . . 1 . 1353 . . 40 ASN HB2 . 26580 1 435 . 1 1 40 40 ASN HB3 H 1 2.599 . . 1 . 1434 . . 40 ASN HB3 . 26580 1 436 . 1 1 40 40 ASN C C 13 172.675 . . 1 . 708 . . 40 ASN C . 26580 1 437 . 1 1 40 40 ASN CA C 13 49.903 . . 1 . 405 . . 40 ASN CA . 26580 1 438 . 1 1 40 40 ASN CB C 13 39.158 . . 1 . 406 . . 40 ASN CB . 26580 1 439 . 1 1 40 40 ASN N N 15 117.845 . . 1 . 404 . . 40 ASN N . 26580 1 440 . 1 1 42 42 ASN H H 1 8.085 . . 1 . 434 . . 42 ASN H . 26580 1 441 . 1 1 42 42 ASN HA H 1 4.530 . . 1 . 1008 . . 42 ASN HA . 26580 1 442 . 1 1 42 42 ASN HB2 H 1 2.493 . . 1 . 1468 . . 42 ASN HB2 . 26580 1 443 . 1 1 42 42 ASN HB3 H 1 2.493 . . 1 . 1658 . . 42 ASN HB3 . 26580 1 444 . 1 1 42 42 ASN C C 13 174.864 . . 1 . 716 . . 42 ASN C . 26580 1 445 . 1 1 42 42 ASN CA C 13 53.667 . . 1 . 436 . . 42 ASN CA . 26580 1 446 . 1 1 42 42 ASN CB C 13 38.645 . . 1 . 437 . . 42 ASN CB . 26580 1 447 . 1 1 42 42 ASN N N 15 115.917 . . 1 . 435 . . 42 ASN N . 26580 1 448 . 1 1 43 43 TYR H H 1 7.443 . . 1 . 364 . . 43 TYR H . 26580 1 449 . 1 1 43 43 TYR HA H 1 4.674 . . 1 . 1009 . . 43 TYR HA . 26580 1 450 . 1 1 43 43 TYR HB2 H 1 3.037 . . 1 . 1541 . . 43 TYR HB2 . 26580 1 451 . 1 1 43 43 TYR HB3 H 1 3.037 . . 1 . 1659 . . 43 TYR HB3 . 26580 1 452 . 1 1 43 43 TYR C C 13 174.606 . . 1 . 697 . . 43 TYR C . 26580 1 453 . 1 1 43 43 TYR CA C 13 56.035 . . 1 . 366 . . 43 TYR CA . 26580 1 454 . 1 1 43 43 TYR CB C 13 39.152 . . 1 . 367 . . 43 TYR CB . 26580 1 455 . 1 1 43 43 TYR N N 15 119.328 . . 1 . 365 . . 43 TYR N . 26580 1 456 . 1 1 44 44 SER H H 1 8.155 . . 1 . 430 . . 44 SER H . 26580 1 457 . 1 1 44 44 SER HA H 1 4.684 . . 1 . 1218 . . 44 SER HA . 26580 1 458 . 1 1 44 44 SER C C 13 174.605 . . 1 . 715 . . 44 SER C . 26580 1 459 . 1 1 44 44 SER CA C 13 57.176 . . 1 . 432 . . 44 SER CA . 26580 1 460 . 1 1 44 44 SER CB C 13 62.492 . . 1 . 433 . . 44 SER CB . 26580 1 461 . 1 1 44 44 SER N N 15 116.477 . . 1 . 431 . . 44 SER N . 26580 1 462 . 1 1 45 45 LEU H H 1 8.486 . . 1 . 575 . . 45 LEU H . 26580 1 463 . 1 1 45 45 LEU HA H 1 4.229 . . 1 . 1286 . . 45 LEU HA . 26580 1 464 . 1 1 45 45 LEU HB2 H 1 1.880 . . 1 . 1621 . . 45 LEU HB2 . 26580 1 465 . 1 1 45 45 LEU HB3 H 1 1.880 . . 1 . 1660 . . 45 LEU HB3 . 26580 1 466 . 1 1 45 45 LEU HG H 1 1.572 . . 1 . 1316 . . 45 LEU HG . 26580 1 467 . 1 1 45 45 LEU HD11 H 1 0.888 . . 2 . 940 . . 45 LEU HD11 . 26580 1 468 . 1 1 45 45 LEU HD12 H 1 0.888 . . 2 . 940 . . 45 LEU HD12 . 26580 1 469 . 1 1 45 45 LEU HD13 H 1 0.888 . . 2 . 940 . . 45 LEU HD13 . 26580 1 470 . 1 1 45 45 LEU HD21 H 1 0.713 . . 2 . 961 . . 45 LEU HD21 . 26580 1 471 . 1 1 45 45 LEU HD22 H 1 0.713 . . 2 . 961 . . 45 LEU HD22 . 26580 1 472 . 1 1 45 45 LEU HD23 H 1 0.713 . . 2 . 961 . . 45 LEU HD23 . 26580 1 473 . 1 1 45 45 LEU CA C 13 56.901 . . 1 . 760 . . 45 LEU CA . 26580 1 474 . 1 1 45 45 LEU CB C 13 42.446 . . 1 . 577 . . 45 LEU CB . 26580 1 475 . 1 1 45 45 LEU CD1 C 13 24.195 . . 2 . 883 . . 45 LEU CD1 . 26580 1 476 . 1 1 45 45 LEU CD2 C 13 26.266 . . 2 . 898 . . 45 LEU CD2 . 26580 1 477 . 1 1 45 45 LEU N N 15 123.075 . . 1 . 576 . . 45 LEU N . 26580 1 478 . 1 1 46 46 CYS H H 1 7.178 . . 1 . 499 . . 46 CYS H . 26580 1 479 . 1 1 46 46 CYS HA H 1 5.171 . . 1 . 1200 . . 46 CYS HA . 26580 1 480 . 1 1 46 46 CYS HB2 H 1 2.586 . . 1 . 1622 . . 46 CYS HB2 . 26580 1 481 . 1 1 46 46 CYS HB3 H 1 2.586 . . 1 . 1661 . . 46 CYS HB3 . 26580 1 482 . 1 1 46 46 CYS C C 13 170.995 . . 1 . 735 . . 46 CYS C . 26580 1 483 . 1 1 46 46 CYS CA C 13 54.970 . . 1 . 501 . . 46 CYS CA . 26580 1 484 . 1 1 46 46 CYS CB C 13 30.792 . . 1 . 734 . . 46 CYS CB . 26580 1 485 . 1 1 46 46 CYS N N 15 108.079 . . 1 . 500 . . 46 CYS N . 26580 1 486 . 1 1 47 47 ASP H H 1 8.621 . . 1 . 247 . . 47 ASP H . 26580 1 487 . 1 1 47 47 ASP HA H 1 5.362 . . 1 . 1413 . . 47 ASP HA . 26580 1 488 . 1 1 47 47 ASP HB2 H 1 2.116 . . 1 . 1616 . . 47 ASP HB2 . 26580 1 489 . 1 1 47 47 ASP HB3 H 1 2.116 . . 1 . 1662 . . 47 ASP HB3 . 26580 1 490 . 1 1 47 47 ASP C C 13 173.834 . . 1 . 663 . . 47 ASP C . 26580 1 491 . 1 1 47 47 ASP CA C 13 51.894 . . 1 . 249 . . 47 ASP CA . 26580 1 492 . 1 1 47 47 ASP CB C 13 43.310 . . 1 . 250 . . 47 ASP CB . 26580 1 493 . 1 1 47 47 ASP N N 15 119.554 . . 1 . 248 . . 47 ASP N . 26580 1 494 . 1 1 48 48 ALA H H 1 9.473 . . 1 . 76 . . 48 ALA H . 26580 1 495 . 1 1 48 48 ALA HA H 1 4.907 . . 1 . 1010 . . 48 ALA HA . 26580 1 496 . 1 1 48 48 ALA HB1 H 1 0.831 . . 1 . 1052 . . 48 ALA HB1 . 26580 1 497 . 1 1 48 48 ALA HB2 H 1 0.831 . . 1 . 1052 . . 48 ALA HB2 . 26580 1 498 . 1 1 48 48 ALA HB3 H 1 0.831 . . 1 . 1052 . . 48 ALA HB3 . 26580 1 499 . 1 1 48 48 ALA C C 13 175.815 . . 1 . 619 . . 48 ALA C . 26580 1 500 . 1 1 48 48 ALA CA C 13 49.125 . . 1 . 78 . . 48 ALA CA . 26580 1 501 . 1 1 48 48 ALA CB C 13 21.918 . . 1 . 79 . . 48 ALA CB . 26580 1 502 . 1 1 48 48 ALA N N 15 126.853 . . 1 . 77 . . 48 ALA N . 26580 1 503 . 1 1 49 49 MET H H 1 8.590 . . 1 . 145 . . 49 MET H . 26580 1 504 . 1 1 49 49 MET HA H 1 4.433 . . 1 . 1336 . . 49 MET HA . 26580 1 505 . 1 1 49 49 MET HB2 H 1 2.278 . . 1 . 1596 . . 49 MET HB2 . 26580 1 506 . 1 1 49 49 MET HB3 H 1 2.278 . . 1 . 1663 . . 49 MET HB3 . 26580 1 507 . 1 1 49 49 MET HG2 H 1 2.577 . . 1 . 1590 . . 49 MET HG2 . 26580 1 508 . 1 1 49 49 MET HG3 H 1 2.577 . . 1 . 1664 . . 49 MET HG3 . 26580 1 509 . 1 1 49 49 MET HE1 H 1 1.939 . . 1 . 1354 . . 49 MET HE1 . 26580 1 510 . 1 1 49 49 MET HE2 H 1 1.939 . . 1 . 1354 . . 49 MET HE2 . 26580 1 511 . 1 1 49 49 MET HE3 H 1 1.939 . . 1 . 1354 . . 49 MET HE3 . 26580 1 512 . 1 1 49 49 MET C C 13 174.727 . . 1 . 639 . . 49 MET C . 26580 1 513 . 1 1 49 49 MET CA C 13 53.347 . . 1 . 147 . . 49 MET CA . 26580 1 514 . 1 1 49 49 MET CB C 13 31.421 . . 1 . 638 . . 49 MET CB . 26580 1 515 . 1 1 49 49 MET N N 15 122.039 . . 1 . 146 . . 49 MET N . 26580 1 516 . 1 1 50 50 LEU H H 1 7.970 . . 1 . 301 . . 50 LEU H . 26580 1 517 . 1 1 50 50 LEU HA H 1 4.335 . . 1 . 1356 . . 50 LEU HA . 26580 1 518 . 1 1 50 50 LEU HB2 H 1 1.586 . . 1 . 1597 . . 50 LEU HB2 . 26580 1 519 . 1 1 50 50 LEU HB3 H 1 1.586 . . 1 . 1665 . . 50 LEU HB3 . 26580 1 520 . 1 1 50 50 LEU HG H 1 1.281 . . 1 . 1259 . . 50 LEU HG . 26580 1 521 . 1 1 50 50 LEU HD11 H 1 0.440 . . 2 . 947 . . 50 LEU HD11 . 26580 1 522 . 1 1 50 50 LEU HD12 H 1 0.440 . . 2 . 947 . . 50 LEU HD12 . 26580 1 523 . 1 1 50 50 LEU HD13 H 1 0.440 . . 2 . 947 . . 50 LEU HD13 . 26580 1 524 . 1 1 50 50 LEU HD21 H 1 -0.155 . . 2 . 967 . . 50 LEU HD21 . 26580 1 525 . 1 1 50 50 LEU HD22 H 1 -0.155 . . 2 . 967 . . 50 LEU HD22 . 26580 1 526 . 1 1 50 50 LEU HD23 H 1 -0.155 . . 2 . 967 . . 50 LEU HD23 . 26580 1 527 . 1 1 50 50 LEU C C 13 177.519 . . 1 . 672 . . 50 LEU C . 26580 1 528 . 1 1 50 50 LEU CA C 13 53.495 . . 1 . 303 . . 50 LEU CA . 26580 1 529 . 1 1 50 50 LEU CB C 13 40.805 . . 1 . 304 . . 50 LEU CB . 26580 1 530 . 1 1 50 50 LEU CD1 C 13 25.486 . . 2 . 981 . . 50 LEU CD1 . 26580 1 531 . 1 1 50 50 LEU CD2 C 13 18.794 . . 2 . 899 . . 50 LEU CD2 . 26580 1 532 . 1 1 50 50 LEU N N 15 121.143 . . 1 . 302 . . 50 LEU N . 26580 1 533 . 1 1 51 51 THR H H 1 8.885 . . 1 . 151 . . 51 THR H . 26580 1 534 . 1 1 51 51 THR HA H 1 4.605 . . 1 . 1279 . . 51 THR HA . 26580 1 535 . 1 1 51 51 THR HB H 1 3.879 . . 1 . 1280 . . 51 THR HB . 26580 1 536 . 1 1 51 51 THR HG21 H 1 1.333 . . 1 . 1101 . . 51 THR HG21 . 26580 1 537 . 1 1 51 51 THR HG22 H 1 1.333 . . 1 . 1101 . . 51 THR HG22 . 26580 1 538 . 1 1 51 51 THR HG23 H 1 1.333 . . 1 . 1101 . . 51 THR HG23 . 26580 1 539 . 1 1 51 51 THR C C 13 173.604 . . 1 . 641 . . 51 THR C . 26580 1 540 . 1 1 51 51 THR CA C 13 61.253 . . 1 . 153 . . 51 THR CA . 26580 1 541 . 1 1 51 51 THR CB C 13 70.539 . . 1 . 154 . . 51 THR CB . 26580 1 542 . 1 1 51 51 THR CG2 C 13 20.034 . . 1 . 992 . . 51 THR CG2 . 26580 1 543 . 1 1 51 51 THR N N 15 121.832 . . 1 . 152 . . 51 THR N . 26580 1 544 . 1 1 52 52 THR H H 1 8.252 . . 1 . 685 . . 52 THR H . 26580 1 545 . 1 1 52 52 THR HA H 1 4.140 . . 1 . 1358 . . 52 THR HA . 26580 1 546 . 1 1 52 52 THR HB H 1 4.275 . . 1 . 1359 . . 52 THR HB . 26580 1 547 . 1 1 52 52 THR HG21 H 1 1.220 . . 1 . 1104 . . 52 THR HG21 . 26580 1 548 . 1 1 52 52 THR HG22 H 1 1.220 . . 1 . 1104 . . 52 THR HG22 . 26580 1 549 . 1 1 52 52 THR HG23 H 1 1.220 . . 1 . 1104 . . 52 THR HG23 . 26580 1 550 . 1 1 52 52 THR C C 13 174.421 . . 1 . 689 . . 52 THR C . 26580 1 551 . 1 1 52 52 THR CA C 13 62.447 . . 1 . 761 . . 52 THR CA . 26580 1 552 . 1 1 52 52 THR CB C 13 68.998 . . 1 . 687 . . 52 THR CB . 26580 1 553 . 1 1 52 52 THR CG2 C 13 22.951 . . 1 . 989 . . 52 THR CG2 . 26580 1 554 . 1 1 52 52 THR N N 15 118.274 . . 1 . 686 . . 52 THR N . 26580 1 555 . 1 1 53 53 ASP H H 1 9.119 . . 1 . 462 . . 53 ASP H . 26580 1 556 . 1 1 53 53 ASP HA H 1 4.699 . . 1 . 1360 . . 53 ASP HA . 26580 1 557 . 1 1 53 53 ASP HB2 H 1 2.741 . . 1 . 1599 . . 53 ASP HB2 . 26580 1 558 . 1 1 53 53 ASP HB3 H 1 2.741 . . 1 . 1666 . . 53 ASP HB3 . 26580 1 559 . 1 1 53 53 ASP C C 13 174.146 . . 1 . 724 . . 53 ASP C . 26580 1 560 . 1 1 53 53 ASP CA C 13 56.741 . . 1 . 464 . . 53 ASP CA . 26580 1 561 . 1 1 53 53 ASP CB C 13 38.826 . . 1 . 465 . . 53 ASP CB . 26580 1 562 . 1 1 53 53 ASP N N 15 114.595 . . 1 . 463 . . 53 ASP N . 26580 1 563 . 1 1 54 54 ILE H H 1 7.737 . . 1 . 277 . . 54 ILE H . 26580 1 564 . 1 1 54 54 ILE HA H 1 4.050 . . 1 . 1276 . . 54 ILE HA . 26580 1 565 . 1 1 54 54 ILE HB H 1 1.363 . . 1 . 1258 . . 54 ILE HB . 26580 1 566 . 1 1 54 54 ILE HG12 H 1 1.047 . . 1 . 1257 . . 54 ILE HG12 . 26580 1 567 . 1 1 54 54 ILE HG21 H 1 0.105 . . 1 . 1094 . . 54 ILE HG21 . 26580 1 568 . 1 1 54 54 ILE HG22 H 1 0.105 . . 1 . 1094 . . 54 ILE HG22 . 26580 1 569 . 1 1 54 54 ILE HG23 H 1 0.105 . . 1 . 1094 . . 54 ILE HG23 . 26580 1 570 . 1 1 54 54 ILE HD11 H 1 0.592 . . 1 . 941 . . 54 ILE HD11 . 26580 1 571 . 1 1 54 54 ILE HD12 H 1 0.592 . . 1 . 941 . . 54 ILE HD12 . 26580 1 572 . 1 1 54 54 ILE HD13 H 1 0.592 . . 1 . 941 . . 54 ILE HD13 . 26580 1 573 . 1 1 54 54 ILE C C 13 174.674 . . 1 . 669 . . 54 ILE C . 26580 1 574 . 1 1 54 54 ILE CA C 13 57.971 . . 1 . 279 . . 54 ILE CA . 26580 1 575 . 1 1 54 54 ILE CB C 13 38.198 . . 1 . 280 . . 54 ILE CB . 26580 1 576 . 1 1 54 54 ILE CG1 C 13 26.520 . . 1 . 1176 . . 54 ILE CG1 . 26580 1 577 . 1 1 54 54 ILE CG2 C 13 16.325 . . 1 . 1168 . . 54 ILE CG2 . 26580 1 578 . 1 1 54 54 ILE CD1 C 13 10.058 . . 1 . 870 . . 54 ILE CD1 . 26580 1 579 . 1 1 54 54 ILE N N 15 121.247 . . 1 . 278 . . 54 ILE N . 26580 1 580 . 1 1 55 55 VAL H H 1 8.119 . . 1 . 27 . . 55 VAL H . 26580 1 581 . 1 1 55 55 VAL HA H 1 3.720 . . 1 . 1289 . . 55 VAL HA . 26580 1 582 . 1 1 55 55 VAL HB H 1 1.734 . . 1 . 1053 . . 55 VAL HB . 26580 1 583 . 1 1 55 55 VAL HG11 H 1 0.740 . . 2 . 910 . . 55 VAL HG11 . 26580 1 584 . 1 1 55 55 VAL HG12 H 1 0.740 . . 2 . 910 . . 55 VAL HG12 . 26580 1 585 . 1 1 55 55 VAL HG13 H 1 0.740 . . 2 . 910 . . 55 VAL HG13 . 26580 1 586 . 1 1 55 55 VAL HG21 H 1 0.587 . . 2 . 923 . . 55 VAL HG21 . 26580 1 587 . 1 1 55 55 VAL HG22 H 1 0.587 . . 2 . 923 . . 55 VAL HG22 . 26580 1 588 . 1 1 55 55 VAL HG23 H 1 0.587 . . 2 . 923 . . 55 VAL HG23 . 26580 1 589 . 1 1 55 55 VAL C C 13 175.376 . . 1 . 579 . . 55 VAL C . 26580 1 590 . 1 1 55 55 VAL CA C 13 62.266 . . 1 . 29 . . 55 VAL CA . 26580 1 591 . 1 1 55 55 VAL CB C 13 30.638 . . 1 . 580 . . 55 VAL CB . 26580 1 592 . 1 1 55 55 VAL CG1 C 13 20.487 . . 2 . 826 . . 55 VAL CG1 . 26580 1 593 . 1 1 55 55 VAL CG2 C 13 22.199 . . 2 . 839 . . 55 VAL CG2 . 26580 1 594 . 1 1 55 55 VAL N N 15 124.474 . . 1 . 28 . . 55 VAL N . 26580 1 595 . 1 1 56 56 TYR H H 1 8.944 . . 1 . 111 . . 56 TYR H . 26580 1 596 . 1 1 56 56 TYR HA H 1 5.163 . . 1 . 1338 . . 56 TYR HA . 26580 1 597 . 1 1 56 56 TYR HB2 H 1 2.895 . . 1 . 1591 . . 56 TYR HB2 . 26580 1 598 . 1 1 56 56 TYR HB3 H 1 2.895 . . 1 . 1667 . . 56 TYR HB3 . 26580 1 599 . 1 1 56 56 TYR C C 13 176.676 . . 1 . 628 . . 56 TYR C . 26580 1 600 . 1 1 56 56 TYR CA C 13 54.259 . . 1 . 113 . . 56 TYR CA . 26580 1 601 . 1 1 56 56 TYR CB C 13 40.247 . . 1 . 114 . . 56 TYR CB . 26580 1 602 . 1 1 56 56 TYR N N 15 125.438 . . 1 . 112 . . 56 TYR N . 26580 1 603 . 1 1 58 58 VAL H H 1 8.364 . . 1 . 30 . . 58 VAL H . 26580 1 604 . 1 1 58 58 VAL HA H 1 3.459 . . 1 . 1285 . . 58 VAL HA . 26580 1 605 . 1 1 58 58 VAL HB H 1 2.009 . . 1 . 1256 . . 58 VAL HB . 26580 1 606 . 1 1 58 58 VAL HG11 H 1 0.830 . . 2 . 915 . . 58 VAL HG11 . 26580 1 607 . 1 1 58 58 VAL HG12 H 1 0.830 . . 2 . 915 . . 58 VAL HG12 . 26580 1 608 . 1 1 58 58 VAL HG13 H 1 0.830 . . 2 . 915 . . 58 VAL HG13 . 26580 1 609 . 1 1 58 58 VAL HG21 H 1 0.949 . . 2 . 928 . . 58 VAL HG21 . 26580 1 610 . 1 1 58 58 VAL HG22 H 1 0.949 . . 2 . 928 . . 58 VAL HG22 . 26580 1 611 . 1 1 58 58 VAL HG23 H 1 0.949 . . 2 . 928 . . 58 VAL HG23 . 26580 1 612 . 1 1 58 58 VAL CA C 13 66.800 . . 1 . 32 . . 58 VAL CA . 26580 1 613 . 1 1 58 58 VAL CB C 13 32.010 . . 1 . 33 . . 58 VAL CB . 26580 1 614 . 1 1 58 58 VAL CG1 C 13 20.691 . . 2 . 837 . . 58 VAL CG1 . 26580 1 615 . 1 1 58 58 VAL CG2 C 13 23.211 . . 2 . 846 . . 58 VAL CG2 . 26580 1 616 . 1 1 58 58 VAL N N 15 124.890 . . 1 . 31 . . 58 VAL N . 26580 1 617 . 1 1 59 59 GLU H H 1 7.813 . . 1 . 543 . . 59 GLU H . 26580 1 618 . 1 1 59 59 GLU HA H 1 4.697 . . 1 . 997 . . 59 GLU HA . 26580 1 619 . 1 1 59 59 GLU HB2 H 1 1.950 . . 1 . 1470 . . 59 GLU HB2 . 26580 1 620 . 1 1 59 59 GLU HB3 H 1 1.950 . . 1 . 1668 . . 59 GLU HB3 . 26580 1 621 . 1 1 59 59 GLU C C 13 177.683 . . 1 . 791 . . 59 GLU C . 26580 1 622 . 1 1 59 59 GLU CA C 13 60.479 . . 1 . 764 . . 59 GLU CA . 26580 1 623 . 1 1 59 59 GLU CB C 13 29.031 . . 1 . 777 . . 59 GLU CB . 26580 1 624 . 1 1 59 59 GLU N N 15 121.203 . . 1 . 544 . . 59 GLU N . 26580 1 625 . 1 1 60 60 TYR H H 1 8.984 . . 1 . 191 . . 60 TYR H . 26580 1 626 . 1 1 60 60 TYR HA H 1 4.010 . . 1 . 1201 . . 60 TYR HA . 26580 1 627 . 1 1 60 60 TYR HB2 H 1 3.055 . . 1 . 1531 . . 60 TYR HB2 . 26580 1 628 . 1 1 60 60 TYR HB3 H 1 3.055 . . 1 . 1669 . . 60 TYR HB3 . 26580 1 629 . 1 1 60 60 TYR C C 13 177.609 . . 1 . 651 . . 60 TYR C . 26580 1 630 . 1 1 60 60 TYR CA C 13 60.758 . . 1 . 193 . . 60 TYR CA . 26580 1 631 . 1 1 60 60 TYR CB C 13 38.049 . . 1 . 194 . . 60 TYR CB . 26580 1 632 . 1 1 60 60 TYR N N 15 120.453 . . 1 . 192 . . 60 TYR N . 26580 1 633 . 1 1 61 61 LEU H H 1 8.157 . . 1 . 559 . . 61 LEU H . 26580 1 634 . 1 1 61 61 LEU HB2 H 1 1.765 . . 1 . 1563 . . 61 LEU HB2 . 26580 1 635 . 1 1 61 61 LEU HB3 H 1 1.765 . . 1 . 1670 . . 61 LEU HB3 . 26580 1 636 . 1 1 61 61 LEU HD11 H 1 1.156 . . 2 . 959 . . 61 LEU HD11 . 26580 1 637 . 1 1 61 61 LEU HD12 H 1 1.156 . . 2 . 959 . . 61 LEU HD12 . 26580 1 638 . 1 1 61 61 LEU HD13 H 1 1.156 . . 2 . 959 . . 61 LEU HD13 . 26580 1 639 . 1 1 61 61 LEU HD21 H 1 0.674 . . 2 . 975 . . 61 LEU HD21 . 26580 1 640 . 1 1 61 61 LEU HD22 H 1 0.674 . . 2 . 975 . . 61 LEU HD22 . 26580 1 641 . 1 1 61 61 LEU HD23 H 1 0.674 . . 2 . 975 . . 61 LEU HD23 . 26580 1 642 . 1 1 61 61 LEU C C 13 178.330 . . 1 . 756 . . 61 LEU C . 26580 1 643 . 1 1 61 61 LEU CA C 13 57.838 . . 1 . 562 . . 61 LEU CA . 26580 1 644 . 1 1 61 61 LEU CB C 13 41.837 . . 1 . 755 . . 61 LEU CB . 26580 1 645 . 1 1 61 61 LEU CD1 C 13 24.053 . . 2 . 884 . . 61 LEU CD1 . 26580 1 646 . 1 1 61 61 LEU CD2 C 13 26.029 . . 2 . 900 . . 61 LEU CD2 . 26580 1 647 . 1 1 61 61 LEU N N 15 119.525 . . 1 . 560 . . 61 LEU N . 26580 1 648 . 1 1 62 62 LEU H H 1 8.590 . . 1 . 244 . . 62 LEU H . 26580 1 649 . 1 1 62 62 LEU HD11 H 1 -0.536 . . 2 . 948 . . 62 LEU HD11 . 26580 1 650 . 1 1 62 62 LEU HD12 H 1 -0.536 . . 2 . 948 . . 62 LEU HD12 . 26580 1 651 . 1 1 62 62 LEU HD13 H 1 -0.536 . . 2 . 948 . . 62 LEU HD13 . 26580 1 652 . 1 1 62 62 LEU HD21 H 1 0.176 . . 2 . 968 . . 62 LEU HD21 . 26580 1 653 . 1 1 62 62 LEU HD22 H 1 0.176 . . 2 . 968 . . 62 LEU HD22 . 26580 1 654 . 1 1 62 62 LEU HD23 H 1 0.176 . . 2 . 968 . . 62 LEU HD23 . 26580 1 655 . 1 1 62 62 LEU C C 13 178.995 . . 1 . 662 . . 62 LEU C . 26580 1 656 . 1 1 62 62 LEU CA C 13 57.940 . . 1 . 246 . . 62 LEU CA . 26580 1 657 . 1 1 62 62 LEU CB C 13 42.519 . . 1 . 661 . . 62 LEU CB . 26580 1 658 . 1 1 62 62 LEU CG C 13 27.116 . . 1 . 825 . . 62 LEU CG . 26580 1 659 . 1 1 62 62 LEU CD1 C 13 21.934 . . 2 . 885 . . 62 LEU CD1 . 26580 1 660 . 1 1 62 62 LEU CD2 C 13 25.926 . . 2 . 901 . . 62 LEU CD2 . 26580 1 661 . 1 1 62 62 LEU N N 15 120.474 . . 1 . 245 . . 62 LEU N . 26580 1 662 . 1 1 63 63 SER H H 1 8.037 . . 1 . 470 . . 63 SER H . 26580 1 663 . 1 1 63 63 SER HA H 1 3.986 . . 1 . 1332 . . 63 SER HA . 26580 1 664 . 1 1 63 63 SER HB2 H 1 3.857 . . 1 . 1055 . . 63 SER HB2 . 26580 1 665 . 1 1 63 63 SER HB3 H 1 3.857 . . 1 . 1453 . . 63 SER HB3 . 26580 1 666 . 1 1 63 63 SER C C 13 176.488 . . 1 . 726 . . 63 SER C . 26580 1 667 . 1 1 63 63 SER CA C 13 61.653 . . 1 . 472 . . 63 SER CA . 26580 1 668 . 1 1 63 63 SER CB C 13 62.708 . . 1 . 473 . . 63 SER CB . 26580 1 669 . 1 1 63 63 SER N N 15 114.249 . . 1 . 471 . . 63 SER N . 26580 1 670 . 1 1 64 64 TYR H H 1 8.564 . . 1 . 50 . . 64 TYR H . 26580 1 671 . 1 1 64 64 TYR C C 13 177.264 . . 1 . 612 . . 64 TYR C . 26580 1 672 . 1 1 64 64 TYR CA C 13 62.125 . . 1 . 52 . . 64 TYR CA . 26580 1 673 . 1 1 64 64 TYR CB C 13 37.845 . . 1 . 611 . . 64 TYR CB . 26580 1 674 . 1 1 64 64 TYR N N 15 124.401 . . 1 . 51 . . 64 TYR N . 26580 1 675 . 1 1 65 65 TRP H H 1 8.918 . . 1 . 195 . . 65 TRP H . 26580 1 676 . 1 1 65 65 TRP HB2 H 1 3.378 . . 1 . 1471 . . 65 TRP HB2 . 26580 1 677 . 1 1 65 65 TRP HB3 H 1 3.378 . . 1 . 1671 . . 65 TRP HB3 . 26580 1 678 . 1 1 65 65 TRP C C 13 180.515 . . 1 . 652 . . 65 TRP C . 26580 1 679 . 1 1 65 65 TRP CA C 13 61.859 . . 1 . 218 . . 65 TRP CA . 26580 1 680 . 1 1 65 65 TRP CB C 13 27.565 . . 1 . 197 . . 65 TRP CB . 26580 1 681 . 1 1 65 65 TRP N N 15 120.055 . . 1 . 196 . . 65 TRP N . 26580 1 682 . 1 1 66 66 GLU H H 1 8.230 . . 1 . 281 . . 66 GLU H . 26580 1 683 . 1 1 66 66 GLU HA H 1 3.704 . . 1 . 1429 . . 66 GLU HA . 26580 1 684 . 1 1 66 66 GLU HB2 H 1 1.885 . . 1 . 1472 . . 66 GLU HB2 . 26580 1 685 . 1 1 66 66 GLU HB3 H 1 1.885 . . 1 . 1672 . . 66 GLU HB3 . 26580 1 686 . 1 1 66 66 GLU HG2 H 1 2.425 . . 1 . 1105 . . 66 GLU HG2 . 26580 1 687 . 1 1 66 66 GLU HG3 H 1 2.425 . . 1 . 1435 . . 66 GLU HG3 . 26580 1 688 . 1 1 66 66 GLU C C 13 179.582 . . 1 . 670 . . 66 GLU C . 26580 1 689 . 1 1 66 66 GLU CA C 13 59.752 . . 1 . 283 . . 66 GLU CA . 26580 1 690 . 1 1 66 66 GLU CB C 13 28.613 . . 1 . 284 . . 66 GLU CB . 26580 1 691 . 1 1 66 66 GLU CG C 13 36.885 . . 1 . 805 . . 66 GLU CG . 26580 1 692 . 1 1 66 66 GLU N N 15 121.354 . . 1 . 282 . . 66 GLU N . 26580 1 693 . 1 1 67 67 CYS H H 1 8.307 . . 1 . 312 . . 67 CYS H . 26580 1 694 . 1 1 67 67 CYS HA H 1 3.927 . . 1 . 1375 . . 67 CYS HA . 26580 1 695 . 1 1 67 67 CYS HB2 H 1 2.721 . . 1 . 1254 . . 67 CYS HB2 . 26580 1 696 . 1 1 67 67 CYS HB3 H 1 2.721 . . 1 . 1436 . . 67 CYS HB3 . 26580 1 697 . 1 1 67 67 CYS C C 13 177.230 . . 1 . 676 . . 67 CYS C . 26580 1 698 . 1 1 67 67 CYS CA C 13 62.057 . . 1 . 314 . . 67 CYS CA . 26580 1 699 . 1 1 67 67 CYS CB C 13 26.059 . . 1 . 315 . . 67 CYS CB . 26580 1 700 . 1 1 67 67 CYS N N 15 120.248 . . 1 . 313 . . 67 CYS N . 26580 1 701 . 1 1 68 68 ARG H H 1 8.330 . . 1 . 399 . . 68 ARG H . 26580 1 702 . 1 1 68 68 ARG HD2 H 1 3.029 . . 1 . 1516 . . 68 ARG HD2 . 26580 1 703 . 1 1 68 68 ARG HD3 H 1 3.029 . . 1 . 1673 . . 68 ARG HD3 . 26580 1 704 . 1 1 68 68 ARG C C 13 177.648 . . 1 . 707 . . 68 ARG C . 26580 1 705 . 1 1 68 68 ARG CA C 13 55.840 . . 1 . 401 . . 68 ARG CA . 26580 1 706 . 1 1 68 68 ARG CB C 13 28.517 . . 1 . 402 . . 68 ARG CB . 26580 1 707 . 1 1 68 68 ARG CD C 13 41.170 . . 1 . 1182 . . 68 ARG CD . 26580 1 708 . 1 1 68 68 ARG N N 15 117.497 . . 1 . 400 . . 68 ARG N . 26580 1 709 . 1 1 69 69 SER H H 1 7.869 . . 1 . 492 . . 69 SER H . 26580 1 710 . 1 1 69 69 SER HA H 1 4.110 . . 1 . 1333 . . 69 SER HA . 26580 1 711 . 1 1 69 69 SER HB2 H 1 3.513 . . 1 . 1334 . . 69 SER HB2 . 26580 1 712 . 1 1 69 69 SER HB3 H 1 3.513 . . 1 . 1454 . . 69 SER HB3 . 26580 1 713 . 1 1 69 69 SER C C 13 175.447 . . 1 . 732 . . 69 SER C . 26580 1 714 . 1 1 69 69 SER CA C 13 59.201 . . 1 . 494 . . 69 SER CA . 26580 1 715 . 1 1 69 69 SER CB C 13 65.552 . . 1 . 495 . . 69 SER CB . 26580 1 716 . 1 1 69 69 SER N N 15 110.500 . . 1 . 493 . . 69 SER N . 26580 1 717 . 1 1 70 70 GLY H H 1 7.817 . . 1 . 522 . . 70 GLY H . 26580 1 718 . 1 1 70 70 GLY HA2 H 1 4.408 . . 1 . 1808 . . 70 GLY HA2 . 26580 1 719 . 1 1 70 70 GLY HA3 H 1 4.408 . . 1 . 1896 . . 70 GLY HA3 . 26580 1 720 . 1 1 70 70 GLY C C 13 173.122 . . 1 . 741 . . 70 GLY C . 26580 1 721 . 1 1 70 70 GLY CA C 13 45.694 . . 1 . 524 . . 70 GLY CA . 26580 1 722 . 1 1 70 70 GLY N N 15 112.723 . . 1 . 523 . . 70 GLY N . 26580 1 723 . 1 1 71 71 ARG H H 1 7.930 . . 1 . 309 . . 71 ARG H . 26580 1 724 . 1 1 71 71 ARG HA H 1 4.580 . . 1 . 1294 . . 71 ARG HA . 26580 1 725 . 1 1 71 71 ARG HB2 H 1 1.793 . . 1 . 1473 . . 71 ARG HB2 . 26580 1 726 . 1 1 71 71 ARG HB3 H 1 1.793 . . 1 . 1674 . . 71 ARG HB3 . 26580 1 727 . 1 1 71 71 ARG HG2 H 1 1.439 . . 1 . 1500 . . 71 ARG HG2 . 26580 1 728 . 1 1 71 71 ARG HG3 H 1 1.439 . . 1 . 1676 . . 71 ARG HG3 . 26580 1 729 . 1 1 71 71 ARG HD2 H 1 2.990 . . 1 . 1517 . . 71 ARG HD2 . 26580 1 730 . 1 1 71 71 ARG HD3 H 1 2.990 . . 1 . 1675 . . 71 ARG HD3 . 26580 1 731 . 1 1 71 71 ARG C C 13 174.522 . . 1 . 675 . . 71 ARG C . 26580 1 732 . 1 1 71 71 ARG CA C 13 52.949 . . 1 . 311 . . 71 ARG CA . 26580 1 733 . 1 1 71 71 ARG CB C 13 32.967 . . 1 . 674 . . 71 ARG CB . 26580 1 734 . 1 1 71 71 ARG CG C 13 25.957 . . 1 . 806 . . 71 ARG CG . 26580 1 735 . 1 1 71 71 ARG CD C 13 42.736 . . 1 . 858 . . 71 ARG CD . 26580 1 736 . 1 1 71 71 ARG N N 15 120.267 . . 1 . 310 . . 71 ARG N . 26580 1 737 . 1 1 72 72 THR H H 1 7.842 . . 1 . 474 . . 72 THR H . 26580 1 738 . 1 1 72 72 THR HA H 1 3.976 . . 1 . 1304 . . 72 THR HA . 26580 1 739 . 1 1 72 72 THR HB H 1 3.830 . . 1 . 1305 . . 72 THR HB . 26580 1 740 . 1 1 72 72 THR HG21 H 1 1.097 . . 1 . 1106 . . 72 THR HG21 . 26580 1 741 . 1 1 72 72 THR HG22 H 1 1.097 . . 1 . 1106 . . 72 THR HG22 . 26580 1 742 . 1 1 72 72 THR HG23 H 1 1.097 . . 1 . 1106 . . 72 THR HG23 . 26580 1 743 . 1 1 72 72 THR C C 13 172.962 . . 1 . 727 . . 72 THR C . 26580 1 744 . 1 1 72 72 THR CA C 13 62.311 . . 1 . 476 . . 72 THR CA . 26580 1 745 . 1 1 72 72 THR CB C 13 69.482 . . 1 . 477 . . 72 THR CB . 26580 1 746 . 1 1 72 72 THR CG2 C 13 21.124 . . 1 . 993 . . 72 THR CG2 . 26580 1 747 . 1 1 72 72 THR N N 15 114.509 . . 1 . 475 . . 72 THR N . 26580 1 748 . 1 1 73 73 ALA H H 1 8.224 . . 1 . 38 . . 73 ALA H . 26580 1 749 . 1 1 73 73 ALA HA H 1 4.965 . . 1 . 1282 . . 73 ALA HA . 26580 1 750 . 1 1 73 73 ALA HB1 H 1 1.289 . . 1 . 1060 . . 73 ALA HB1 . 26580 1 751 . 1 1 73 73 ALA HB2 H 1 1.289 . . 1 . 1060 . . 73 ALA HB2 . 26580 1 752 . 1 1 73 73 ALA HB3 H 1 1.289 . . 1 . 1060 . . 73 ALA HB3 . 26580 1 753 . 1 1 73 73 ALA C C 13 176.342 . . 1 . 608 . . 73 ALA C . 26580 1 754 . 1 1 73 73 ALA CA C 13 50.257 . . 1 . 40 . . 73 ALA CA . 26580 1 755 . 1 1 73 73 ALA CB C 13 22.065 . . 1 . 41 . . 73 ALA CB . 26580 1 756 . 1 1 73 73 ALA N N 15 126.798 . . 1 . 39 . . 73 ALA N . 26580 1 757 . 1 1 74 74 CYS H H 1 8.081 . . 1 . 267 . . 74 CYS H . 26580 1 758 . 1 1 74 74 CYS HA H 1 4.367 . . 1 . 1011 . . 74 CYS HA . 26580 1 759 . 1 1 74 74 CYS C C 13 172.377 . . 1 . 594 . . 74 CYS C . 26580 1 760 . 1 1 74 74 CYS CA C 13 57.518 . . 1 . 269 . . 74 CYS CA . 26580 1 761 . 1 1 74 74 CYS CB C 13 28.878 . . 1 . 593 . . 74 CYS CB . 26580 1 762 . 1 1 74 74 CYS N N 15 121.347 . . 1 . 268 . . 74 CYS N . 26580 1 763 . 1 1 75 75 PHE H H 1 8.339 . . 1 . 42 . . 75 PHE H . 26580 1 764 . 1 1 75 75 PHE HA H 1 5.896 . . 1 . 1252 . . 75 PHE HA . 26580 1 765 . 1 1 75 75 PHE HB2 H 1 2.602 . . 1 . 1562 . . 75 PHE HB2 . 26580 1 766 . 1 1 75 75 PHE HB3 H 1 2.602 . . 1 . 1677 . . 75 PHE HB3 . 26580 1 767 . 1 1 75 75 PHE C C 13 174.359 . . 1 . 609 . . 75 PHE C . 26580 1 768 . 1 1 75 75 PHE CA C 13 50.895 . . 1 . 44 . . 75 PHE CA . 26580 1 769 . 1 1 75 75 PHE CB C 13 39.879 . . 1 . 45 . . 75 PHE CB . 26580 1 770 . 1 1 75 75 PHE N N 15 126.797 . . 1 . 43 . . 75 PHE N . 26580 1 771 . 1 1 76 76 VAL H H 1 9.066 . . 1 . 179 . . 76 VAL H . 26580 1 772 . 1 1 76 76 VAL HA H 1 4.984 . . 1 . 1385 . . 76 VAL HA . 26580 1 773 . 1 1 76 76 VAL HB H 1 1.866 . . 1 . 1250 . . 76 VAL HB . 26580 1 774 . 1 1 76 76 VAL HG11 H 1 0.710 . . 2 . 916 . . 76 VAL HG11 . 26580 1 775 . 1 1 76 76 VAL HG12 H 1 0.710 . . 2 . 916 . . 76 VAL HG12 . 26580 1 776 . 1 1 76 76 VAL HG13 H 1 0.710 . . 2 . 916 . . 76 VAL HG13 . 26580 1 777 . 1 1 76 76 VAL HG21 H 1 0.752 . . 2 . 929 . . 76 VAL HG21 . 26580 1 778 . 1 1 76 76 VAL HG22 H 1 0.752 . . 2 . 929 . . 76 VAL HG22 . 26580 1 779 . 1 1 76 76 VAL HG23 H 1 0.752 . . 2 . 929 . . 76 VAL HG23 . 26580 1 780 . 1 1 76 76 VAL C C 13 177.445 . . 1 . 648 . . 76 VAL C . 26580 1 781 . 1 1 76 76 VAL CA C 13 59.999 . . 1 . 181 . . 76 VAL CA . 26580 1 782 . 1 1 76 76 VAL CB C 13 35.518 . . 1 . 182 . . 76 VAL CB . 26580 1 783 . 1 1 76 76 VAL CG1 C 13 21.695 . . 2 . 827 . . 76 VAL CG1 . 26580 1 784 . 1 1 76 76 VAL CG2 C 13 22.910 . . 2 . 840 . . 76 VAL CG2 . 26580 1 785 . 1 1 76 76 VAL N N 15 121.023 . . 1 . 180 . . 76 VAL N . 26580 1 786 . 1 1 77 77 PHE H H 1 9.309 . . 1 . 5 . . 77 PHE H . 26580 1 787 . 1 1 77 77 PHE HA H 1 5.277 . . 1 . 1012 . . 77 PHE HA . 26580 1 788 . 1 1 77 77 PHE HB2 H 1 2.453 . . 1 . 1474 . . 77 PHE HB2 . 26580 1 789 . 1 1 77 77 PHE HB3 H 1 2.453 . . 1 . 1678 . . 77 PHE HB3 . 26580 1 790 . 1 1 77 77 PHE C C 13 175.023 . . 1 . 599 . . 77 PHE C . 26580 1 791 . 1 1 77 77 PHE CA C 13 56.446 . . 1 . 88 . . 77 PHE CA . 26580 1 792 . 1 1 77 77 PHE CB C 13 41.484 . . 1 . 89 . . 77 PHE CB . 26580 1 793 . 1 1 77 77 PHE N N 15 128.618 . . 1 . 6 . . 77 PHE N . 26580 1 794 . 1 1 78 78 LYS H H 1 8.886 . . 1 . 183 . . 78 LYS H . 26580 1 795 . 1 1 78 78 LYS HA H 1 5.100 . . 1 . 1386 . . 78 LYS HA . 26580 1 796 . 1 1 78 78 LYS HG2 H 1 0.847 . . 1 . 1107 . . 78 LYS HG2 . 26580 1 797 . 1 1 78 78 LYS HG3 H 1 0.847 . . 1 . 1437 . . 78 LYS HG3 . 26580 1 798 . 1 1 78 78 LYS HD2 H 1 1.300 . . 1 . 1518 . . 78 LYS HD2 . 26580 1 799 . 1 1 78 78 LYS HD3 H 1 1.300 . . 1 . 1679 . . 78 LYS HD3 . 26580 1 800 . 1 1 78 78 LYS HE2 H 1 2.609 . . 1 . 1525 . . 78 LYS HE2 . 26580 1 801 . 1 1 78 78 LYS HE3 H 1 2.609 . . 1 . 1680 . . 78 LYS HE3 . 26580 1 802 . 1 1 78 78 LYS C C 13 174.897 . . 1 . 649 . . 78 LYS C . 26580 1 803 . 1 1 78 78 LYS CA C 13 54.745 . . 1 . 185 . . 78 LYS CA . 26580 1 804 . 1 1 78 78 LYS CB C 13 36.220 . . 1 . 186 . . 78 LYS CB . 26580 1 805 . 1 1 78 78 LYS CG C 13 24.522 . . 1 . 807 . . 78 LYS CG . 26580 1 806 . 1 1 78 78 LYS CD C 13 28.625 . . 1 . 859 . . 78 LYS CD . 26580 1 807 . 1 1 78 78 LYS CE C 13 41.853 . . 1 . 1187 . . 78 LYS CE . 26580 1 808 . 1 1 78 78 LYS N N 15 120.908 . . 1 . 184 . . 78 LYS N . 26580 1 809 . 1 1 79 79 ASN H H 1 7.850 . . 1 . 273 . . 79 ASN H . 26580 1 810 . 1 1 79 79 ASN HA H 1 4.797 . . 1 . 998 . . 79 ASN HA . 26580 1 811 . 1 1 79 79 ASN HB2 H 1 2.852 . . 1 . 1475 . . 79 ASN HB2 . 26580 1 812 . 1 1 79 79 ASN HB3 H 1 2.852 . . 1 . 1681 . . 79 ASN HB3 . 26580 1 813 . 1 1 79 79 ASN C C 13 175.985 . . 1 . 668 . . 79 ASN C . 26580 1 814 . 1 1 79 79 ASN CA C 13 51.073 . . 1 . 275 . . 79 ASN CA . 26580 1 815 . 1 1 79 79 ASN CB C 13 37.936 . . 1 . 276 . . 79 ASN CB . 26580 1 816 . 1 1 79 79 ASN N N 15 121.783 . . 1 . 274 . . 79 ASN N . 26580 1 817 . 1 1 80 80 THR H H 1 8.401 . . 1 . 395 . . 80 THR H . 26580 1 818 . 1 1 80 80 THR HA H 1 4.465 . . 1 . 1013 . . 80 THR HA . 26580 1 819 . 1 1 80 80 THR HG21 H 1 1.033 . . 1 . 1108 . . 80 THR HG21 . 26580 1 820 . 1 1 80 80 THR HG22 H 1 1.033 . . 1 . 1108 . . 80 THR HG22 . 26580 1 821 . 1 1 80 80 THR HG23 H 1 1.033 . . 1 . 1108 . . 80 THR HG23 . 26580 1 822 . 1 1 80 80 THR C C 13 175.201 . . 1 . 706 . . 80 THR C . 26580 1 823 . 1 1 80 80 THR CA C 13 61.239 . . 1 . 397 . . 80 THR CA . 26580 1 824 . 1 1 80 80 THR CB C 13 69.354 . . 1 . 398 . . 80 THR CB . 26580 1 825 . 1 1 80 80 THR CG2 C 13 21.277 . . 1 . 988 . . 80 THR CG2 . 26580 1 826 . 1 1 80 80 THR N N 15 117.732 . . 1 . 396 . . 80 THR N . 26580 1 827 . 1 1 81 81 GLY H H 1 8.997 . . 1 . 459 . . 81 GLY H . 26580 1 828 . 1 1 81 81 GLY HA2 H 1 3.394 . . 1 . 1806 . . 81 GLY HA2 . 26580 1 829 . 1 1 81 81 GLY HA3 H 1 3.394 . . 1 . 1897 . . 81 GLY HA3 . 26580 1 830 . 1 1 81 81 GLY C C 13 174.243 . . 1 . 723 . . 81 GLY C . 26580 1 831 . 1 1 81 81 GLY CA C 13 45.670 . . 1 . 461 . . 81 GLY CA . 26580 1 832 . 1 1 81 81 GLY N N 15 113.578 . . 1 . 460 . . 81 GLY N . 26580 1 833 . 1 1 82 82 CYS H H 1 8.205 . . 1 . 426 . . 82 CYS H . 26580 1 834 . 1 1 82 82 CYS HA H 1 4.558 . . 1 . 1014 . . 82 CYS HA . 26580 1 835 . 1 1 82 82 CYS HB2 H 1 2.870 . . 1 . 1476 . . 82 CYS HB2 . 26580 1 836 . 1 1 82 82 CYS HB3 H 1 2.870 . . 1 . 1682 . . 82 CYS HB3 . 26580 1 837 . 1 1 82 82 CYS C C 13 173.263 . . 1 . 714 . . 82 CYS C . 26580 1 838 . 1 1 82 82 CYS CA C 13 58.004 . . 1 . 428 . . 82 CYS CA . 26580 1 839 . 1 1 82 82 CYS CB C 13 28.593 . . 1 . 429 . . 82 CYS CB . 26580 1 840 . 1 1 82 82 CYS N N 15 116.968 . . 1 . 427 . . 82 CYS N . 26580 1 841 . 1 1 83 83 ARG H H 1 7.390 . . 1 . 407 . . 83 ARG H . 26580 1 842 . 1 1 83 83 ARG HD2 H 1 3.071 . . 1 . 1149 . . 83 ARG HD2 . 26580 1 843 . 1 1 83 83 ARG HD3 H 1 3.071 . . 1 . 1438 . . 83 ARG HD3 . 26580 1 844 . 1 1 83 83 ARG C C 13 173.852 . . 1 . 709 . . 83 ARG C . 26580 1 845 . 1 1 83 83 ARG CA C 13 54.184 . . 1 . 409 . . 83 ARG CA . 26580 1 846 . 1 1 83 83 ARG CB C 13 32.700 . . 1 . 410 . . 83 ARG CB . 26580 1 847 . 1 1 83 83 ARG CG C 13 25.791 . . 1 . 808 . . 83 ARG CG . 26580 1 848 . 1 1 83 83 ARG CD C 13 43.343 . . 1 . 860 . . 83 ARG CD . 26580 1 849 . 1 1 83 83 ARG N N 15 117.962 . . 1 . 408 . . 83 ARG N . 26580 1 850 . 1 1 84 84 VAL H H 1 8.547 . . 1 . 134 . . 84 VAL H . 26580 1 851 . 1 1 84 84 VAL HA H 1 4.732 . . 1 . 1016 . . 84 VAL HA . 26580 1 852 . 1 1 84 84 VAL HB H 1 1.397 . . 1 . 1064 . . 84 VAL HB . 26580 1 853 . 1 1 84 84 VAL HG11 H 1 0.673 . . 2 . 917 . . 84 VAL HG11 . 26580 1 854 . 1 1 84 84 VAL HG12 H 1 0.673 . . 2 . 917 . . 84 VAL HG12 . 26580 1 855 . 1 1 84 84 VAL HG13 H 1 0.673 . . 2 . 917 . . 84 VAL HG13 . 26580 1 856 . 1 1 84 84 VAL HG21 H 1 -0.126 . . 2 . 930 . . 84 VAL HG21 . 26580 1 857 . 1 1 84 84 VAL HG22 H 1 -0.126 . . 2 . 930 . . 84 VAL HG22 . 26580 1 858 . 1 1 84 84 VAL HG23 H 1 -0.126 . . 2 . 930 . . 84 VAL HG23 . 26580 1 859 . 1 1 84 84 VAL C C 13 173.900 . . 1 . 635 . . 84 VAL C . 26580 1 860 . 1 1 84 84 VAL CA C 13 60.494 . . 1 . 136 . . 84 VAL CA . 26580 1 861 . 1 1 84 84 VAL CB C 13 31.687 . . 1 . 137 . . 84 VAL CB . 26580 1 862 . 1 1 84 84 VAL CG1 C 13 21.843 . . 2 . 828 . . 84 VAL CG1 . 26580 1 863 . 1 1 84 84 VAL CG2 C 13 22.275 . . 2 . 847 . . 84 VAL CG2 . 26580 1 864 . 1 1 84 84 VAL N N 15 123.231 . . 1 . 135 . . 84 VAL N . 26580 1 865 . 1 1 85 85 SER H H 1 8.957 . . 1 . 187 . . 85 SER H . 26580 1 866 . 1 1 85 85 SER HA H 1 5.112 . . 1 . 1387 . . 85 SER HA . 26580 1 867 . 1 1 85 85 SER HB2 H 1 3.449 . . 1 . 1388 . . 85 SER HB2 . 26580 1 868 . 1 1 85 85 SER HB3 H 1 3.449 . . 1 . 1439 . . 85 SER HB3 . 26580 1 869 . 1 1 85 85 SER C C 13 172.611 . . 1 . 650 . . 85 SER C . 26580 1 870 . 1 1 85 85 SER CA C 13 55.021 . . 1 . 189 . . 85 SER CA . 26580 1 871 . 1 1 85 85 SER CB C 13 66.540 . . 1 . 190 . . 85 SER CB . 26580 1 872 . 1 1 85 85 SER N N 15 120.779 . . 1 . 188 . . 85 SER N . 26580 1 873 . 1 1 86 86 LEU H H 1 9.108 . . 1 . 585 . . 86 LEU H . 26580 1 874 . 1 1 86 86 LEU HA H 1 4.790 . . 1 . 1389 . . 86 LEU HA . 26580 1 875 . 1 1 86 86 LEU HD11 H 1 -0.504 . . 2 . 949 . . 86 LEU HD11 . 26580 1 876 . 1 1 86 86 LEU HD12 H 1 -0.504 . . 2 . 949 . . 86 LEU HD12 . 26580 1 877 . 1 1 86 86 LEU HD13 H 1 -0.504 . . 2 . 949 . . 86 LEU HD13 . 26580 1 878 . 1 1 86 86 LEU HD21 H 1 -0.196 . . 2 . 969 . . 86 LEU HD21 . 26580 1 879 . 1 1 86 86 LEU HD22 H 1 -0.196 . . 2 . 969 . . 86 LEU HD22 . 26580 1 880 . 1 1 86 86 LEU HD23 H 1 -0.196 . . 2 . 969 . . 86 LEU HD23 . 26580 1 881 . 1 1 86 86 LEU C C 13 175.252 . . 1 . 589 . . 86 LEU C . 26580 1 882 . 1 1 86 86 LEU CA C 13 52.112 . . 1 . 767 . . 86 LEU CA . 26580 1 883 . 1 1 86 86 LEU CB C 13 45.104 . . 1 . 762 . . 86 LEU CB . 26580 1 884 . 1 1 86 86 LEU CD1 C 13 21.961 . . 2 . 893 . . 86 LEU CD1 . 26580 1 885 . 1 1 86 86 LEU CD2 C 13 25.131 . . 2 . 902 . . 86 LEU CD2 . 26580 1 886 . 1 1 86 86 LEU N N 15 125.394 . . 1 . 586 . . 86 LEU N . 26580 1 887 . 1 1 87 87 SER H H 1 9.160 . . 1 . 96 . . 87 SER H . 26580 1 888 . 1 1 87 87 SER HA H 1 4.980 . . 1 . 1248 . . 87 SER HA . 26580 1 889 . 1 1 87 87 SER HB2 H 1 3.502 . . 1 . 1247 . . 87 SER HB2 . 26580 1 890 . 1 1 87 87 SER HB3 H 1 3.502 . . 1 . 1455 . . 87 SER HB3 . 26580 1 891 . 1 1 87 87 SER C C 13 173.578 . . 1 . 624 . . 87 SER C . 26580 1 892 . 1 1 87 87 SER CA C 13 57.576 . . 1 . 98 . . 87 SER CA . 26580 1 893 . 1 1 87 87 SER CB C 13 65.337 . . 1 . 99 . . 87 SER CB . 26580 1 894 . 1 1 87 87 SER N N 15 124.332 . . 1 . 97 . . 87 SER N . 26580 1 895 . 1 1 88 88 CYS H H 1 8.017 . . 1 . 24 . . 88 CYS H . 26580 1 896 . 1 1 88 88 CYS HA H 1 4.166 . . 1 . 1390 . . 88 CYS HA . 26580 1 897 . 1 1 88 88 CYS C C 13 172.191 . . 1 . 606 . . 88 CYS C . 26580 1 898 . 1 1 88 88 CYS CA C 13 58.181 . . 1 . 26 . . 88 CYS CA . 26580 1 899 . 1 1 88 88 CYS N N 15 123.723 . . 1 . 25 . . 88 CYS N . 26580 1 900 . 1 1 89 89 TYR H H 1 8.678 . . 1 . 119 . . 89 TYR H . 26580 1 901 . 1 1 89 89 TYR HA H 1 4.706 . . 1 . 1425 . . 89 TYR HA . 26580 1 902 . 1 1 89 89 TYR HB2 H 1 3.169 . . 1 . 1623 . . 89 TYR HB2 . 26580 1 903 . 1 1 89 89 TYR HB3 H 1 3.169 . . 1 . 1683 . . 89 TYR HB3 . 26580 1 904 . 1 1 89 89 TYR C C 13 175.307 . . 1 . 630 . . 89 TYR C . 26580 1 905 . 1 1 89 89 TYR CA C 13 57.277 . . 1 . 121 . . 89 TYR CA . 26580 1 906 . 1 1 89 89 TYR CB C 13 39.542 . . 1 . 122 . . 89 TYR CB . 26580 1 907 . 1 1 89 89 TYR N N 15 123.655 . . 1 . 120 . . 89 TYR N . 26580 1 908 . 1 1 90 90 ILE H H 1 8.396 . . 1 . 319 . . 90 ILE H . 26580 1 909 . 1 1 90 90 ILE HA H 1 4.521 . . 1 . 1391 . . 90 ILE HA . 26580 1 910 . 1 1 90 90 ILE HB H 1 1.704 . . 1 . 1246 . . 90 ILE HB . 26580 1 911 . 1 1 90 90 ILE HG12 H 1 1.139 . . 1 . 1095 . . 90 ILE HG12 . 26580 1 912 . 1 1 90 90 ILE HD11 H 1 0.721 . . 1 . 950 . . 90 ILE HD11 . 26580 1 913 . 1 1 90 90 ILE HD12 H 1 0.721 . . 1 . 950 . . 90 ILE HD12 . 26580 1 914 . 1 1 90 90 ILE HD13 H 1 0.721 . . 1 . 950 . . 90 ILE HD13 . 26580 1 915 . 1 1 90 90 ILE C C 13 176.921 . . 1 . 677 . . 90 ILE C . 26580 1 916 . 1 1 90 90 ILE CA C 13 60.325 . . 1 . 321 . . 90 ILE CA . 26580 1 917 . 1 1 90 90 ILE CB C 13 37.879 . . 1 . 322 . . 90 ILE CB . 26580 1 918 . 1 1 90 90 ILE CG1 C 13 27.075 . . 1 . 1177 . . 90 ILE CG1 . 26580 1 919 . 1 1 90 90 ILE CG2 C 13 17.426 . . 1 . 1169 . . 90 ILE CG2 . 26580 1 920 . 1 1 90 90 ILE CD1 C 13 12.912 . . 1 . 871 . . 90 ILE CD1 . 26580 1 921 . 1 1 90 90 ILE N N 15 120.055 . . 1 . 320 . . 90 ILE N . 26580 1 922 . 1 1 91 91 GLY H H 1 8.370 . . 1 . 423 . . 91 GLY H . 26580 1 923 . 1 1 91 91 GLY HA2 H 1 3.981 . . 1 . 1804 . . 91 GLY HA2 . 26580 1 924 . 1 1 91 91 GLY HA3 H 1 3.981 . . 1 . 1898 . . 91 GLY HA3 . 26580 1 925 . 1 1 91 91 GLY C C 13 170.022 . . 1 . 713 . . 91 GLY C . 26580 1 926 . 1 1 91 91 GLY CA C 13 43.707 . . 1 . 425 . . 91 GLY CA . 26580 1 927 . 1 1 91 91 GLY N N 15 116.789 . . 1 . 424 . . 91 GLY N . 26580 1 928 . 1 1 92 92 PHE H H 1 7.834 . . 1 . 457 . . 92 PHE H . 26580 1 929 . 1 1 92 92 PHE HA H 1 4.574 . . 1 . 1340 . . 92 PHE HA . 26580 1 930 . 1 1 92 92 PHE HB2 H 1 3.212 . . 1 . 1592 . . 92 PHE HB2 . 26580 1 931 . 1 1 92 92 PHE HB3 H 1 3.212 . . 1 . 1684 . . 92 PHE HB3 . 26580 1 932 . 1 1 92 92 PHE C C 13 173.071 . . 1 . 769 . . 92 PHE C . 26580 1 933 . 1 1 92 92 PHE CA C 13 52.602 . . 1 . 782 . . 92 PHE CA . 26580 1 934 . 1 1 92 92 PHE CB C 13 38.816 . . 1 . 783 . . 92 PHE CB . 26580 1 935 . 1 1 92 92 PHE N N 15 117.052 . . 1 . 458 . . 92 PHE N . 26580 1 936 . 1 1 94 94 GLU H H 1 8.489 . . 1 . 53 . . 94 GLU H . 26580 1 937 . 1 1 94 94 GLU HA H 1 4.152 . . 1 . 1382 . . 94 GLU HA . 26580 1 938 . 1 1 94 94 GLU HB2 H 1 1.871 . . 1 . 1478 . . 94 GLU HB2 . 26580 1 939 . 1 1 94 94 GLU HB3 H 1 1.871 . . 1 . 1685 . . 94 GLU HB3 . 26580 1 940 . 1 1 94 94 GLU HG2 H 1 2.170 . . 1 . 1501 . . 94 GLU HG2 . 26580 1 941 . 1 1 94 94 GLU HG3 H 1 2.170 . . 1 . 1686 . . 94 GLU HG3 . 26580 1 942 . 1 1 94 94 GLU C C 13 179.302 . . 1 . 613 . . 94 GLU C . 26580 1 943 . 1 1 94 94 GLU CA C 13 58.966 . . 1 . 55 . . 94 GLU CA . 26580 1 944 . 1 1 94 94 GLU CB C 13 29.052 . . 1 . 56 . . 94 GLU CB . 26580 1 945 . 1 1 94 94 GLU CG C 13 35.361 . . 1 . 798 . . 94 GLU CG . 26580 1 946 . 1 1 94 94 GLU N N 15 124.965 . . 1 . 54 . . 94 GLU N . 26580 1 947 . 1 1 95 95 ARG H H 1 8.402 . . 1 . 438 . . 95 ARG H . 26580 1 948 . 1 1 95 95 ARG HA H 1 4.061 . . 1 . 1244 . . 95 ARG HA . 26580 1 949 . 1 1 95 95 ARG HB2 H 1 1.579 . . 1 . 1559 . . 95 ARG HB2 . 26580 1 950 . 1 1 95 95 ARG HB3 H 1 1.579 . . 1 . 1687 . . 95 ARG HB3 . 26580 1 951 . 1 1 95 95 ARG HG2 H 1 1.235 . . 1 . 1558 . . 95 ARG HG2 . 26580 1 952 . 1 1 95 95 ARG HG3 H 1 1.235 . . 1 . 1689 . . 95 ARG HG3 . 26580 1 953 . 1 1 95 95 ARG HD2 H 1 3.007 . . 1 . 1519 . . 95 ARG HD2 . 26580 1 954 . 1 1 95 95 ARG HD3 H 1 3.007 . . 1 . 1688 . . 95 ARG HD3 . 26580 1 955 . 1 1 95 95 ARG C C 13 177.184 . . 1 . 717 . . 95 ARG C . 26580 1 956 . 1 1 95 95 ARG CA C 13 56.812 . . 1 . 440 . . 95 ARG CA . 26580 1 957 . 1 1 95 95 ARG CB C 13 28.643 . . 1 . 441 . . 95 ARG CB . 26580 1 958 . 1 1 95 95 ARG CG C 13 26.343 . . 1 . 809 . . 95 ARG CG . 26580 1 959 . 1 1 95 95 ARG CD C 13 42.846 . . 1 . 861 . . 95 ARG CD . 26580 1 960 . 1 1 95 95 ARG N N 15 115.957 . . 1 . 439 . . 95 ARG N . 26580 1 961 . 1 1 96 96 LEU H H 1 7.584 . . 1 . 567 . . 96 LEU H . 26580 1 962 . 1 1 96 96 LEU HA H 1 4.233 . . 1 . 1017 . . 96 LEU HA . 26580 1 963 . 1 1 96 96 LEU HB2 H 1 1.741 . . 1 . 1557 . . 96 LEU HB2 . 26580 1 964 . 1 1 96 96 LEU HB3 H 1 1.741 . . 1 . 1690 . . 96 LEU HB3 . 26580 1 965 . 1 1 96 96 LEU HG H 1 0.981 . . 1 . 1240 . . 96 LEU HG . 26580 1 966 . 1 1 96 96 LEU HD11 H 1 0.388 . . 2 . 942 . . 96 LEU HD11 . 26580 1 967 . 1 1 96 96 LEU HD12 H 1 0.388 . . 2 . 942 . . 96 LEU HD12 . 26580 1 968 . 1 1 96 96 LEU HD13 H 1 0.388 . . 2 . 942 . . 96 LEU HD13 . 26580 1 969 . 1 1 96 96 LEU HD21 H 1 -0.087 . . 2 . 962 . . 96 LEU HD21 . 26580 1 970 . 1 1 96 96 LEU HD22 H 1 -0.087 . . 2 . 962 . . 96 LEU HD22 . 26580 1 971 . 1 1 96 96 LEU HD23 H 1 -0.087 . . 2 . 962 . . 96 LEU HD23 . 26580 1 972 . 1 1 96 96 LEU C C 13 178.151 . . 1 . 758 . . 96 LEU C . 26580 1 973 . 1 1 96 96 LEU CA C 13 54.182 . . 1 . 569 . . 96 LEU CA . 26580 1 974 . 1 1 96 96 LEU CB C 13 40.221 . . 1 . 570 . . 96 LEU CB . 26580 1 975 . 1 1 96 96 LEU CG C 13 28.220 . . 1 . 810 . . 96 LEU CG . 26580 1 976 . 1 1 96 96 LEU CD1 C 13 21.405 . . 2 . 886 . . 96 LEU CD1 . 26580 1 977 . 1 1 96 96 LEU CD2 C 13 25.327 . . 2 . 903 . . 96 LEU CD2 . 26580 1 978 . 1 1 96 96 LEU N N 15 118.563 . . 1 . 568 . . 96 LEU N . 26580 1 979 . 1 1 97 97 LYS H H 1 7.384 . . 1 . 372 . . 97 LYS H . 26580 1 980 . 1 1 97 97 LYS HA H 1 3.824 . . 1 . 1292 . . 97 LYS HA . 26580 1 981 . 1 1 97 97 LYS HB2 H 1 1.616 . . 1 . 1555 . . 97 LYS HB2 . 26580 1 982 . 1 1 97 97 LYS HB3 H 1 1.616 . . 1 . 1691 . . 97 LYS HB3 . 26580 1 983 . 1 1 97 97 LYS HG2 H 1 0.988 . . 1 . 1239 . . 97 LYS HG2 . 26580 1 984 . 1 1 97 97 LYS HG3 H 1 0.988 . . 1 . 1441 . . 97 LYS HG3 . 26580 1 985 . 1 1 97 97 LYS HD2 H 1 1.316 . . 1 . 1237 . . 97 LYS HD2 . 26580 1 986 . 1 1 97 97 LYS HD3 H 1 1.316 . . 1 . 1440 . . 97 LYS HD3 . 26580 1 987 . 1 1 97 97 LYS HE2 H 1 2.609 . . 1 . 1526 . . 97 LYS HE2 . 26580 1 988 . 1 1 97 97 LYS HE3 H 1 2.609 . . 1 . 1692 . . 97 LYS HE3 . 26580 1 989 . 1 1 97 97 LYS C C 13 176.689 . . 1 . 774 . . 97 LYS C . 26580 1 990 . 1 1 97 97 LYS CA C 13 58.877 . . 1 . 374 . . 97 LYS CA . 26580 1 991 . 1 1 97 97 LYS CB C 13 31.786 . . 1 . 776 . . 97 LYS CB . 26580 1 992 . 1 1 97 97 LYS CG C 13 24.964 . . 1 . 811 . . 97 LYS CG . 26580 1 993 . 1 1 97 97 LYS CD C 13 28.936 . . 1 . 862 . . 97 LYS CD . 26580 1 994 . 1 1 97 97 LYS CE C 13 41.522 . . 1 . 1188 . . 97 LYS CE . 26580 1 995 . 1 1 97 97 LYS N N 15 118.626 . . 1 . 373 . . 97 LYS N . 26580 1 996 . 1 1 98 98 ASP H H 1 7.875 . . 1 . 453 . . 98 ASP H . 26580 1 997 . 1 1 98 98 ASP HA H 1 4.602 . . 1 . 1018 . . 98 ASP HA . 26580 1 998 . 1 1 98 98 ASP HB2 H 1 2.534 . . 1 . 1234 . . 98 ASP HB2 . 26580 1 999 . 1 1 98 98 ASP HB3 H 1 2.534 . . 1 . 1442 . . 98 ASP HB3 . 26580 1 1000 . 1 1 98 98 ASP C C 13 176.381 . . 1 . 722 . . 98 ASP C . 26580 1 1001 . 1 1 98 98 ASP CA C 13 53.623 . . 1 . 455 . . 98 ASP CA . 26580 1 1002 . 1 1 98 98 ASP CB C 13 40.738 . . 1 . 456 . . 98 ASP CB . 26580 1 1003 . 1 1 98 98 ASP N N 15 116.606 . . 1 . 454 . . 98 ASP N . 26580 1 1004 . 1 1 99 99 LEU H H 1 7.059 . . 1 . 127 . . 99 LEU H . 26580 1 1005 . 1 1 99 99 LEU HA H 1 4.251 . . 1 . 1295 . . 99 LEU HA . 26580 1 1006 . 1 1 99 99 LEU HB2 H 1 1.806 . . 1 . 1479 . . 99 LEU HB2 . 26580 1 1007 . 1 1 99 99 LEU HB3 H 1 1.806 . . 1 . 1693 . . 99 LEU HB3 . 26580 1 1008 . 1 1 99 99 LEU HG H 1 1.623 . . 1 . 1122 . . 99 LEU HG . 26580 1 1009 . 1 1 99 99 LEU HD11 H 1 0.757 . . 2 . 951 . . 99 LEU HD11 . 26580 1 1010 . 1 1 99 99 LEU HD12 H 1 0.757 . . 2 . 951 . . 99 LEU HD12 . 26580 1 1011 . 1 1 99 99 LEU HD13 H 1 0.757 . . 2 . 951 . . 99 LEU HD13 . 26580 1 1012 . 1 1 99 99 LEU HD21 H 1 0.711 . . 2 . 970 . . 99 LEU HD21 . 26580 1 1013 . 1 1 99 99 LEU HD22 H 1 0.711 . . 2 . 970 . . 99 LEU HD22 . 26580 1 1014 . 1 1 99 99 LEU HD23 H 1 0.711 . . 2 . 970 . . 99 LEU HD23 . 26580 1 1015 . 1 1 99 99 LEU C C 13 177.582 . . 1 . 632 . . 99 LEU C . 26580 1 1016 . 1 1 99 99 LEU CA C 13 54.575 . . 1 . 129 . . 99 LEU CA . 26580 1 1017 . 1 1 99 99 LEU CB C 13 41.975 . . 1 . 130 . . 99 LEU CB . 26580 1 1018 . 1 1 99 99 LEU CD1 C 13 23.051 . . 2 . 872 . . 99 LEU CD1 . 26580 1 1019 . 1 1 99 99 LEU CD2 C 13 26.233 . . 2 . 904 . . 99 LEU CD2 . 26580 1 1020 . 1 1 99 99 LEU N N 15 120.939 . . 1 . 128 . . 99 LEU N . 26580 1 1021 . 1 1 100 100 LYS H H 1 8.695 . . 1 . 123 . . 100 LYS H . 26580 1 1022 . 1 1 100 100 LYS HA H 1 4.111 . . 1 . 1392 . . 100 LYS HA . 26580 1 1023 . 1 1 100 100 LYS HB2 H 1 1.900 . . 1 . 1609 . . 100 LYS HB2 . 26580 1 1024 . 1 1 100 100 LYS HB3 H 1 1.900 . . 1 . 1694 . . 100 LYS HB3 . 26580 1 1025 . 1 1 100 100 LYS HG2 H 1 1.371 . . 1 . 1607 . . 100 LYS HG2 . 26580 1 1026 . 1 1 100 100 LYS HG3 H 1 1.371 . . 1 . 1697 . . 100 LYS HG3 . 26580 1 1027 . 1 1 100 100 LYS HD2 H 1 1.540 . . 1 . 1608 . . 100 LYS HD2 . 26580 1 1028 . 1 1 100 100 LYS HD3 H 1 1.540 . . 1 . 1695 . . 100 LYS HD3 . 26580 1 1029 . 1 1 100 100 LYS HE2 H 1 2.843 . . 1 . 1527 . . 100 LYS HE2 . 26580 1 1030 . 1 1 100 100 LYS HE3 H 1 2.843 . . 1 . 1696 . . 100 LYS HE3 . 26580 1 1031 . 1 1 100 100 LYS C C 13 174.793 . . 1 . 631 . . 100 LYS C . 26580 1 1032 . 1 1 100 100 LYS CA C 13 56.397 . . 1 . 125 . . 100 LYS CA . 26580 1 1033 . 1 1 100 100 LYS CB C 13 32.598 . . 1 . 126 . . 100 LYS CB . 26580 1 1034 . 1 1 100 100 LYS CG C 13 24.379 . . 1 . 812 . . 100 LYS CG . 26580 1 1035 . 1 1 100 100 LYS CD C 13 29.931 . . 1 . 863 . . 100 LYS CD . 26580 1 1036 . 1 1 100 100 LYS CE C 13 42.129 . . 1 . 1189 . . 100 LYS CE . 26580 1 1037 . 1 1 100 100 LYS N N 15 122.945 . . 1 . 124 . . 100 LYS N . 26580 1 1038 . 1 1 101 101 ARG H H 1 8.103 . . 1 . 334 . . 101 ARG H . 26580 1 1039 . 1 1 101 101 ARG HA H 1 4.951 . . 1 . 1396 . . 101 ARG HA . 26580 1 1040 . 1 1 101 101 ARG HB2 H 1 1.661 . . 1 . 1611 . . 101 ARG HB2 . 26580 1 1041 . 1 1 101 101 ARG HB3 H 1 1.661 . . 1 . 1698 . . 101 ARG HB3 . 26580 1 1042 . 1 1 101 101 ARG HG2 H 1 1.544 . . 1 . 1610 . . 101 ARG HG2 . 26580 1 1043 . 1 1 101 101 ARG HG3 H 1 1.544 . . 1 . 1699 . . 101 ARG HG3 . 26580 1 1044 . 1 1 101 101 ARG HD2 H 1 3.088 . . 1 . 1400 . . 101 ARG HD2 . 26580 1 1045 . 1 1 101 101 ARG HD3 H 1 3.088 . . 1 . 1443 . . 101 ARG HD3 . 26580 1 1046 . 1 1 101 101 ARG C C 13 178.078 . . 1 . 684 . . 101 ARG C . 26580 1 1047 . 1 1 101 101 ARG CA C 13 52.148 . . 1 . 336 . . 101 ARG CA . 26580 1 1048 . 1 1 101 101 ARG CB C 13 31.342 . . 1 . 337 . . 101 ARG CB . 26580 1 1049 . 1 1 101 101 ARG CD C 13 41.810 . . 1 . 1183 . . 101 ARG CD . 26580 1 1050 . 1 1 101 101 ARG N N 15 118.732 . . 1 . 335 . . 101 ARG N . 26580 1 1051 . 1 1 102 102 VAL H H 1 8.089 . . 1 . 553 . . 102 VAL H . 26580 1 1052 . 1 1 102 102 VAL HA H 1 4.568 . . 1 . 1401 . . 102 VAL HA . 26580 1 1053 . 1 1 102 102 VAL HB H 1 1.918 . . 1 . 1403 . . 102 VAL HB . 26580 1 1054 . 1 1 102 102 VAL HG11 H 1 0.796 . . 1 . 996 . . 102 VAL HG11 . 26580 1 1055 . 1 1 102 102 VAL HG12 H 1 0.796 . . 1 . 996 . . 102 VAL HG12 . 26580 1 1056 . 1 1 102 102 VAL HG13 H 1 0.796 . . 1 . 996 . . 102 VAL HG13 . 26580 1 1057 . 1 1 102 102 VAL HG21 H 1 0.796 . . 1 . 1444 . . 102 VAL HG21 . 26580 1 1058 . 1 1 102 102 VAL HG22 H 1 0.796 . . 1 . 1444 . . 102 VAL HG22 . 26580 1 1059 . 1 1 102 102 VAL HG23 H 1 0.796 . . 1 . 1444 . . 102 VAL HG23 . 26580 1 1060 . 1 1 102 102 VAL C C 13 173.093 . . 1 . 752 . . 102 VAL C . 26580 1 1061 . 1 1 102 102 VAL CA C 13 62.433 . . 1 . 555 . . 102 VAL CA . 26580 1 1062 . 1 1 102 102 VAL CB C 13 31.803 . . 1 . 556 . . 102 VAL CB . 26580 1 1063 . 1 1 102 102 VAL CG1 C 13 21.207 . . 2 . 1458 . . 102 VAL CG1 . 26580 1 1064 . 1 1 102 102 VAL CG2 C 13 20.488 . . 2 . 1459 . . 102 VAL CG2 . 26580 1 1065 . 1 1 102 102 VAL N N 15 119.883 . . 1 . 554 . . 102 VAL N . 26580 1 1066 . 1 1 104 104 ASP H H 1 8.651 . . 1 . 240 . . 104 ASP H . 26580 1 1067 . 1 1 104 104 ASP HA H 1 4.228 . . 1 . 1019 . . 104 ASP HA . 26580 1 1068 . 1 1 104 104 ASP HB2 H 1 2.576 . . 1 . 1593 . . 104 ASP HB2 . 26580 1 1069 . 1 1 104 104 ASP HB3 H 1 2.576 . . 1 . 1700 . . 104 ASP HB3 . 26580 1 1070 . 1 1 104 104 ASP C C 13 175.364 . . 1 . 660 . . 104 ASP C . 26580 1 1071 . 1 1 104 104 ASP CA C 13 56.433 . . 1 . 242 . . 104 ASP CA . 26580 1 1072 . 1 1 104 104 ASP CB C 13 39.847 . . 1 . 243 . . 104 ASP CB . 26580 1 1073 . 1 1 104 104 ASP N N 15 120.154 . . 1 . 241 . . 104 ASP N . 26580 1 1074 . 1 1 105 105 PHE H H 1 7.646 . . 1 . 360 . . 105 PHE H . 26580 1 1075 . 1 1 105 105 PHE HA H 1 4.612 . . 1 . 1404 . . 105 PHE HA . 26580 1 1076 . 1 1 105 105 PHE HB2 H 1 2.831 . . 1 . 1613 . . 105 PHE HB2 . 26580 1 1077 . 1 1 105 105 PHE HB3 H 1 2.831 . . 1 . 1701 . . 105 PHE HB3 . 26580 1 1078 . 1 1 105 105 PHE C C 13 173.740 . . 1 . 696 . . 105 PHE C . 26580 1 1079 . 1 1 105 105 PHE CA C 13 57.275 . . 1 . 362 . . 105 PHE CA . 26580 1 1080 . 1 1 105 105 PHE CB C 13 40.657 . . 1 . 363 . . 105 PHE CB . 26580 1 1081 . 1 1 105 105 PHE N N 15 120.259 . . 1 . 361 . . 105 PHE N . 26580 1 1082 . 1 1 106 106 ASN H H 1 7.956 . . 1 . 7 . . 106 ASN H . 26580 1 1083 . 1 1 106 106 ASN HA H 1 4.818 . . 1 . 1406 . . 106 ASN HA . 26580 1 1084 . 1 1 106 106 ASN HB2 H 1 2.712 . . 1 . 1614 . . 106 ASN HB2 . 26580 1 1085 . 1 1 106 106 ASN HB3 H 1 2.712 . . 1 . 1702 . . 106 ASN HB3 . 26580 1 1086 . 1 1 106 106 ASN C C 13 172.426 . . 1 . 602 . . 106 ASN C . 26580 1 1087 . 1 1 106 106 ASN CA C 13 51.349 . . 1 . 600 . . 106 ASN CA . 26580 1 1088 . 1 1 106 106 ASN CB C 13 40.956 . . 1 . 601 . . 106 ASN CB . 26580 1 1089 . 1 1 106 106 ASN N N 15 122.869 . . 1 . 8 . . 106 ASN N . 26580 1 1090 . 1 1 108 108 LEU H H 1 8.864 . . 1 . 107 . . 108 LEU H . 26580 1 1091 . 1 1 108 108 LEU HA H 1 4.742 . . 1 . 1346 . . 108 LEU HA . 26580 1 1092 . 1 1 108 108 LEU HB2 H 1 1.520 . . 1 . 1569 . . 108 LEU HB2 . 26580 1 1093 . 1 1 108 108 LEU HB3 H 1 1.520 . . 1 . 1703 . . 108 LEU HB3 . 26580 1 1094 . 1 1 108 108 LEU HG H 1 1.271 . . 1 . 1261 . . 108 LEU HG . 26580 1 1095 . 1 1 108 108 LEU HD11 H 1 0.561 . . 2 . 952 . . 108 LEU HD11 . 26580 1 1096 . 1 1 108 108 LEU HD12 H 1 0.561 . . 2 . 952 . . 108 LEU HD12 . 26580 1 1097 . 1 1 108 108 LEU HD13 H 1 0.561 . . 2 . 952 . . 108 LEU HD13 . 26580 1 1098 . 1 1 108 108 LEU HD21 H 1 0.569 . . 2 . 971 . . 108 LEU HD21 . 26580 1 1099 . 1 1 108 108 LEU HD22 H 1 0.569 . . 2 . 971 . . 108 LEU HD22 . 26580 1 1100 . 1 1 108 108 LEU HD23 H 1 0.569 . . 2 . 971 . . 108 LEU HD23 . 26580 1 1101 . 1 1 108 108 LEU C C 13 176.876 . . 1 . 627 . . 108 LEU C . 26580 1 1102 . 1 1 108 108 LEU CA C 13 53.004 . . 1 . 109 . . 108 LEU CA . 26580 1 1103 . 1 1 108 108 LEU CB C 13 45.017 . . 1 . 110 . . 108 LEU CB . 26580 1 1104 . 1 1 108 108 LEU CD1 C 13 24.660 . . 2 . 894 . . 108 LEU CD1 . 26580 1 1105 . 1 1 108 108 LEU CD2 C 13 25.287 . . 2 . 908 . . 108 LEU CD2 . 26580 1 1106 . 1 1 108 108 LEU N N 15 125.731 . . 1 . 108 . . 108 LEU N . 26580 1 1107 . 1 1 109 109 SER H H 1 9.126 . . 1 . 581 . . 109 SER H . 26580 1 1108 . 1 1 109 109 SER HA H 1 4.451 . . 1 . 1020 . . 109 SER HA . 26580 1 1109 . 1 1 109 109 SER HB2 H 1 3.811 . . 1 . 1408 . . 109 SER HB2 . 26580 1 1110 . 1 1 109 109 SER HB3 H 1 3.811 . . 1 . 1456 . . 109 SER HB3 . 26580 1 1111 . 1 1 109 109 SER C C 13 173.832 . . 1 . 587 . . 109 SER C . 26580 1 1112 . 1 1 109 109 SER CA C 13 57.709 . . 1 . 591 . . 109 SER CA . 26580 1 1113 . 1 1 109 109 SER CB C 13 63.704 . . 1 . 792 . . 109 SER CB . 26580 1 1114 . 1 1 109 109 SER N N 15 125.145 . . 1 . 582 . . 109 SER N . 26580 1 1115 . 1 1 110 110 VAL H H 1 8.242 . . 1 . 163 . . 110 VAL H . 26580 1 1116 . 1 1 110 110 VAL HA H 1 3.202 . . 1 . 1383 . . 110 VAL HA . 26580 1 1117 . 1 1 110 110 VAL HB H 1 1.854 . . 1 . 1067 . . 110 VAL HB . 26580 1 1118 . 1 1 110 110 VAL HG11 H 1 0.765 . . 2 . 911 . . 110 VAL HG11 . 26580 1 1119 . 1 1 110 110 VAL HG12 H 1 0.765 . . 2 . 911 . . 110 VAL HG12 . 26580 1 1120 . 1 1 110 110 VAL HG13 H 1 0.765 . . 2 . 911 . . 110 VAL HG13 . 26580 1 1121 . 1 1 110 110 VAL HG21 H 1 0.915 . . 2 . 924 . . 110 VAL HG21 . 26580 1 1122 . 1 1 110 110 VAL HG22 H 1 0.915 . . 2 . 924 . . 110 VAL HG22 . 26580 1 1123 . 1 1 110 110 VAL HG23 H 1 0.915 . . 2 . 924 . . 110 VAL HG23 . 26580 1 1124 . 1 1 110 110 VAL C C 13 176.674 . . 1 . 644 . . 110 VAL C . 26580 1 1125 . 1 1 110 110 VAL CA C 13 65.653 . . 1 . 165 . . 110 VAL CA . 26580 1 1126 . 1 1 110 110 VAL CB C 13 30.644 . . 1 . 166 . . 110 VAL CB . 26580 1 1127 . 1 1 110 110 VAL CG1 C 13 20.116 . . 2 . 838 . . 110 VAL CG1 . 26580 1 1128 . 1 1 110 110 VAL CG2 C 13 22.108 . . 2 . 848 . . 110 VAL CG2 . 26580 1 1129 . 1 1 110 110 VAL N N 15 122.050 . . 1 . 164 . . 110 VAL N . 26580 1 1130 . 1 1 111 111 ASN H H 1 8.524 . . 1 . 251 . . 111 ASN H . 26580 1 1131 . 1 1 111 111 ASN HA H 1 4.222 . . 1 . 1021 . . 111 ASN HA . 26580 1 1132 . 1 1 111 111 ASN HB2 H 1 2.973 . . 1 . 1377 . . 111 ASN HB2 . 26580 1 1133 . 1 1 111 111 ASN HB3 H 1 2.973 . . 1 . 1445 . . 111 ASN HB3 . 26580 1 1134 . 1 1 111 111 ASN C C 13 173.894 . . 1 . 664 . . 111 ASN C . 26580 1 1135 . 1 1 111 111 ASN CA C 13 55.172 . . 1 . 253 . . 111 ASN CA . 26580 1 1136 . 1 1 111 111 ASN CB C 13 36.913 . . 1 . 254 . . 111 ASN CB . 26580 1 1137 . 1 1 111 111 ASN N N 15 119.543 . . 1 . 252 . . 111 ASN N . 26580 1 1138 . 1 1 112 112 GLU H H 1 8.131 . . 1 . 167 . . 112 GLU H . 26580 1 1139 . 1 1 112 112 GLU HA H 1 4.312 . . 1 . 1347 . . 112 GLU HA . 26580 1 1140 . 1 1 112 112 GLU HB2 H 1 1.974 . . 1 . 1370 . . 112 GLU HB2 . 26580 1 1141 . 1 1 112 112 GLU HB3 H 1 1.974 . . 1 . 1446 . . 112 GLU HB3 . 26580 1 1142 . 1 1 112 112 GLU HG2 H 1 2.222 . . 1 . 1503 . . 112 GLU HG2 . 26580 1 1143 . 1 1 112 112 GLU HG3 H 1 2.222 . . 1 . 1704 . . 112 GLU HG3 . 26580 1 1144 . 1 1 112 112 GLU C C 13 173.874 . . 1 . 645 . . 112 GLU C . 26580 1 1145 . 1 1 112 112 GLU CA C 13 56.024 . . 1 . 169 . . 112 GLU CA . 26580 1 1146 . 1 1 112 112 GLU CB C 13 31.109 . . 1 . 170 . . 112 GLU CB . 26580 1 1147 . 1 1 112 112 GLU CG C 13 36.830 . . 1 . 813 . . 112 GLU CG . 26580 1 1148 . 1 1 112 112 GLU N N 15 122.098 . . 1 . 168 . . 112 GLU N . 26580 1 1149 . 1 1 113 113 ALA H H 1 7.966 . . 1 . 21 . . 113 ALA H . 26580 1 1150 . 1 1 113 113 ALA HA H 1 5.580 . . 1 . 1022 . . 113 ALA HA . 26580 1 1151 . 1 1 113 113 ALA HB1 H 1 1.119 . . 1 . 1070 . . 113 ALA HB1 . 26580 1 1152 . 1 1 113 113 ALA HB2 H 1 1.119 . . 1 . 1070 . . 113 ALA HB2 . 26580 1 1153 . 1 1 113 113 ALA HB3 H 1 1.119 . . 1 . 1070 . . 113 ALA HB3 . 26580 1 1154 . 1 1 113 113 ALA C C 13 175.718 . . 1 . 605 . . 113 ALA C . 26580 1 1155 . 1 1 113 113 ALA CA C 13 49.626 . . 1 . 23 . . 113 ALA CA . 26580 1 1156 . 1 1 113 113 ALA CB C 13 23.471 . . 1 . 1160 . . 113 ALA CB . 26580 1 1157 . 1 1 113 113 ALA N N 15 124.867 . . 1 . 22 . . 113 ALA N . 26580 1 1158 . 1 1 114 114 LEU H H 1 8.784 . . 1 . 202 . . 114 LEU H . 26580 1 1159 . 1 1 114 114 LEU HA H 1 4.874 . . 1 . 1409 . . 114 LEU HA . 26580 1 1160 . 1 1 114 114 LEU HB2 H 1 1.437 . . 1 . 1571 . . 114 LEU HB2 . 26580 1 1161 . 1 1 114 114 LEU HB3 H 1 1.437 . . 1 . 1705 . . 114 LEU HB3 . 26580 1 1162 . 1 1 114 114 LEU HG H 1 1.269 . . 1 . 1263 . . 114 LEU HG . 26580 1 1163 . 1 1 114 114 LEU HD11 H 1 0.575 . . 2 . 953 . . 114 LEU HD11 . 26580 1 1164 . 1 1 114 114 LEU HD12 H 1 0.575 . . 2 . 953 . . 114 LEU HD12 . 26580 1 1165 . 1 1 114 114 LEU HD13 H 1 0.575 . . 2 . 953 . . 114 LEU HD13 . 26580 1 1166 . 1 1 114 114 LEU HD21 H 1 0.547 . . 2 . 972 . . 114 LEU HD21 . 26580 1 1167 . 1 1 114 114 LEU HD22 H 1 0.547 . . 2 . 972 . . 114 LEU HD22 . 26580 1 1168 . 1 1 114 114 LEU HD23 H 1 0.547 . . 2 . 972 . . 114 LEU HD23 . 26580 1 1169 . 1 1 114 114 LEU C C 13 175.130 . . 1 . 653 . . 114 LEU C . 26580 1 1170 . 1 1 114 114 LEU CA C 13 52.892 . . 1 . 204 . . 114 LEU CA . 26580 1 1171 . 1 1 114 114 LEU CB C 13 47.433 . . 1 . 205 . . 114 LEU CB . 26580 1 1172 . 1 1 114 114 LEU CD1 C 13 25.083 . . 2 . 873 . . 114 LEU CD1 . 26580 1 1173 . 1 1 114 114 LEU CD2 C 13 25.867 . . 2 . 905 . . 114 LEU CD2 . 26580 1 1174 . 1 1 114 114 LEU N N 15 119.262 . . 1 . 203 . . 114 LEU N . 26580 1 1175 . 1 1 115 115 VAL H H 1 8.881 . . 1 . 103 . . 115 VAL H . 26580 1 1176 . 1 1 115 115 VAL HA H 1 4.551 . . 1 . 1287 . . 115 VAL HA . 26580 1 1177 . 1 1 115 115 VAL HB H 1 1.734 . . 1 . 1071 . . 115 VAL HB . 26580 1 1178 . 1 1 115 115 VAL HG11 H 1 0.750 . . 2 . 912 . . 115 VAL HG11 . 26580 1 1179 . 1 1 115 115 VAL HG12 H 1 0.750 . . 2 . 912 . . 115 VAL HG12 . 26580 1 1180 . 1 1 115 115 VAL HG13 H 1 0.750 . . 2 . 912 . . 115 VAL HG13 . 26580 1 1181 . 1 1 115 115 VAL HG21 H 1 0.825 . . 2 . 925 . . 115 VAL HG21 . 26580 1 1182 . 1 1 115 115 VAL HG22 H 1 0.825 . . 2 . 925 . . 115 VAL HG22 . 26580 1 1183 . 1 1 115 115 VAL HG23 H 1 0.825 . . 2 . 925 . . 115 VAL HG23 . 26580 1 1184 . 1 1 115 115 VAL C C 13 174.218 . . 1 . 626 . . 115 VAL C . 26580 1 1185 . 1 1 115 115 VAL CA C 13 61.272 . . 1 . 105 . . 115 VAL CA . 26580 1 1186 . 1 1 115 115 VAL CB C 13 34.061 . . 1 . 106 . . 115 VAL CB . 26580 1 1187 . 1 1 115 115 VAL CG1 C 13 21.540 . . 2 . 829 . . 115 VAL CG1 . 26580 1 1188 . 1 1 115 115 VAL CG2 C 13 23.982 . . 2 . 849 . . 115 VAL CG2 . 26580 1 1189 . 1 1 115 115 VAL N N 15 124.985 . . 1 . 104 . . 115 VAL N . 26580 1 1190 . 1 1 116 116 VAL H H 1 9.318 . . 1 . 94 . . 116 VAL H . 26580 1 1191 . 1 1 116 116 VAL HA H 1 3.838 . . 1 . 1023 . . 116 VAL HA . 26580 1 1192 . 1 1 116 116 VAL HB H 1 1.866 . . 1 . 1265 . . 116 VAL HB . 26580 1 1193 . 1 1 116 116 VAL HG11 H 1 0.764 . . 2 . 918 . . 116 VAL HG11 . 26580 1 1194 . 1 1 116 116 VAL HG12 H 1 0.764 . . 2 . 918 . . 116 VAL HG12 . 26580 1 1195 . 1 1 116 116 VAL HG13 H 1 0.764 . . 2 . 918 . . 116 VAL HG13 . 26580 1 1196 . 1 1 116 116 VAL HG21 H 1 0.782 . . 2 . 931 . . 116 VAL HG21 . 26580 1 1197 . 1 1 116 116 VAL HG22 H 1 0.782 . . 2 . 931 . . 116 VAL HG22 . 26580 1 1198 . 1 1 116 116 VAL HG23 H 1 0.782 . . 2 . 931 . . 116 VAL HG23 . 26580 1 1199 . 1 1 116 116 VAL C C 13 172.485 . . 1 . 623 . . 116 VAL C . 26580 1 1200 . 1 1 116 116 VAL CA C 13 61.964 . . 1 . 216 . . 116 VAL CA . 26580 1 1201 . 1 1 116 116 VAL CB C 13 34.312 . . 1 . 217 . . 116 VAL CB . 26580 1 1202 . 1 1 116 116 VAL CG1 C 13 21.074 . . 2 . 830 . . 116 VAL CG1 . 26580 1 1203 . 1 1 116 116 VAL CG2 C 13 22.031 . . 2 . 841 . . 116 VAL CG2 . 26580 1 1204 . 1 1 116 116 VAL N N 15 125.356 . . 1 . 95 . . 116 VAL N . 26580 1 1205 . 1 1 117 117 THR H H 1 7.372 . . 1 . 529 . . 117 THR H . 26580 1 1206 . 1 1 117 117 THR HA H 1 4.434 . . 1 . 1373 . . 117 THR HA . 26580 1 1207 . 1 1 117 117 THR HG21 H 1 1.009 . . 1 . 1109 . . 117 THR HG21 . 26580 1 1208 . 1 1 117 117 THR HG22 H 1 1.009 . . 1 . 1109 . . 117 THR HG22 . 26580 1 1209 . 1 1 117 117 THR HG23 H 1 1.009 . . 1 . 1109 . . 117 THR HG23 . 26580 1 1210 . 1 1 117 117 THR C C 13 175.034 . . 1 . 743 . . 117 THR C . 26580 1 1211 . 1 1 117 117 THR CA C 13 58.998 . . 1 . 531 . . 117 THR CA . 26580 1 1212 . 1 1 117 117 THR CB C 13 72.888 . . 1 . 532 . . 117 THR CB . 26580 1 1213 . 1 1 117 117 THR CG2 C 13 21.266 . . 1 . 994 . . 117 THR CG2 . 26580 1 1214 . 1 1 117 117 THR N N 15 114.570 . . 1 . 530 . . 117 THR N . 26580 1 1215 . 1 1 118 118 LEU H H 1 9.949 . . 1 . 84 . . 118 LEU H . 26580 1 1216 . 1 1 118 118 LEU HB2 H 1 1.559 . . 1 . 1574 . . 118 LEU HB2 . 26580 1 1217 . 1 1 118 118 LEU HB3 H 1 1.559 . . 1 . 1706 . . 118 LEU HB3 . 26580 1 1218 . 1 1 118 118 LEU HG H 1 1.447 . . 1 . 1266 . . 118 LEU HG . 26580 1 1219 . 1 1 118 118 LEU HD11 H 1 0.732 . . 2 . 954 . . 118 LEU HD11 . 26580 1 1220 . 1 1 118 118 LEU HD12 H 1 0.732 . . 2 . 954 . . 118 LEU HD12 . 26580 1 1221 . 1 1 118 118 LEU HD13 H 1 0.732 . . 2 . 954 . . 118 LEU HD13 . 26580 1 1222 . 1 1 118 118 LEU HD21 H 1 0.743 . . 2 . 973 . . 118 LEU HD21 . 26580 1 1223 . 1 1 118 118 LEU HD22 H 1 0.743 . . 2 . 973 . . 118 LEU HD22 . 26580 1 1224 . 1 1 118 118 LEU HD23 H 1 0.743 . . 2 . 973 . . 118 LEU HD23 . 26580 1 1225 . 1 1 118 118 LEU C C 13 178.506 . . 1 . 621 . . 118 LEU C . 26580 1 1226 . 1 1 118 118 LEU CA C 13 57.871 . . 1 . 86 . . 118 LEU CA . 26580 1 1227 . 1 1 118 118 LEU CB C 13 40.482 . . 1 . 87 . . 118 LEU CB . 26580 1 1228 . 1 1 118 118 LEU CD1 C 13 24.160 . . 2 . 874 . . 118 LEU CD1 . 26580 1 1229 . 1 1 118 118 LEU CD2 C 13 24.528 . . 2 . 906 . . 118 LEU CD2 . 26580 1 1230 . 1 1 118 118 LEU N N 15 125.153 . . 1 . 85 . . 118 LEU N . 26580 1 1231 . 1 1 119 119 ALA H H 1 8.330 . . 1 . 259 . . 119 ALA H . 26580 1 1232 . 1 1 119 119 ALA HA H 1 3.963 . . 1 . 1268 . . 119 ALA HA . 26580 1 1233 . 1 1 119 119 ALA HB1 H 1 1.217 . . 1 . 1072 . . 119 ALA HB1 . 26580 1 1234 . 1 1 119 119 ALA HB2 H 1 1.217 . . 1 . 1072 . . 119 ALA HB2 . 26580 1 1235 . 1 1 119 119 ALA HB3 H 1 1.217 . . 1 . 1072 . . 119 ALA HB3 . 26580 1 1236 . 1 1 119 119 ALA C C 13 180.865 . . 1 . 666 . . 119 ALA C . 26580 1 1237 . 1 1 119 119 ALA CA C 13 54.461 . . 1 . 261 . . 119 ALA CA . 26580 1 1238 . 1 1 119 119 ALA CB C 13 17.840 . . 1 . 262 . . 119 ALA CB . 26580 1 1239 . 1 1 119 119 ALA N N 15 121.071 . . 1 . 260 . . 119 ALA N . 26580 1 1240 . 1 1 120 120 ASP H H 1 7.342 . . 1 . 510 . . 120 ASP H . 26580 1 1241 . 1 1 120 120 ASP HA H 1 4.311 . . 1 . 1024 . . 120 ASP HA . 26580 1 1242 . 1 1 120 120 ASP C C 13 178.348 . . 1 . 738 . . 120 ASP C . 26580 1 1243 . 1 1 120 120 ASP CA C 13 57.271 . . 1 . 512 . . 120 ASP CA . 26580 1 1244 . 1 1 120 120 ASP CB C 13 42.119 . . 1 . 513 . . 120 ASP CB . 26580 1 1245 . 1 1 120 120 ASP N N 15 116.509 . . 1 . 511 . . 120 ASP N . 26580 1 1246 . 1 1 121 121 ILE H H 1 7.556 . . 1 . 356 . . 121 ILE H . 26580 1 1247 . 1 1 121 121 ILE HA H 1 3.415 . . 1 . 1303 . . 121 ILE HA . 26580 1 1248 . 1 1 121 121 ILE HB H 1 1.866 . . 1 . 1269 . . 121 ILE HB . 26580 1 1249 . 1 1 121 121 ILE HG12 H 1 0.898 . . 1 . 1270 . . 121 ILE HG12 . 26580 1 1250 . 1 1 121 121 ILE HG21 H 1 0.620 . . 1 . 1096 . . 121 ILE HG21 . 26580 1 1251 . 1 1 121 121 ILE HG22 H 1 0.620 . . 1 . 1096 . . 121 ILE HG22 . 26580 1 1252 . 1 1 121 121 ILE HG23 H 1 0.620 . . 1 . 1096 . . 121 ILE HG23 . 26580 1 1253 . 1 1 121 121 ILE HD11 H 1 0.423 . . 1 . 955 . . 121 ILE HD11 . 26580 1 1254 . 1 1 121 121 ILE HD12 H 1 0.423 . . 1 . 955 . . 121 ILE HD12 . 26580 1 1255 . 1 1 121 121 ILE HD13 H 1 0.423 . . 1 . 955 . . 121 ILE HD13 . 26580 1 1256 . 1 1 121 121 ILE C C 13 177.551 . . 1 . 695 . . 121 ILE C . 26580 1 1257 . 1 1 121 121 ILE CA C 13 63.294 . . 1 . 358 . . 121 ILE CA . 26580 1 1258 . 1 1 121 121 ILE CB C 13 36.411 . . 1 . 359 . . 121 ILE CB . 26580 1 1259 . 1 1 121 121 ILE CG1 C 13 28.395 . . 1 . 1178 . . 121 ILE CG1 . 26580 1 1260 . 1 1 121 121 ILE CG2 C 13 17.273 . . 1 . 1170 . . 121 ILE CG2 . 26580 1 1261 . 1 1 121 121 ILE CD1 C 13 11.233 . . 1 . 890 . . 121 ILE CD1 . 26580 1 1262 . 1 1 121 121 ILE N N 15 119.999 . . 1 . 357 . . 121 ILE N . 26580 1 1263 . 1 1 122 122 GLU H H 1 8.307 . . 1 . 330 . . 122 GLU H . 26580 1 1264 . 1 1 122 122 GLU HA H 1 3.632 . . 1 . 1378 . . 122 GLU HA . 26580 1 1265 . 1 1 122 122 GLU HB2 H 1 1.917 . . 1 . 1371 . . 122 GLU HB2 . 26580 1 1266 . 1 1 122 122 GLU HB3 H 1 1.917 . . 1 . 1447 . . 122 GLU HB3 . 26580 1 1267 . 1 1 122 122 GLU HG2 H 1 2.262 . . 1 . 1504 . . 122 GLU HG2 . 26580 1 1268 . 1 1 122 122 GLU HG3 H 1 2.262 . . 1 . 1707 . . 122 GLU HG3 . 26580 1 1269 . 1 1 122 122 GLU C C 13 178.151 . . 1 . 683 . . 122 GLU C . 26580 1 1270 . 1 1 122 122 GLU CA C 13 58.919 . . 1 . 332 . . 122 GLU CA . 26580 1 1271 . 1 1 122 122 GLU CB C 13 28.893 . . 1 . 333 . . 122 GLU CB . 26580 1 1272 . 1 1 122 122 GLU CG C 13 36.134 . . 1 . 814 . . 122 GLU CG . 26580 1 1273 . 1 1 122 122 GLU N N 15 118.926 . . 1 . 331 . . 122 GLU N . 26580 1 1274 . 1 1 123 123 ARG H H 1 7.105 . . 1 . 502 . . 123 ARG H . 26580 1 1275 . 1 1 123 123 ARG HA H 1 4.413 . . 1 . 1025 . . 123 ARG HA . 26580 1 1276 . 1 1 123 123 ARG HB2 H 1 1.859 . . 1 . 1273 . . 123 ARG HB2 . 26580 1 1277 . 1 1 123 123 ARG HB3 H 1 1.859 . . 1 . 1448 . . 123 ARG HB3 . 26580 1 1278 . 1 1 123 123 ARG HG2 H 1 1.585 . . 1 . 1274 . . 123 ARG HG2 . 26580 1 1279 . 1 1 123 123 ARG HG3 H 1 1.585 . . 1 . 1449 . . 123 ARG HG3 . 26580 1 1280 . 1 1 123 123 ARG HD2 H 1 3.156 . . 1 . 1520 . . 123 ARG HD2 . 26580 1 1281 . 1 1 123 123 ARG HD3 H 1 3.156 . . 1 . 1708 . . 123 ARG HD3 . 26580 1 1282 . 1 1 123 123 ARG C C 13 177.896 . . 1 . 736 . . 123 ARG C . 26580 1 1283 . 1 1 123 123 ARG CA C 13 58.081 . . 1 . 504 . . 123 ARG CA . 26580 1 1284 . 1 1 123 123 ARG CB C 13 30.228 . . 1 . 505 . . 123 ARG CB . 26580 1 1285 . 1 1 123 123 ARG CG C 13 27.232 . . 1 . 815 . . 123 ARG CG . 26580 1 1286 . 1 1 123 123 ARG CD C 13 42.846 . . 1 . 864 . . 123 ARG CD . 26580 1 1287 . 1 1 123 123 ARG N N 15 116.295 . . 1 . 503 . . 123 ARG N . 26580 1 1288 . 1 1 124 124 ILE H H 1 7.282 . . 1 . 518 . . 124 ILE H . 26580 1 1289 . 1 1 124 124 ILE HA H 1 4.295 . . 1 . 1318 . . 124 ILE HA . 26580 1 1290 . 1 1 124 124 ILE HB H 1 1.978 . . 1 . 1074 . . 124 ILE HB . 26580 1 1291 . 1 1 124 124 ILE HG12 H 1 1.113 . . 1 . 1110 . . 124 ILE HG12 . 26580 1 1292 . 1 1 124 124 ILE HG21 H 1 0.811 . . 1 . 1097 . . 124 ILE HG21 . 26580 1 1293 . 1 1 124 124 ILE HG22 H 1 0.811 . . 1 . 1097 . . 124 ILE HG22 . 26580 1 1294 . 1 1 124 124 ILE HG23 H 1 0.811 . . 1 . 1097 . . 124 ILE HG23 . 26580 1 1295 . 1 1 124 124 ILE HD11 H 1 0.521 . . 1 . 956 . . 124 ILE HD11 . 26580 1 1296 . 1 1 124 124 ILE HD12 H 1 0.521 . . 1 . 956 . . 124 ILE HD12 . 26580 1 1297 . 1 1 124 124 ILE HD13 H 1 0.521 . . 1 . 956 . . 124 ILE HD13 . 26580 1 1298 . 1 1 124 124 ILE C C 13 176.744 . . 1 . 740 . . 124 ILE C . 26580 1 1299 . 1 1 124 124 ILE CA C 13 60.581 . . 1 . 520 . . 124 ILE CA . 26580 1 1300 . 1 1 124 124 ILE CB C 13 38.863 . . 1 . 521 . . 124 ILE CB . 26580 1 1301 . 1 1 124 124 ILE CG1 C 13 26.000 . . 1 . 1179 . . 124 ILE CG1 . 26580 1 1302 . 1 1 124 124 ILE CG2 C 13 18.413 . . 1 . 1171 . . 124 ILE CG2 . 26580 1 1303 . 1 1 124 124 ILE CD1 C 13 14.023 . . 1 . 875 . . 124 ILE CD1 . 26580 1 1304 . 1 1 124 124 ILE N N 15 111.377 . . 1 . 519 . . 124 ILE N . 26580 1 1305 . 1 1 125 125 LYS H H 1 7.588 . . 1 . 224 . . 125 LYS H . 26580 1 1306 . 1 1 125 125 LYS CA C 13 54.557 . . 1 . 226 . . 125 LYS CA . 26580 1 1307 . 1 1 125 125 LYS CB C 13 31.327 . . 1 . 227 . . 125 LYS CB . 26580 1 1308 . 1 1 125 125 LYS N N 15 122.973 . . 1 . 225 . . 125 LYS N . 26580 1 1309 . 1 1 127 127 CYS H H 1 7.842 . . 1 . 537 . . 127 CYS H . 26580 1 1310 . 1 1 127 127 CYS HA H 1 4.448 . . 1 . 1410 . . 127 CYS HA . 26580 1 1311 . 1 1 127 127 CYS HB2 H 1 2.739 . . 1 . 1615 . . 127 CYS HB2 . 26580 1 1312 . 1 1 127 127 CYS HB3 H 1 2.739 . . 1 . 1709 . . 127 CYS HB3 . 26580 1 1313 . 1 1 127 127 CYS C C 13 173.391 . . 1 . 746 . . 127 CYS C . 26580 1 1314 . 1 1 127 127 CYS CA C 13 56.584 . . 1 . 768 . . 127 CYS CA . 26580 1 1315 . 1 1 127 127 CYS CB C 13 28.633 . . 1 . 745 . . 127 CYS CB . 26580 1 1316 . 1 1 127 127 CYS N N 15 117.280 . . 1 . 538 . . 127 CYS N . 26580 1 1317 . 1 1 128 128 ASP H H 1 8.096 . . 1 . 545 . . 128 ASP H . 26580 1 1318 . 1 1 128 128 ASP HA H 1 4.335 . . 1 . 1026 . . 128 ASP HA . 26580 1 1319 . 1 1 128 128 ASP HB2 H 1 2.438 . . 1 . 1552 . . 128 ASP HB2 . 26580 1 1320 . 1 1 128 128 ASP HB3 H 1 2.438 . . 1 . 1710 . . 128 ASP HB3 . 26580 1 1321 . 1 1 128 128 ASP C C 13 175.876 . . 1 . 750 . . 128 ASP C . 26580 1 1322 . 1 1 128 128 ASP CA C 13 53.996 . . 1 . 547 . . 128 ASP CA . 26580 1 1323 . 1 1 128 128 ASP CB C 13 41.430 . . 1 . 548 . . 128 ASP CB . 26580 1 1324 . 1 1 128 128 ASP N N 15 119.860 . . 1 . 546 . . 128 ASP N . 26580 1 1325 . 1 1 129 129 LYS H H 1 8.165 . . 1 . 285 . . 129 LYS H . 26580 1 1326 . 1 1 129 129 LYS HA H 1 3.959 . . 1 . 1296 . . 129 LYS HA . 26580 1 1327 . 1 1 129 129 LYS HB2 H 1 1.669 . . 1 . 1483 . . 129 LYS HB2 . 26580 1 1328 . 1 1 129 129 LYS HB3 H 1 1.669 . . 1 . 1711 . . 129 LYS HB3 . 26580 1 1329 . 1 1 129 129 LYS HG2 H 1 1.287 . . 1 . 1505 . . 129 LYS HG2 . 26580 1 1330 . 1 1 129 129 LYS HG3 H 1 1.287 . . 1 . 1714 . . 129 LYS HG3 . 26580 1 1331 . 1 1 129 129 LYS HD2 H 1 1.490 . . 1 . 1521 . . 129 LYS HD2 . 26580 1 1332 . 1 1 129 129 LYS HD3 H 1 1.490 . . 1 . 1712 . . 129 LYS HD3 . 26580 1 1333 . 1 1 129 129 LYS HE2 H 1 2.841 . . 1 . 1528 . . 129 LYS HE2 . 26580 1 1334 . 1 1 129 129 LYS HE3 H 1 2.841 . . 1 . 1713 . . 129 LYS HE3 . 26580 1 1335 . 1 1 129 129 LYS C C 13 177.719 . . 1 . 596 . . 129 LYS C . 26580 1 1336 . 1 1 129 129 LYS CA C 13 57.402 . . 1 . 287 . . 129 LYS CA . 26580 1 1337 . 1 1 129 129 LYS CB C 13 31.875 . . 1 . 288 . . 129 LYS CB . 26580 1 1338 . 1 1 129 129 LYS CG C 13 23.719 . . 1 . 1163 . . 129 LYS CG . 26580 1 1339 . 1 1 129 129 LYS CD C 13 28.317 . . 1 . 1184 . . 129 LYS CD . 26580 1 1340 . 1 1 129 129 LYS CE C 13 41.853 . . 1 . 1190 . . 129 LYS CE . 26580 1 1341 . 1 1 129 129 LYS N N 15 121.044 . . 1 . 286 . . 129 LYS N . 26580 1 1342 . 1 1 130 130 GLY H H 1 8.571 . . 1 . 489 . . 130 GLY H . 26580 1 1343 . 1 1 130 130 GLY HA2 H 1 3.632 . . 1 . 1776 . . 130 GLY HA2 . 26580 1 1344 . 1 1 130 130 GLY HA3 H 1 3.632 . . 1 . 1899 . . 130 GLY HA3 . 26580 1 1345 . 1 1 130 130 GLY C C 13 173.710 . . 1 . 731 . . 130 GLY C . 26580 1 1346 . 1 1 130 130 GLY CA C 13 44.974 . . 1 . 491 . . 130 GLY CA . 26580 1 1347 . 1 1 130 130 GLY N N 15 109.073 . . 1 . 490 . . 130 GLY N . 26580 1 1348 . 1 1 131 131 VAL H H 1 7.364 . . 1 . 210 . . 131 VAL H . 26580 1 1349 . 1 1 131 131 VAL HA H 1 4.015 . . 1 . 1159 . . 131 VAL HA . 26580 1 1350 . 1 1 131 131 VAL HB H 1 1.908 . . 1 . 1076 . . 131 VAL HB . 26580 1 1351 . 1 1 131 131 VAL HG11 H 1 0.755 . . 2 . 921 . . 131 VAL HG11 . 26580 1 1352 . 1 1 131 131 VAL HG12 H 1 0.755 . . 2 . 921 . . 131 VAL HG12 . 26580 1 1353 . 1 1 131 131 VAL HG13 H 1 0.755 . . 2 . 921 . . 131 VAL HG13 . 26580 1 1354 . 1 1 131 131 VAL HG21 H 1 0.724 . . 2 . 934 . . 131 VAL HG21 . 26580 1 1355 . 1 1 131 131 VAL HG22 H 1 0.724 . . 2 . 934 . . 131 VAL HG22 . 26580 1 1356 . 1 1 131 131 VAL HG23 H 1 0.724 . . 2 . 934 . . 131 VAL HG23 . 26580 1 1357 . 1 1 131 131 VAL C C 13 175.263 . . 1 . 655 . . 131 VAL C . 26580 1 1358 . 1 1 131 131 VAL CA C 13 61.148 . . 1 . 212 . . 131 VAL CA . 26580 1 1359 . 1 1 131 131 VAL CB C 13 32.559 . . 1 . 223 . . 131 VAL CB . 26580 1 1360 . 1 1 131 131 VAL CG1 C 13 21.012 . . 2 . 831 . . 131 VAL CG1 . 26580 1 1361 . 1 1 131 131 VAL CG2 C 13 20.728 . . 2 . 850 . . 131 VAL CG2 . 26580 1 1362 . 1 1 131 131 VAL N N 15 120.649 . . 1 . 211 . . 131 VAL N . 26580 1 1363 . 1 1 132 132 LEU H H 1 8.275 . . 1 . 46 . . 132 LEU H . 26580 1 1364 . 1 1 132 132 LEU HA H 1 4.244 . . 1 . 1319 . . 132 LEU HA . 26580 1 1365 . 1 1 132 132 LEU HD11 H 1 0.596 . . 2 . 984 . . 132 LEU HD11 . 26580 1 1366 . 1 1 132 132 LEU HD12 H 1 0.596 . . 2 . 984 . . 132 LEU HD12 . 26580 1 1367 . 1 1 132 132 LEU HD13 H 1 0.596 . . 2 . 984 . . 132 LEU HD13 . 26580 1 1368 . 1 1 132 132 LEU HD21 H 1 0.693 . . 2 . 985 . . 132 LEU HD21 . 26580 1 1369 . 1 1 132 132 LEU HD22 H 1 0.693 . . 2 . 985 . . 132 LEU HD22 . 26580 1 1370 . 1 1 132 132 LEU HD23 H 1 0.693 . . 2 . 985 . . 132 LEU HD23 . 26580 1 1371 . 1 1 132 132 LEU C C 13 176.668 . . 1 . 610 . . 132 LEU C . 26580 1 1372 . 1 1 132 132 LEU CA C 13 53.956 . . 1 . 48 . . 132 LEU CA . 26580 1 1373 . 1 1 132 132 LEU CB C 13 42.901 . . 1 . 49 . . 132 LEU CB . 26580 1 1374 . 1 1 132 132 LEU CD1 C 13 22.679 . . 2 . 887 . . 132 LEU CD1 . 26580 1 1375 . 1 1 132 132 LEU CD2 C 13 25.466 . . 2 . 909 . . 132 LEU CD2 . 26580 1 1376 . 1 1 132 132 LEU N N 15 126.999 . . 1 . 47 . . 132 LEU N . 26580 1 1377 . 1 1 133 133 THR H H 1 8.770 . . 1 . 442 . . 133 THR H . 26580 1 1378 . 1 1 133 133 THR HA H 1 4.437 . . 1 . 1320 . . 133 THR HA . 26580 1 1379 . 1 1 133 133 THR HB H 1 3.923 . . 1 . 1321 . . 133 THR HB . 26580 1 1380 . 1 1 133 133 THR HG21 H 1 0.936 . . 1 . 1111 . . 133 THR HG21 . 26580 1 1381 . 1 1 133 133 THR HG22 H 1 0.936 . . 1 . 1111 . . 133 THR HG22 . 26580 1 1382 . 1 1 133 133 THR HG23 H 1 0.936 . . 1 . 1111 . . 133 THR HG23 . 26580 1 1383 . 1 1 133 133 THR C C 13 174.224 . . 1 . 719 . . 133 THR C . 26580 1 1384 . 1 1 133 133 THR CA C 13 61.930 . . 1 . 444 . . 133 THR CA . 26580 1 1385 . 1 1 133 133 THR CB C 13 70.936 . . 1 . 718 . . 133 THR CB . 26580 1 1386 . 1 1 133 133 THR CG2 C 13 22.811 . . 1 . 995 . . 133 THR CG2 . 26580 1 1387 . 1 1 133 133 THR N N 15 114.262 . . 1 . 443 . . 133 THR N . 26580 1 1388 . 1 1 134 134 ASN H H 1 8.903 . . 1 . 148 . . 134 ASN H . 26580 1 1389 . 1 1 134 134 ASN HA H 1 5.500 . . 1 . 1417 . . 134 ASN HA . 26580 1 1390 . 1 1 134 134 ASN HB2 H 1 2.216 . . 1 . 1618 . . 134 ASN HB2 . 26580 1 1391 . 1 1 134 134 ASN HB3 H 1 2.216 . . 1 . 1715 . . 134 ASN HB3 . 26580 1 1392 . 1 1 134 134 ASN C C 13 174.802 . . 1 . 640 . . 134 ASN C . 26580 1 1393 . 1 1 134 134 ASN CA C 13 51.475 . . 1 . 150 . . 134 ASN CA . 26580 1 1394 . 1 1 134 134 ASN CB C 13 43.179 . . 1 . 222 . . 134 ASN CB . 26580 1 1395 . 1 1 134 134 ASN N N 15 122.071 . . 1 . 149 . . 134 ASN N . 26580 1 1396 . 1 1 135 135 CYS H H 1 9.127 . . 1 . 466 . . 135 CYS H . 26580 1 1397 . 1 1 135 135 CYS HA H 1 5.859 . . 1 . 1416 . . 135 CYS HA . 26580 1 1398 . 1 1 135 135 CYS HB2 H 1 2.562 . . 1 . 1617 . . 135 CYS HB2 . 26580 1 1399 . 1 1 135 135 CYS HB3 H 1 2.562 . . 1 . 1716 . . 135 CYS HB3 . 26580 1 1400 . 1 1 135 135 CYS C C 13 172.604 . . 1 . 725 . . 135 CYS C . 26580 1 1401 . 1 1 135 135 CYS CA C 13 56.817 . . 1 . 468 . . 135 CYS CA . 26580 1 1402 . 1 1 135 135 CYS CB C 13 31.794 . . 1 . 469 . . 135 CYS CB . 26580 1 1403 . 1 1 135 135 CYS N N 15 114.964 . . 1 . 467 . . 135 CYS N . 26580 1 1404 . 1 1 136 136 VAL H H 1 8.775 . . 1 . 175 . . 136 VAL H . 26580 1 1405 . 1 1 136 136 VAL HA H 1 4.546 . . 1 . 1288 . . 136 VAL HA . 26580 1 1406 . 1 1 136 136 VAL HB H 1 1.738 . . 1 . 1232 . . 136 VAL HB . 26580 1 1407 . 1 1 136 136 VAL HG11 H 1 0.697 . . 2 . 919 . . 136 VAL HG11 . 26580 1 1408 . 1 1 136 136 VAL HG12 H 1 0.697 . . 2 . 919 . . 136 VAL HG12 . 26580 1 1409 . 1 1 136 136 VAL HG13 H 1 0.697 . . 2 . 919 . . 136 VAL HG13 . 26580 1 1410 . 1 1 136 136 VAL HG21 H 1 0.674 . . 2 . 932 . . 136 VAL HG21 . 26580 1 1411 . 1 1 136 136 VAL HG22 H 1 0.674 . . 2 . 932 . . 136 VAL HG22 . 26580 1 1412 . 1 1 136 136 VAL HG23 H 1 0.674 . . 2 . 932 . . 136 VAL HG23 . 26580 1 1413 . 1 1 136 136 VAL C C 13 173.317 . . 1 . 647 . . 136 VAL C . 26580 1 1414 . 1 1 136 136 VAL CA C 13 60.348 . . 1 . 177 . . 136 VAL CA . 26580 1 1415 . 1 1 136 136 VAL CB C 13 35.255 . . 1 . 178 . . 136 VAL CB . 26580 1 1416 . 1 1 136 136 VAL CG1 C 13 20.048 . . 2 . 832 . . 136 VAL CG1 . 26580 1 1417 . 1 1 136 136 VAL CG2 C 13 21.132 . . 2 . 842 . . 136 VAL CG2 . 26580 1 1418 . 1 1 136 136 VAL N N 15 121.740 . . 1 . 176 . . 136 VAL N . 26580 1 1419 . 1 1 137 137 VAL H H 1 10.076 . . 1 . 90 . . 137 VAL H . 26580 1 1420 . 1 1 137 137 VAL HA H 1 4.382 . . 1 . 1291 . . 137 VAL HA . 26580 1 1421 . 1 1 137 137 VAL HB H 1 1.997 . . 1 . 1231 . . 137 VAL HB . 26580 1 1422 . 1 1 137 137 VAL HG11 H 1 0.779 . . 2 . 922 . . 137 VAL HG11 . 26580 1 1423 . 1 1 137 137 VAL HG12 H 1 0.779 . . 2 . 922 . . 137 VAL HG12 . 26580 1 1424 . 1 1 137 137 VAL HG13 H 1 0.779 . . 2 . 922 . . 137 VAL HG13 . 26580 1 1425 . 1 1 137 137 VAL HG21 H 1 0.656 . . 2 . 935 . . 137 VAL HG21 . 26580 1 1426 . 1 1 137 137 VAL HG22 H 1 0.656 . . 2 . 935 . . 137 VAL HG22 . 26580 1 1427 . 1 1 137 137 VAL HG23 H 1 0.656 . . 2 . 935 . . 137 VAL HG23 . 26580 1 1428 . 1 1 137 137 VAL C C 13 174.993 . . 1 . 622 . . 137 VAL C . 26580 1 1429 . 1 1 137 137 VAL CA C 13 61.199 . . 1 . 92 . . 137 VAL CA . 26580 1 1430 . 1 1 137 137 VAL CB C 13 31.325 . . 1 . 93 . . 137 VAL CB . 26580 1 1431 . 1 1 137 137 VAL CG1 C 13 20.364 . . 2 . 833 . . 137 VAL CG1 . 26580 1 1432 . 1 1 137 137 VAL CG2 C 13 22.474 . . 2 . 843 . . 137 VAL CG2 . 26580 1 1433 . 1 1 137 137 VAL N N 15 129.400 . . 1 . 91 . . 137 VAL N . 26580 1 1434 . 1 1 138 138 ARG H H 1 9.112 . . 1 . 583 . . 138 ARG H . 26580 1 1435 . 1 1 138 138 ARG HA H 1 4.888 . . 1 . 1367 . . 138 ARG HA . 26580 1 1436 . 1 1 138 138 ARG HB2 H 1 1.795 . . 1 . 1603 . . 138 ARG HB2 . 26580 1 1437 . 1 1 138 138 ARG HB3 H 1 1.795 . . 1 . 1717 . . 138 ARG HB3 . 26580 1 1438 . 1 1 138 138 ARG HG2 H 1 1.542 . . 1 . 1604 . . 138 ARG HG2 . 26580 1 1439 . 1 1 138 138 ARG HG3 H 1 1.542 . . 1 . 1718 . . 138 ARG HG3 . 26580 1 1440 . 1 1 138 138 ARG HD2 H 1 3.061 . . 1 . 1150 . . 138 ARG HD2 . 26580 1 1441 . 1 1 138 138 ARG HD3 H 1 3.061 . . 1 . 1450 . . 138 ARG HD3 . 26580 1 1442 . 1 1 138 138 ARG C C 13 176.228 . . 1 . 588 . . 138 ARG C . 26580 1 1443 . 1 1 138 138 ARG CA C 13 52.563 . . 1 . 590 . . 138 ARG CA . 26580 1 1444 . 1 1 138 138 ARG CB C 13 32.705 . . 1 . 779 . . 138 ARG CB . 26580 1 1445 . 1 1 138 138 ARG CG C 13 25.681 . . 1 . 816 . . 138 ARG CG . 26580 1 1446 . 1 1 138 138 ARG CD C 13 43.178 . . 1 . 865 . . 138 ARG CD . 26580 1 1447 . 1 1 138 138 ARG N N 15 125.282 . . 1 . 584 . . 138 ARG N . 26580 1 1448 . 1 1 139 139 LYS H H 1 9.039 . . 1 . 100 . . 139 LYS H . 26580 1 1449 . 1 1 139 139 LYS HA H 1 4.025 . . 1 . 1363 . . 139 LYS HA . 26580 1 1450 . 1 1 139 139 LYS HB2 H 1 1.690 . . 1 . 1601 . . 139 LYS HB2 . 26580 1 1451 . 1 1 139 139 LYS HB3 H 1 1.690 . . 1 . 1719 . . 139 LYS HB3 . 26580 1 1452 . 1 1 139 139 LYS HG2 H 1 1.106 . . 1 . 1551 . . 139 LYS HG2 . 26580 1 1453 . 1 1 139 139 LYS HG3 H 1 1.106 . . 1 . 1722 . . 139 LYS HG3 . 26580 1 1454 . 1 1 139 139 LYS HD2 H 1 1.539 . . 1 . 1602 . . 139 LYS HD2 . 26580 1 1455 . 1 1 139 139 LYS HD3 H 1 1.539 . . 1 . 1720 . . 139 LYS HD3 . 26580 1 1456 . 1 1 139 139 LYS HE2 H 1 2.835 . . 1 . 1524 . . 139 LYS HE2 . 26580 1 1457 . 1 1 139 139 LYS HE3 H 1 2.835 . . 1 . 1721 . . 139 LYS HE3 . 26580 1 1458 . 1 1 139 139 LYS C C 13 176.676 . . 1 . 625 . . 139 LYS C . 26580 1 1459 . 1 1 139 139 LYS CA C 13 56.204 . . 1 . 102 . . 139 LYS CA . 26580 1 1460 . 1 1 139 139 LYS CB C 13 32.713 . . 1 . 220 . . 139 LYS CB . 26580 1 1461 . 1 1 139 139 LYS CG C 13 24.412 . . 1 . 817 . . 139 LYS CG . 26580 1 1462 . 1 1 139 139 LYS CD C 13 28.772 . . 1 . 866 . . 139 LYS CD . 26580 1 1463 . 1 1 139 139 LYS CE C 13 41.963 . . 1 . 1191 . . 139 LYS CE . 26580 1 1464 . 1 1 139 139 LYS N N 15 124.733 . . 1 . 101 . . 139 LYS N . 26580 1 1465 . 1 1 140 140 SER H H 1 7.817 . . 1 . 541 . . 140 SER H . 26580 1 1466 . 1 1 140 140 SER HA H 1 4.339 . . 1 . 1364 . . 140 SER HA . 26580 1 1467 . 1 1 140 140 SER HB2 H 1 3.593 . . 1 . 1384 . . 140 SER HB2 . 26580 1 1468 . 1 1 140 140 SER HB3 H 1 3.593 . . 1 . 1451 . . 140 SER HB3 . 26580 1 1469 . 1 1 140 140 SER C C 13 174.881 . . 1 . 790 . . 140 SER C . 26580 1 1470 . 1 1 140 140 SER CA C 13 57.645 . . 1 . 763 . . 140 SER CA . 26580 1 1471 . 1 1 140 140 SER CB C 13 63.932 . . 1 . 778 . . 140 SER CB . 26580 1 1472 . 1 1 140 140 SER N N 15 121.139 . . 1 . 542 . . 140 SER N . 26580 1 1473 . 1 1 141 141 ASN H H 1 8.742 . . 1 . 770 . . 141 ASN H . 26580 1 1474 . 1 1 141 141 ASN C C 13 175.718 . . 1 . 789 . . 141 ASN C . 26580 1 1475 . 1 1 141 141 ASN CA C 13 54.653 . . 1 . 772 . . 141 ASN CA . 26580 1 1476 . 1 1 141 141 ASN CB C 13 37.909 . . 1 . 773 . . 141 ASN CB . 26580 1 1477 . 1 1 141 141 ASN N N 15 121.859 . . 1 . 771 . . 141 ASN N . 26580 1 1478 . 1 1 142 142 SER H H 1 8.057 . . 1 . 478 . . 142 SER H . 26580 1 1479 . 1 1 142 142 SER C C 13 174.731 . . 1 . 728 . . 142 SER C . 26580 1 1480 . 1 1 142 142 SER CA C 13 57.521 . . 1 . 480 . . 142 SER CA . 26580 1 1481 . 1 1 142 142 SER CB C 13 63.991 . . 1 . 481 . . 142 SER CB . 26580 1 1482 . 1 1 142 142 SER N N 15 113.472 . . 1 . 479 . . 142 SER N . 26580 1 1483 . 1 1 143 143 GLY H H 1 8.065 . . 1 . 213 . . 143 GLY H . 26580 1 1484 . 1 1 143 143 GLY HA2 H 1 3.950 . . 1 . 1777 . . 143 GLY HA2 . 26580 1 1485 . 1 1 143 143 GLY HA3 H 1 3.950 . . 1 . 1900 . . 143 GLY HA3 . 26580 1 1486 . 1 1 143 143 GLY C C 13 174.163 . . 1 . 656 . . 143 GLY C . 26580 1 1487 . 1 1 143 143 GLY CA C 13 45.182 . . 1 . 215 . . 143 GLY CA . 26580 1 1488 . 1 1 143 143 GLY N N 15 111.117 . . 1 . 214 . . 143 GLY N . 26580 1 1489 . 1 1 144 144 MET H H 1 8.252 . . 1 . 316 . . 144 MET H . 26580 1 1490 . 1 1 144 144 MET HA H 1 4.365 . . 1 . 1029 . . 144 MET HA . 26580 1 1491 . 1 1 144 144 MET HB2 H 1 2.151 . . 1 . 1550 . . 144 MET HB2 . 26580 1 1492 . 1 1 144 144 MET HB3 H 1 2.151 . . 1 . 1723 . . 144 MET HB3 . 26580 1 1493 . 1 1 144 144 MET HG2 H 1 2.471 . . 1 . 1506 . . 144 MET HG2 . 26580 1 1494 . 1 1 144 144 MET HG3 H 1 2.471 . . 1 . 1724 . . 144 MET HG3 . 26580 1 1495 . 1 1 144 144 MET C C 13 175.188 . . 1 . 679 . . 144 MET C . 26580 1 1496 . 1 1 144 144 MET CA C 13 54.600 . . 1 . 318 . . 144 MET CA . 26580 1 1497 . 1 1 144 144 MET CB C 13 31.404 . . 1 . 678 . . 144 MET CB . 26580 1 1498 . 1 1 144 144 MET CG C 13 31.842 . . 1 . 818 . . 144 MET CG . 26580 1 1499 . 1 1 144 144 MET N N 15 120.165 . . 1 . 317 . . 144 MET N . 26580 1 1500 . 1 1 145 145 SER H H 1 7.290 . . 1 . 525 . . 145 SER H . 26580 1 1501 . 1 1 145 145 SER HA H 1 4.407 . . 1 . 1030 . . 145 SER HA . 26580 1 1502 . 1 1 145 145 SER HB2 H 1 3.384 . . 1 . 1227 . . 145 SER HB2 . 26580 1 1503 . 1 1 145 145 SER HB3 H 1 3.384 . . 1 . 1457 . . 145 SER HB3 . 26580 1 1504 . 1 1 145 145 SER C C 13 172.525 . . 1 . 742 . . 145 SER C . 26580 1 1505 . 1 1 145 145 SER CA C 13 57.255 . . 1 . 527 . . 145 SER CA . 26580 1 1506 . 1 1 145 145 SER CB C 13 64.436 . . 1 . 528 . . 145 SER CB . 26580 1 1507 . 1 1 145 145 SER N N 15 112.817 . . 1 . 526 . . 145 SER N . 26580 1 1508 . 1 1 146 146 TYR H H 1 7.743 . . 1 . 379 . . 146 TYR H . 26580 1 1509 . 1 1 146 146 TYR HA H 1 4.913 . . 1 . 1031 . . 146 TYR HA . 26580 1 1510 . 1 1 146 146 TYR HB2 H 1 2.647 . . 1 . 1549 . . 146 TYR HB2 . 26580 1 1511 . 1 1 146 146 TYR HB3 H 1 2.647 . . 1 . 1725 . . 146 TYR HB3 . 26580 1 1512 . 1 1 146 146 TYR C C 13 173.777 . . 1 . 700 . . 146 TYR C . 26580 1 1513 . 1 1 146 146 TYR CA C 13 56.533 . . 1 . 381 . . 146 TYR CA . 26580 1 1514 . 1 1 146 146 TYR CB C 13 42.884 . . 1 . 382 . . 146 TYR CB . 26580 1 1515 . 1 1 146 146 TYR N N 15 118.363 . . 1 . 380 . . 146 TYR N . 26580 1 1516 . 1 1 147 147 ASN H H 1 9.262 . . 1 . 198 . . 147 ASN H . 26580 1 1517 . 1 1 147 147 ASN HA H 1 5.393 . . 1 . 1427 . . 147 ASN HA . 26580 1 1518 . 1 1 147 147 ASN HB2 H 1 2.170 . . 1 . 1624 . . 147 ASN HB2 . 26580 1 1519 . 1 1 147 147 ASN HB3 H 1 2.170 . . 1 . 1726 . . 147 ASN HB3 . 26580 1 1520 . 1 1 147 147 ASN C C 13 174.471 . . 1 . 578 . . 147 ASN C . 26580 1 1521 . 1 1 147 147 ASN CA C 13 51.093 . . 1 . 200 . . 147 ASN CA . 26580 1 1522 . 1 1 147 147 ASN CB C 13 41.283 . . 1 . 201 . . 147 ASN CB . 26580 1 1523 . 1 1 147 147 ASN N N 15 118.054 . . 1 . 199 . . 147 ASN N . 26580 1 1524 . 1 1 148 148 ILE H H 1 8.092 . . 1 . 289 . . 148 ILE H . 26580 1 1525 . 1 1 148 148 ILE HA H 1 4.558 . . 1 . 1283 . . 148 ILE HA . 26580 1 1526 . 1 1 148 148 ILE HB H 1 1.808 . . 1 . 1362 . . 148 ILE HB . 26580 1 1527 . 1 1 148 148 ILE HG12 H 1 1.237 . . 1 . 1112 . . 148 ILE HG12 . 26580 1 1528 . 1 1 148 148 ILE HG21 H 1 0.686 . . 1 . 1098 . . 148 ILE HG21 . 26580 1 1529 . 1 1 148 148 ILE HG22 H 1 0.686 . . 1 . 1098 . . 148 ILE HG22 . 26580 1 1530 . 1 1 148 148 ILE HG23 H 1 0.686 . . 1 . 1098 . . 148 ILE HG23 . 26580 1 1531 . 1 1 148 148 ILE HD11 H 1 0.065 . . 1 . 957 . . 148 ILE HD11 . 26580 1 1532 . 1 1 148 148 ILE HD12 H 1 0.065 . . 1 . 957 . . 148 ILE HD12 . 26580 1 1533 . 1 1 148 148 ILE HD13 H 1 0.065 . . 1 . 957 . . 148 ILE HD13 . 26580 1 1534 . 1 1 148 148 ILE C C 13 175.270 . . 1 . 592 . . 148 ILE C . 26580 1 1535 . 1 1 148 148 ILE CA C 13 58.715 . . 1 . 291 . . 148 ILE CA . 26580 1 1536 . 1 1 148 148 ILE CB C 13 37.769 . . 1 . 292 . . 148 ILE CB . 26580 1 1537 . 1 1 148 148 ILE CG1 C 13 26.376 . . 1 . 1180 . . 148 ILE CG1 . 26580 1 1538 . 1 1 148 148 ILE CG2 C 13 16.633 . . 1 . 1172 . . 148 ILE CG2 . 26580 1 1539 . 1 1 148 148 ILE CD1 C 13 12.293 . . 1 . 876 . . 148 ILE CD1 . 26580 1 1540 . 1 1 148 148 ILE N N 15 121.052 . . 1 . 290 . . 148 ILE N . 26580 1 1541 . 1 1 149 149 GLU H H 1 9.144 . . 1 . 80 . . 149 GLU H . 26580 1 1542 . 1 1 149 149 GLU HA H 1 4.554 . . 1 . 1322 . . 149 GLU HA . 26580 1 1543 . 1 1 149 149 GLU HB2 H 1 1.764 . . 1 . 1485 . . 149 GLU HB2 . 26580 1 1544 . 1 1 149 149 GLU HB3 H 1 1.764 . . 1 . 1727 . . 149 GLU HB3 . 26580 1 1545 . 1 1 149 149 GLU HG2 H 1 2.010 . . 1 . 1507 . . 149 GLU HG2 . 26580 1 1546 . 1 1 149 149 GLU HG3 H 1 2.010 . . 1 . 1728 . . 149 GLU HG3 . 26580 1 1547 . 1 1 149 149 GLU C C 13 175.257 . . 1 . 620 . . 149 GLU C . 26580 1 1548 . 1 1 149 149 GLU CA C 13 54.359 . . 1 . 82 . . 149 GLU CA . 26580 1 1549 . 1 1 149 149 GLU CB C 13 31.471 . . 1 . 83 . . 149 GLU CB . 26580 1 1550 . 1 1 149 149 GLU CG C 13 36.223 . . 1 . 819 . . 149 GLU CG . 26580 1 1551 . 1 1 149 149 GLU N N 15 130.990 . . 1 . 81 . . 149 GLU N . 26580 1 1552 . 1 1 150 150 VAL H H 1 8.398 . . 1 . 65 . . 150 VAL H . 26580 1 1553 . 1 1 150 150 VAL HA H 1 4.608 . . 1 . 1293 . . 150 VAL HA . 26580 1 1554 . 1 1 150 150 VAL HB H 1 1.917 . . 1 . 1078 . . 150 VAL HB . 26580 1 1555 . 1 1 150 150 VAL HG11 H 1 0.632 . . 2 . 920 . . 150 VAL HG11 . 26580 1 1556 . 1 1 150 150 VAL HG12 H 1 0.632 . . 2 . 920 . . 150 VAL HG12 . 26580 1 1557 . 1 1 150 150 VAL HG13 H 1 0.632 . . 2 . 920 . . 150 VAL HG13 . 26580 1 1558 . 1 1 150 150 VAL HG21 H 1 0.680 . . 2 . 933 . . 150 VAL HG21 . 26580 1 1559 . 1 1 150 150 VAL HG22 H 1 0.680 . . 2 . 933 . . 150 VAL HG22 . 26580 1 1560 . 1 1 150 150 VAL HG23 H 1 0.680 . . 2 . 933 . . 150 VAL HG23 . 26580 1 1561 . 1 1 150 150 VAL C C 13 175.512 . . 1 . 616 . . 150 VAL C . 26580 1 1562 . 1 1 150 150 VAL CA C 13 61.633 . . 1 . 67 . . 150 VAL CA . 26580 1 1563 . 1 1 150 150 VAL CB C 13 31.404 . . 1 . 219 . . 150 VAL CB . 26580 1 1564 . 1 1 150 150 VAL CG1 C 13 20.330 . . 2 . 834 . . 150 VAL CG1 . 26580 1 1565 . 1 1 150 150 VAL CG2 C 13 20.985 . . 2 . 851 . . 150 VAL CG2 . 26580 1 1566 . 1 1 150 150 VAL N N 15 125.778 . . 1 . 66 . . 150 VAL N . 26580 1 1567 . 1 1 151 151 VAL H H 1 8.468 . . 1 . 571 . . 151 VAL H . 26580 1 1568 . 1 1 151 151 VAL HA H 1 4.432 . . 1 . 1277 . . 151 VAL HA . 26580 1 1569 . 1 1 151 151 VAL HB H 1 1.688 . . 1 . 1079 . . 151 VAL HB . 26580 1 1570 . 1 1 151 151 VAL HG11 H 1 0.509 . . 2 . 913 . . 151 VAL HG11 . 26580 1 1571 . 1 1 151 151 VAL HG12 H 1 0.509 . . 2 . 913 . . 151 VAL HG12 . 26580 1 1572 . 1 1 151 151 VAL HG13 H 1 0.509 . . 2 . 913 . . 151 VAL HG13 . 26580 1 1573 . 1 1 151 151 VAL HG21 H 1 0.641 . . 2 . 926 . . 151 VAL HG21 . 26580 1 1574 . 1 1 151 151 VAL HG22 H 1 0.641 . . 2 . 926 . . 151 VAL HG22 . 26580 1 1575 . 1 1 151 151 VAL HG23 H 1 0.641 . . 2 . 926 . . 151 VAL HG23 . 26580 1 1576 . 1 1 151 151 VAL C C 13 174.217 . . 1 . 759 . . 151 VAL C . 26580 1 1577 . 1 1 151 151 VAL CA C 13 59.335 . . 1 . 573 . . 151 VAL CA . 26580 1 1578 . 1 1 151 151 VAL CB C 13 35.002 . . 1 . 574 . . 151 VAL CB . 26580 1 1579 . 1 1 151 151 VAL CG1 C 13 19.259 . . 2 . 835 . . 151 VAL CG1 . 26580 1 1580 . 1 1 151 151 VAL CG2 C 13 20.825 . . 2 . 844 . . 151 VAL CG2 . 26580 1 1581 . 1 1 151 151 VAL N N 15 123.081 . . 1 . 572 . . 151 VAL N . 26580 1 1582 . 1 1 152 152 ALA H H 1 8.685 . . 1 . 68 . . 152 ALA H . 26580 1 1583 . 1 1 152 152 ALA HA H 1 4.519 . . 1 . 1278 . . 152 ALA HA . 26580 1 1584 . 1 1 152 152 ALA HB1 H 1 1.112 . . 1 . 1080 . . 152 ALA HB1 . 26580 1 1585 . 1 1 152 152 ALA HB2 H 1 1.112 . . 1 . 1080 . . 152 ALA HB2 . 26580 1 1586 . 1 1 152 152 ALA HB3 H 1 1.112 . . 1 . 1080 . . 152 ALA HB3 . 26580 1 1587 . 1 1 152 152 ALA C C 13 176.775 . . 1 . 617 . . 152 ALA C . 26580 1 1588 . 1 1 152 152 ALA CA C 13 50.560 . . 1 . 70 . . 152 ALA CA . 26580 1 1589 . 1 1 152 152 ALA CB C 13 19.918 . . 1 . 71 . . 152 ALA CB . 26580 1 1590 . 1 1 152 152 ALA N N 15 128.098 . . 1 . 69 . . 152 ALA N . 26580 1 1591 . 1 1 153 153 PHE H H 1 7.956 . . 1 . 793 . . 153 PHE H . 26580 1 1592 . 1 1 153 153 PHE HA H 1 4.636 . . 1 . 1032 . . 153 PHE HA . 26580 1 1593 . 1 1 153 153 PHE HB2 H 1 3.003 . . 1 . 1488 . . 153 PHE HB2 . 26580 1 1594 . 1 1 153 153 PHE HB3 H 1 3.003 . . 1 . 1729 . . 153 PHE HB3 . 26580 1 1595 . 1 1 153 153 PHE C C 13 175.217 . . 1 . 797 . . 153 PHE C . 26580 1 1596 . 1 1 153 153 PHE CA C 13 56.326 . . 1 . 795 . . 153 PHE CA . 26580 1 1597 . 1 1 153 153 PHE CB C 13 39.976 . . 1 . 796 . . 153 PHE CB . 26580 1 1598 . 1 1 153 153 PHE N N 15 119.721 . . 1 . 794 . . 153 PHE N . 26580 1 1599 . 1 1 154 154 GLY H H 1 8.482 . . 1 . 486 . . 154 GLY H . 26580 1 1600 . 1 1 154 154 GLY HA2 H 1 4.177 . . 1 . 1856 . . 154 GLY HA2 . 26580 1 1601 . 1 1 154 154 GLY HA3 H 1 4.177 . . 1 . 1901 . . 154 GLY HA3 . 26580 1 1602 . 1 1 154 154 GLY C C 13 172.254 . . 1 . 730 . . 154 GLY C . 26580 1 1603 . 1 1 154 154 GLY CA C 13 43.883 . . 1 . 488 . . 154 GLY CA . 26580 1 1604 . 1 1 154 154 GLY N N 15 110.381 . . 1 . 487 . . 154 GLY N . 26580 1 1605 . 1 1 156 156 ASP H H 1 8.457 . . 1 . 340 . . 156 ASP H . 26580 1 1606 . 1 1 156 156 ASP HA H 1 4.421 . . 1 . 1033 . . 156 ASP HA . 26580 1 1607 . 1 1 156 156 ASP HB2 H 1 2.466 . . 1 . 1548 . . 156 ASP HB2 . 26580 1 1608 . 1 1 156 156 ASP HB3 H 1 2.466 . . 1 . 1730 . . 156 ASP HB3 . 26580 1 1609 . 1 1 156 156 ASP C C 13 176.568 . . 1 . 691 . . 156 ASP C . 26580 1 1610 . 1 1 156 156 ASP CA C 13 54.380 . . 1 . 342 . . 156 ASP CA . 26580 1 1611 . 1 1 156 156 ASP CB C 13 39.836 . . 1 . 343 . . 156 ASP CB . 26580 1 1612 . 1 1 156 156 ASP N N 15 118.303 . . 1 . 341 . . 156 ASP N . 26580 1 1613 . 1 1 157 157 ASN H H 1 8.005 . . 1 . 383 . . 157 ASN H . 26580 1 1614 . 1 1 157 157 ASN HA H 1 4.753 . . 1 . 1034 . . 157 ASN HA . 26580 1 1615 . 1 1 157 157 ASN HB2 H 1 2.573 . . 1 . 1547 . . 157 ASN HB2 . 26580 1 1616 . 1 1 157 157 ASN HB3 H 1 2.573 . . 1 . 1731 . . 157 ASN HB3 . 26580 1 1617 . 1 1 157 157 ASN C C 13 175.221 . . 1 . 701 . . 157 ASN C . 26580 1 1618 . 1 1 157 157 ASN CA C 13 52.980 . . 1 . 386 . . 157 ASN CA . 26580 1 1619 . 1 1 157 157 ASN CB C 13 38.868 . . 1 . 385 . . 157 ASN CB . 26580 1 1620 . 1 1 157 157 ASN N N 15 119.039 . . 1 . 384 . . 157 ASN N . 26580 1 1621 . 1 1 158 158 GLU H H 1 7.963 . . 1 . 297 . . 158 GLU H . 26580 1 1622 . 1 1 158 158 GLU HA H 1 3.939 . . 1 . 1323 . . 158 GLU HA . 26580 1 1623 . 1 1 158 158 GLU HB2 H 1 1.946 . . 1 . 1489 . . 158 GLU HB2 . 26580 1 1624 . 1 1 158 158 GLU HB3 H 1 1.946 . . 1 . 1732 . . 158 GLU HB3 . 26580 1 1625 . 1 1 158 158 GLU HG2 H 1 2.160 . . 1 . 1508 . . 158 GLU HG2 . 26580 1 1626 . 1 1 158 158 GLU HG3 H 1 2.160 . . 1 . 1733 . . 158 GLU HG3 . 26580 1 1627 . 1 1 158 158 GLU C C 13 177.671 . . 1 . 671 . . 158 GLU C . 26580 1 1628 . 1 1 158 158 GLU CA C 13 58.879 . . 1 . 299 . . 158 GLU CA . 26580 1 1629 . 1 1 158 158 GLU CB C 13 29.176 . . 1 . 300 . . 158 GLU CB . 26580 1 1630 . 1 1 158 158 GLU CG C 13 35.782 . . 1 . 820 . . 158 GLU CG . 26580 1 1631 . 1 1 158 158 GLU N N 15 121.561 . . 1 . 298 . . 158 GLU N . 26580 1 1632 . 1 1 159 159 ALA H H 1 8.322 . . 1 . 159 . . 159 ALA H . 26580 1 1633 . 1 1 159 159 ALA HA H 1 3.995 . . 1 . 1324 . . 159 ALA HA . 26580 1 1634 . 1 1 159 159 ALA HB1 H 1 1.260 . . 1 . 1083 . . 159 ALA HB1 . 26580 1 1635 . 1 1 159 159 ALA HB2 H 1 1.260 . . 1 . 1083 . . 159 ALA HB2 . 26580 1 1636 . 1 1 159 159 ALA HB3 H 1 1.260 . . 1 . 1083 . . 159 ALA HB3 . 26580 1 1637 . 1 1 159 159 ALA C C 13 180.540 . . 1 . 643 . . 159 ALA C . 26580 1 1638 . 1 1 159 159 ALA CA C 13 54.443 . . 1 . 161 . . 159 ALA CA . 26580 1 1639 . 1 1 159 159 ALA CB C 13 17.591 . . 1 . 162 . . 159 ALA CB . 26580 1 1640 . 1 1 159 159 ALA N N 15 122.212 . . 1 . 160 . . 159 ALA N . 26580 1 1641 . 1 1 160 160 GLU H H 1 8.064 . . 1 . 549 . . 160 GLU H . 26580 1 1642 . 1 1 160 160 GLU HA H 1 3.897 . . 1 . 1325 . . 160 GLU HA . 26580 1 1643 . 1 1 160 160 GLU HB2 H 1 1.746 . . 1 . 1490 . . 160 GLU HB2 . 26580 1 1644 . 1 1 160 160 GLU HB3 H 1 1.746 . . 1 . 1734 . . 160 GLU HB3 . 26580 1 1645 . 1 1 160 160 GLU HG2 H 1 2.061 . . 1 . 1509 . . 160 GLU HG2 . 26580 1 1646 . 1 1 160 160 GLU HG3 H 1 2.061 . . 1 . 1735 . . 160 GLU HG3 . 26580 1 1647 . 1 1 160 160 GLU C C 13 178.375 . . 1 . 751 . . 160 GLU C . 26580 1 1648 . 1 1 160 160 GLU CA C 13 58.321 . . 1 . 551 . . 160 GLU CA . 26580 1 1649 . 1 1 160 160 GLU CB C 13 28.801 . . 1 . 552 . . 160 GLU CB . 26580 1 1650 . 1 1 160 160 GLU CG C 13 36.278 . . 1 . 821 . . 160 GLU CG . 26580 1 1651 . 1 1 160 160 GLU N N 15 119.768 . . 1 . 550 . . 160 GLU N . 26580 1 1652 . 1 1 161 161 TYR H H 1 7.930 . . 1 . 305 . . 161 TYR H . 26580 1 1653 . 1 1 161 161 TYR HA H 1 4.088 . . 1 . 1035 . . 161 TYR HA . 26580 1 1654 . 1 1 161 161 TYR HB2 H 1 2.868 . . 1 . 1491 . . 161 TYR HB2 . 26580 1 1655 . 1 1 161 161 TYR HB3 H 1 2.868 . . 1 . 1736 . . 161 TYR HB3 . 26580 1 1656 . 1 1 161 161 TYR C C 13 176.933 . . 1 . 673 . . 161 TYR C . 26580 1 1657 . 1 1 161 161 TYR CA C 13 59.887 . . 1 . 307 . . 161 TYR CA . 26580 1 1658 . 1 1 161 161 TYR CB C 13 38.070 . . 1 . 308 . . 161 TYR CB . 26580 1 1659 . 1 1 161 161 TYR N N 15 121.134 . . 1 . 306 . . 161 TYR N . 26580 1 1660 . 1 1 162 162 GLN H H 1 8.192 . . 1 . 391 . . 162 GLN H . 26580 1 1661 . 1 1 162 162 GLN HA H 1 3.700 . . 1 . 1275 . . 162 GLN HA . 26580 1 1662 . 1 1 162 162 GLN HB2 H 1 1.926 . . 1 . 1492 . . 162 GLN HB2 . 26580 1 1663 . 1 1 162 162 GLN HB3 H 1 1.926 . . 1 . 1737 . . 162 GLN HB3 . 26580 1 1664 . 1 1 162 162 GLN HG2 H 1 2.360 . . 1 . 1510 . . 162 GLN HG2 . 26580 1 1665 . 1 1 162 162 GLN HG3 H 1 2.360 . . 1 . 1738 . . 162 GLN HG3 . 26580 1 1666 . 1 1 162 162 GLN C C 13 178.421 . . 1 . 705 . . 162 GLN C . 26580 1 1667 . 1 1 162 162 GLN CA C 13 57.696 . . 1 . 393 . . 162 GLN CA . 26580 1 1668 . 1 1 162 162 GLN CB C 13 27.547 . . 1 . 394 . . 162 GLN CB . 26580 1 1669 . 1 1 162 162 GLN CG C 13 33.152 . . 1 . 822 . . 162 GLN CG . 26580 1 1670 . 1 1 162 162 GLN N N 15 117.843 . . 1 . 392 . . 162 GLN N . 26580 1 1671 . 1 1 163 163 ALA H H 1 7.670 . . 1 . 232 . . 163 ALA H . 26580 1 1672 . 1 1 163 163 ALA HA H 1 3.914 . . 1 . 1342 . . 163 ALA HA . 26580 1 1673 . 1 1 163 163 ALA HB1 H 1 1.318 . . 1 . 1343 . . 163 ALA HB1 . 26580 1 1674 . 1 1 163 163 ALA HB2 H 1 1.318 . . 1 . 1343 . . 163 ALA HB2 . 26580 1 1675 . 1 1 163 163 ALA HB3 H 1 1.318 . . 1 . 1343 . . 163 ALA HB3 . 26580 1 1676 . 1 1 163 163 ALA C C 13 179.251 . . 1 . 658 . . 163 ALA C . 26580 1 1677 . 1 1 163 163 ALA CA C 13 54.139 . . 1 . 235 . . 163 ALA CA . 26580 1 1678 . 1 1 163 163 ALA CB C 13 17.770 . . 1 . 234 . . 163 ALA CB . 26580 1 1679 . 1 1 163 163 ALA N N 15 121.851 . . 1 . 233 . . 163 ALA N . 26580 1 1680 . 1 1 164 164 LEU H H 1 7.591 . . 1 . 784 . . 164 LEU H . 26580 1 1681 . 1 1 164 164 LEU HA H 1 4.217 . . 1 . 1036 . . 164 LEU HA . 26580 1 1682 . 1 1 164 164 LEU HB2 H 1 1.561 . . 1 . 1546 . . 164 LEU HB2 . 26580 1 1683 . 1 1 164 164 LEU HB3 H 1 1.561 . . 1 . 1739 . . 164 LEU HB3 . 26580 1 1684 . 1 1 164 164 LEU HG H 1 1.491 . . 1 . 1222 . . 164 LEU HG . 26580 1 1685 . 1 1 164 164 LEU HD11 H 1 0.718 . . 2 . 958 . . 164 LEU HD11 . 26580 1 1686 . 1 1 164 164 LEU HD12 H 1 0.718 . . 2 . 958 . . 164 LEU HD12 . 26580 1 1687 . 1 1 164 164 LEU HD13 H 1 0.718 . . 2 . 958 . . 164 LEU HD13 . 26580 1 1688 . 1 1 164 164 LEU HD21 H 1 0.728 . . 2 . 974 . . 164 LEU HD21 . 26580 1 1689 . 1 1 164 164 LEU HD22 H 1 0.728 . . 2 . 974 . . 164 LEU HD22 . 26580 1 1690 . 1 1 164 164 LEU HD23 H 1 0.728 . . 2 . 974 . . 164 LEU HD23 . 26580 1 1691 . 1 1 164 164 LEU C C 13 178.661 . . 1 . 786 . . 164 LEU C . 26580 1 1692 . 1 1 164 164 LEU CA C 13 56.712 . . 1 . 787 . . 164 LEU CA . 26580 1 1693 . 1 1 164 164 LEU CB C 13 40.934 . . 1 . 788 . . 164 LEU CB . 26580 1 1694 . 1 1 164 164 LEU CD1 C 13 24.202 . . 2 . 888 . . 164 LEU CD1 . 26580 1 1695 . 1 1 164 164 LEU CD2 C 13 24.311 . . 2 . 986 . . 164 LEU CD2 . 26580 1 1696 . 1 1 164 164 LEU N N 15 120.534 . . 1 . 785 . . 164 LEU N . 26580 1 1697 . 1 1 165 165 LEU H H 1 7.653 . . 1 . 368 . . 165 LEU H . 26580 1 1698 . 1 1 165 165 LEU HA H 1 3.843 . . 1 . 1158 . . 165 LEU HA . 26580 1 1699 . 1 1 165 165 LEU HB2 H 1 1.487 . . 1 . 1544 . . 165 LEU HB2 . 26580 1 1700 . 1 1 165 165 LEU HB3 H 1 1.487 . . 1 . 1740 . . 165 LEU HB3 . 26580 1 1701 . 1 1 165 165 LEU HG H 1 1.253 . . 1 . 1220 . . 165 LEU HG . 26580 1 1702 . 1 1 165 165 LEU HD11 H 1 0.534 . . 2 . 960 . . 165 LEU HD11 . 26580 1 1703 . 1 1 165 165 LEU HD12 H 1 0.534 . . 2 . 960 . . 165 LEU HD12 . 26580 1 1704 . 1 1 165 165 LEU HD13 H 1 0.534 . . 2 . 960 . . 165 LEU HD13 . 26580 1 1705 . 1 1 165 165 LEU HD21 H 1 0.538 . . 2 . 987 . . 165 LEU HD21 . 26580 1 1706 . 1 1 165 165 LEU HD22 H 1 0.538 . . 2 . 987 . . 165 LEU HD22 . 26580 1 1707 . 1 1 165 165 LEU HD23 H 1 0.538 . . 2 . 987 . . 165 LEU HD23 . 26580 1 1708 . 1 1 165 165 LEU C C 13 178.607 . . 1 . 698 . . 165 LEU C . 26580 1 1709 . 1 1 165 165 LEU CA C 13 56.276 . . 1 . 370 . . 165 LEU CA . 26580 1 1710 . 1 1 165 165 LEU CB C 13 40.934 . . 1 . 371 . . 165 LEU CB . 26580 1 1711 . 1 1 165 165 LEU CD1 C 13 22.276 . . 2 . 877 . . 165 LEU CD1 . 26580 1 1712 . 1 1 165 165 LEU CD2 C 13 24.609 . . 2 . 907 . . 165 LEU CD2 . 26580 1 1713 . 1 1 165 165 LEU N N 15 118.835 . . 1 . 369 . . 165 LEU N . 26580 1 1714 . 1 1 166 166 ARG H H 1 7.576 . . 1 . 563 . . 166 ARG H . 26580 1 1715 . 1 1 166 166 ARG HA H 1 3.962 . . 1 . 1326 . . 166 ARG HA . 26580 1 1716 . 1 1 166 166 ARG HB2 H 1 1.715 . . 1 . 1587 . . 166 ARG HB2 . 26580 1 1717 . 1 1 166 166 ARG HB3 H 1 1.715 . . 1 . 1741 . . 166 ARG HB3 . 26580 1 1718 . 1 1 166 166 ARG HG2 H 1 1.482 . . 1 . 1588 . . 166 ARG HG2 . 26580 1 1719 . 1 1 166 166 ARG HG3 H 1 1.482 . . 1 . 1743 . . 166 ARG HG3 . 26580 1 1720 . 1 1 166 166 ARG HD2 H 1 3.052 . . 1 . 1522 . . 166 ARG HD2 . 26580 1 1721 . 1 1 166 166 ARG HD3 H 1 3.052 . . 1 . 1742 . . 166 ARG HD3 . 26580 1 1722 . 1 1 166 166 ARG C C 13 177.574 . . 1 . 757 . . 166 ARG C . 26580 1 1723 . 1 1 166 166 ARG CA C 13 57.646 . . 1 . 565 . . 166 ARG CA . 26580 1 1724 . 1 1 166 166 ARG CB C 13 29.785 . . 1 . 566 . . 166 ARG CB . 26580 1 1725 . 1 1 166 166 ARG CG C 13 27.116 . . 1 . 823 . . 166 ARG CG . 26580 1 1726 . 1 1 166 166 ARG CD C 13 43.178 . . 1 . 867 . . 166 ARG CD . 26580 1 1727 . 1 1 166 166 ARG N N 15 118.583 . . 1 . 564 . . 166 ARG N . 26580 1 1728 . 1 1 167 167 ASP H H 1 7.786 . . 1 . 348 . . 167 ASP H . 26580 1 1729 . 1 1 167 167 ASP HA H 1 4.409 . . 1 . 1329 . . 167 ASP HA . 26580 1 1730 . 1 1 167 167 ASP HB2 H 1 2.591 . . 1 . 1493 . . 167 ASP HB2 . 26580 1 1731 . 1 1 167 167 ASP HB3 H 1 2.591 . . 1 . 1744 . . 167 ASP HB3 . 26580 1 1732 . 1 1 167 167 ASP C C 13 177.510 . . 1 . 693 . . 167 ASP C . 26580 1 1733 . 1 1 167 167 ASP CA C 13 55.356 . . 1 . 350 . . 167 ASP CA . 26580 1 1734 . 1 1 167 167 ASP CB C 13 40.795 . . 1 . 351 . . 167 ASP CB . 26580 1 1735 . 1 1 167 167 ASP N N 15 119.466 . . 1 . 349 . . 167 ASP N . 26580 1 1736 . 1 1 168 168 ILE H H 1 7.744 . . 1 . 387 . . 168 ILE H . 26580 1 1737 . 1 1 168 168 ILE HA H 1 4.036 . . 1 . 1037 . . 168 ILE HA . 26580 1 1738 . 1 1 168 168 ILE HB H 1 1.549 . . 1 . 1219 . . 168 ILE HB . 26580 1 1739 . 1 1 168 168 ILE HG12 H 1 0.846 . . 1 . 1113 . . 168 ILE HG12 . 26580 1 1740 . 1 1 168 168 ILE HG21 H 1 0.347 . . 1 . 1099 . . 168 ILE HG21 . 26580 1 1741 . 1 1 168 168 ILE HG22 H 1 0.347 . . 1 . 1099 . . 168 ILE HG22 . 26580 1 1742 . 1 1 168 168 ILE HG23 H 1 0.347 . . 1 . 1099 . . 168 ILE HG23 . 26580 1 1743 . 1 1 168 168 ILE HD11 H 1 0.504 . . 1 . 943 . . 168 ILE HD11 . 26580 1 1744 . 1 1 168 168 ILE HD12 H 1 0.504 . . 1 . 943 . . 168 ILE HD12 . 26580 1 1745 . 1 1 168 168 ILE HD13 H 1 0.504 . . 1 . 943 . . 168 ILE HD13 . 26580 1 1746 . 1 1 168 168 ILE C C 13 176.704 . . 1 . 704 . . 168 ILE C . 26580 1 1747 . 1 1 168 168 ILE CA C 13 62.664 . . 1 . 389 . . 168 ILE CA . 26580 1 1748 . 1 1 168 168 ILE CB C 13 37.732 . . 1 . 390 . . 168 ILE CB . 26580 1 1749 . 1 1 168 168 ILE CG1 C 13 26.798 . . 1 . 1181 . . 168 ILE CG1 . 26580 1 1750 . 1 1 168 168 ILE CG2 C 13 16.591 . . 1 . 1173 . . 168 ILE CG2 . 26580 1 1751 . 1 1 168 168 ILE CD1 C 13 13.004 . . 1 . 878 . . 168 ILE CD1 . 26580 1 1752 . 1 1 168 168 ILE N N 15 118.693 . . 1 . 388 . . 168 ILE N . 26580 1 1753 . 1 1 169 169 TYR H H 1 7.751 . . 1 . 344 . . 169 TYR H . 26580 1 1754 . 1 1 169 169 TYR HA H 1 4.429 . . 1 . 1038 . . 169 TYR HA . 26580 1 1755 . 1 1 169 169 TYR HB2 H 1 3.029 . . 1 . 1494 . . 169 TYR HB2 . 26580 1 1756 . 1 1 169 169 TYR HB3 H 1 3.029 . . 1 . 1745 . . 169 TYR HB3 . 26580 1 1757 . 1 1 169 169 TYR C C 13 175.516 . . 1 . 692 . . 169 TYR C . 26580 1 1758 . 1 1 169 169 TYR CA C 13 57.640 . . 1 . 346 . . 169 TYR CA . 26580 1 1759 . 1 1 169 169 TYR CB C 13 37.784 . . 1 . 347 . . 169 TYR CB . 26580 1 1760 . 1 1 169 169 TYR N N 15 120.118 . . 1 . 345 . . 169 TYR N . 26580 1 1761 . 1 1 170 170 ALA H H 1 7.694 . . 1 . 1 . . 170 ALA H . 26580 1 1762 . 1 1 170 170 ALA HA H 1 4.187 . . 1 . 1039 . . 170 ALA HA . 26580 1 1763 . 1 1 170 170 ALA HB1 H 1 1.253 . . 1 . 1089 . . 170 ALA HB1 . 26580 1 1764 . 1 1 170 170 ALA HB2 H 1 1.253 . . 1 . 1089 . . 170 ALA HB2 . 26580 1 1765 . 1 1 170 170 ALA HB3 H 1 1.253 . . 1 . 1089 . . 170 ALA HB3 . 26580 1 1766 . 1 1 170 170 ALA C C 13 176.542 . . 1 . 597 . . 170 ALA C . 26580 1 1767 . 1 1 170 170 ALA CA C 13 51.960 . . 1 . 10 . . 170 ALA CA . 26580 1 1768 . 1 1 170 170 ALA CB C 13 18.515 . . 1 . 11 . . 170 ALA CB . 26580 1 1769 . 1 1 170 170 ALA N N 15 124.979 . . 1 . 2 . . 170 ALA N . 26580 1 1770 . 1 1 171 171 ARG H H 1 7.652 . . 1 . 3 . . 171 ARG H . 26580 1 1771 . 1 1 171 171 ARG C C 13 181.128 . . 1 . 598 . . 171 ARG C . 26580 1 1772 . 1 1 171 171 ARG CA C 13 57.034 . . 1 . 9 . . 171 ARG CA . 26580 1 1773 . 1 1 171 171 ARG CB C 13 30.942 . . 1 . 12 . . 171 ARG CB . 26580 1 1774 . 1 1 171 171 ARG N N 15 125.858 . . 1 . 4 . . 171 ARG N . 26580 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2 _Assigned_chem_shift_list.Entry_ID 26580 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $3 _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 'Origin xeasy file /Users/andrasboeszoermenyi/Desktop/M50_Paper/M50_4D_ccpnmr/M50_ILV_May2015.prot' _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 17 13C_ILV_HSQC 4 $M50_ILV isotropic 26580 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $CcpNmr_Analysis . . 26580 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 ILE HD11 H 1 0.646 . . 1 . 936 . . 6 ILE HD11 . 26580 2 2 . 1 1 6 6 ILE HD12 H 1 0.646 . . 1 . 936 . . 6 ILE HD12 . 26580 2 3 . 1 1 6 6 ILE HD13 H 1 0.646 . . 1 . 936 . . 6 ILE HD13 . 26580 2 4 . 1 1 6 6 ILE CD1 C 13 12.962 . . 1 . 868 . . 6 ILE CD1 . 26580 2 5 . 1 1 10 10 VAL HG11 H 1 0.535 . . 2 . 914 . . 10 VAL HG11 . 26580 2 6 . 1 1 10 10 VAL HG12 H 1 0.535 . . 2 . 914 . . 10 VAL HG12 . 26580 2 7 . 1 1 10 10 VAL HG13 H 1 0.535 . . 2 . 914 . . 10 VAL HG13 . 26580 2 8 . 1 1 10 10 VAL HG21 H 1 0.901 . . 2 . 927 . . 10 VAL HG21 . 26580 2 9 . 1 1 10 10 VAL HG22 H 1 0.901 . . 2 . 927 . . 10 VAL HG22 . 26580 2 10 . 1 1 10 10 VAL HG23 H 1 0.901 . . 2 . 927 . . 10 VAL HG23 . 26580 2 11 . 1 1 10 10 VAL CG1 C 13 20.718 . . 2 . 836 . . 10 VAL CG1 . 26580 2 12 . 1 1 10 10 VAL CG2 C 13 22.300 . . 2 . 845 . . 10 VAL CG2 . 26580 2 13 . 1 1 14 14 LEU HD11 H 1 -0.258 . . 2 . 944 . . 14 LEU HD11 . 26580 2 14 . 1 1 14 14 LEU HD12 H 1 -0.258 . . 2 . 944 . . 14 LEU HD12 . 26580 2 15 . 1 1 14 14 LEU HD13 H 1 -0.258 . . 2 . 944 . . 14 LEU HD13 . 26580 2 16 . 1 1 14 14 LEU HD21 H 1 -0.174 . . 2 . 963 . . 14 LEU HD21 . 26580 2 17 . 1 1 14 14 LEU HD22 H 1 -0.174 . . 2 . 963 . . 14 LEU HD22 . 26580 2 18 . 1 1 14 14 LEU HD23 H 1 -0.174 . . 2 . 963 . . 14 LEU HD23 . 26580 2 19 . 1 1 14 14 LEU CD1 C 13 22.586 . . 2 . 977 . . 14 LEU CD1 . 26580 2 20 . 1 1 14 14 LEU CD2 C 13 25.219 . . 2 . 978 . . 14 LEU CD2 . 26580 2 21 . 1 1 15 15 ILE HD11 H 1 0.653 . . 1 . 937 . . 15 ILE HD11 . 26580 2 22 . 1 1 15 15 ILE HD12 H 1 0.653 . . 1 . 937 . . 15 ILE HD12 . 26580 2 23 . 1 1 15 15 ILE HD13 H 1 0.653 . . 1 . 937 . . 15 ILE HD13 . 26580 2 24 . 1 1 15 15 ILE CD1 C 13 12.779 . . 1 . 879 . . 15 ILE CD1 . 26580 2 25 . 1 1 21 21 ILE HD11 H 1 0.498 . . 1 . 938 . . 21 ILE HD11 . 26580 2 26 . 1 1 21 21 ILE HD12 H 1 0.498 . . 1 . 938 . . 21 ILE HD12 . 26580 2 27 . 1 1 21 21 ILE HD13 H 1 0.498 . . 1 . 938 . . 21 ILE HD13 . 26580 2 28 . 1 1 21 21 ILE CD1 C 13 13.180 . . 1 . 889 . . 21 ILE CD1 . 26580 2 29 . 1 1 22 22 LEU HD11 H 1 0.175 . . 2 . 945 . . 22 LEU HD11 . 26580 2 30 . 1 1 22 22 LEU HD12 H 1 0.175 . . 2 . 945 . . 22 LEU HD12 . 26580 2 31 . 1 1 22 22 LEU HD13 H 1 0.175 . . 2 . 945 . . 22 LEU HD13 . 26580 2 32 . 1 1 22 22 LEU HD21 H 1 0.471 . . 2 . 964 . . 22 LEU HD21 . 26580 2 33 . 1 1 22 22 LEU HD22 H 1 0.471 . . 2 . 964 . . 22 LEU HD22 . 26580 2 34 . 1 1 22 22 LEU HD23 H 1 0.471 . . 2 . 964 . . 22 LEU HD23 . 26580 2 35 . 1 1 22 22 LEU CD1 C 13 25.590 . . 2 . 891 . . 22 LEU CD1 . 26580 2 36 . 1 1 22 22 LEU CD2 C 13 20.934 . . 2 . 895 . . 22 LEU CD2 . 26580 2 37 . 1 1 24 24 LEU HD11 H 1 0.610 . . 2 . 939 . . 24 LEU HD11 . 26580 2 38 . 1 1 24 24 LEU HD12 H 1 0.610 . . 2 . 939 . . 24 LEU HD12 . 26580 2 39 . 1 1 24 24 LEU HD13 H 1 0.610 . . 2 . 939 . . 24 LEU HD13 . 26580 2 40 . 1 1 24 24 LEU HD21 H 1 0.675 . . 2 . 965 . . 24 LEU HD21 . 26580 2 41 . 1 1 24 24 LEU HD22 H 1 0.675 . . 2 . 965 . . 24 LEU HD22 . 26580 2 42 . 1 1 24 24 LEU HD23 H 1 0.675 . . 2 . 965 . . 24 LEU HD23 . 26580 2 43 . 1 1 24 24 LEU CD1 C 13 27.942 . . 2 . 880 . . 24 LEU CD1 . 26580 2 44 . 1 1 24 24 LEU CD2 C 13 22.151 . . 2 . 896 . . 24 LEU CD2 . 26580 2 45 . 1 1 29 29 LEU HD11 H 1 0.636 . . 2 . 980 . . 29 LEU HD11 . 26580 2 46 . 1 1 29 29 LEU HD12 H 1 0.636 . . 2 . 980 . . 29 LEU HD12 . 26580 2 47 . 1 1 29 29 LEU HD13 H 1 0.636 . . 2 . 980 . . 29 LEU HD13 . 26580 2 48 . 1 1 29 29 LEU HD21 H 1 0.679 . . 2 . 966 . . 29 LEU HD21 . 26580 2 49 . 1 1 29 29 LEU HD22 H 1 0.679 . . 2 . 966 . . 29 LEU HD22 . 26580 2 50 . 1 1 29 29 LEU HD23 H 1 0.679 . . 2 . 966 . . 29 LEU HD23 . 26580 2 51 . 1 1 29 29 LEU CD1 C 13 26.990 . . 2 . 881 . . 29 LEU CD1 . 26580 2 52 . 1 1 29 29 LEU CD2 C 13 23.519 . . 2 . 979 . . 29 LEU CD2 . 26580 2 53 . 1 1 31 31 ILE HD11 H 1 0.710 . . 1 . 946 . . 31 ILE HD11 . 26580 2 54 . 1 1 31 31 ILE HD12 H 1 0.710 . . 1 . 946 . . 31 ILE HD12 . 26580 2 55 . 1 1 31 31 ILE HD13 H 1 0.710 . . 1 . 946 . . 31 ILE HD13 . 26580 2 56 . 1 1 31 31 ILE CD1 C 13 13.834 . . 1 . 869 . . 31 ILE CD1 . 26580 2 57 . 1 1 36 36 LEU HD11 H 1 0.701 . . 2 . 983 . . 36 LEU HD11 . 26580 2 58 . 1 1 36 36 LEU HD12 H 1 0.701 . . 2 . 983 . . 36 LEU HD12 . 26580 2 59 . 1 1 36 36 LEU HD13 H 1 0.701 . . 2 . 983 . . 36 LEU HD13 . 26580 2 60 . 1 1 36 36 LEU HD21 H 1 0.582 . . 2 . 982 . . 36 LEU HD21 . 26580 2 61 . 1 1 36 36 LEU HD22 H 1 0.582 . . 2 . 982 . . 36 LEU HD22 . 26580 2 62 . 1 1 36 36 LEU HD23 H 1 0.582 . . 2 . 982 . . 36 LEU HD23 . 26580 2 63 . 1 1 36 36 LEU CD1 C 13 23.104 . . 2 . 892 . . 36 LEU CD1 . 26580 2 64 . 1 1 36 36 LEU CD2 C 13 24.598 . . 2 . 897 . . 36 LEU CD2 . 26580 2 65 . 1 1 37 37 ILE HD11 H 1 0.692 . . 1 . 976 . . 37 ILE HD11 . 26580 2 66 . 1 1 37 37 ILE HD12 H 1 0.692 . . 1 . 976 . . 37 ILE HD12 . 26580 2 67 . 1 1 37 37 ILE HD13 H 1 0.692 . . 1 . 976 . . 37 ILE HD13 . 26580 2 68 . 1 1 37 37 ILE CD1 C 13 13.196 . . 1 . 882 . . 37 ILE CD1 . 26580 2 69 . 1 1 45 45 LEU HD11 H 1 0.885 . . 2 . 940 . . 45 LEU HD11 . 26580 2 70 . 1 1 45 45 LEU HD12 H 1 0.885 . . 2 . 940 . . 45 LEU HD12 . 26580 2 71 . 1 1 45 45 LEU HD13 H 1 0.885 . . 2 . 940 . . 45 LEU HD13 . 26580 2 72 . 1 1 45 45 LEU HD21 H 1 0.714 . . 2 . 961 . . 45 LEU HD21 . 26580 2 73 . 1 1 45 45 LEU HD22 H 1 0.714 . . 2 . 961 . . 45 LEU HD22 . 26580 2 74 . 1 1 45 45 LEU HD23 H 1 0.714 . . 2 . 961 . . 45 LEU HD23 . 26580 2 75 . 1 1 45 45 LEU CD1 C 13 24.372 . . 2 . 883 . . 45 LEU CD1 . 26580 2 76 . 1 1 45 45 LEU CD2 C 13 26.476 . . 2 . 898 . . 45 LEU CD2 . 26580 2 77 . 1 1 50 50 LEU HD11 H 1 0.441 . . 2 . 947 . . 50 LEU HD11 . 26580 2 78 . 1 1 50 50 LEU HD12 H 1 0.441 . . 2 . 947 . . 50 LEU HD12 . 26580 2 79 . 1 1 50 50 LEU HD13 H 1 0.441 . . 2 . 947 . . 50 LEU HD13 . 26580 2 80 . 1 1 50 50 LEU HD21 H 1 -0.155 . . 2 . 967 . . 50 LEU HD21 . 26580 2 81 . 1 1 50 50 LEU HD22 H 1 -0.155 . . 2 . 967 . . 50 LEU HD22 . 26580 2 82 . 1 1 50 50 LEU HD23 H 1 -0.155 . . 2 . 967 . . 50 LEU HD23 . 26580 2 83 . 1 1 50 50 LEU CD1 C 13 25.696 . . 2 . 981 . . 50 LEU CD1 . 26580 2 84 . 1 1 50 50 LEU CD2 C 13 19.004 . . 2 . 899 . . 50 LEU CD2 . 26580 2 85 . 1 1 54 54 ILE HD11 H 1 0.582 . . 1 . 941 . . 54 ILE HD11 . 26580 2 86 . 1 1 54 54 ILE HD12 H 1 0.582 . . 1 . 941 . . 54 ILE HD12 . 26580 2 87 . 1 1 54 54 ILE HD13 H 1 0.582 . . 1 . 941 . . 54 ILE HD13 . 26580 2 88 . 1 1 54 54 ILE CD1 C 13 10.197 . . 1 . 870 . . 54 ILE CD1 . 26580 2 89 . 1 1 55 55 VAL HG11 H 1 0.736 . . 2 . 910 . . 55 VAL HG11 . 26580 2 90 . 1 1 55 55 VAL HG12 H 1 0.736 . . 2 . 910 . . 55 VAL HG12 . 26580 2 91 . 1 1 55 55 VAL HG13 H 1 0.736 . . 2 . 910 . . 55 VAL HG13 . 26580 2 92 . 1 1 55 55 VAL HG21 H 1 0.582 . . 2 . 923 . . 55 VAL HG21 . 26580 2 93 . 1 1 55 55 VAL HG22 H 1 0.582 . . 2 . 923 . . 55 VAL HG22 . 26580 2 94 . 1 1 55 55 VAL HG23 H 1 0.582 . . 2 . 923 . . 55 VAL HG23 . 26580 2 95 . 1 1 55 55 VAL CG1 C 13 20.620 . . 2 . 826 . . 55 VAL CG1 . 26580 2 96 . 1 1 55 55 VAL CG2 C 13 22.400 . . 2 . 839 . . 55 VAL CG2 . 26580 2 97 . 1 1 58 58 VAL HG11 H 1 0.830 . . 2 . 915 . . 58 VAL HG11 . 26580 2 98 . 1 1 58 58 VAL HG12 H 1 0.830 . . 2 . 915 . . 58 VAL HG12 . 26580 2 99 . 1 1 58 58 VAL HG13 H 1 0.830 . . 2 . 915 . . 58 VAL HG13 . 26580 2 100 . 1 1 58 58 VAL HG21 H 1 0.950 . . 2 . 928 . . 58 VAL HG21 . 26580 2 101 . 1 1 58 58 VAL HG22 H 1 0.950 . . 2 . 928 . . 58 VAL HG22 . 26580 2 102 . 1 1 58 58 VAL HG23 H 1 0.950 . . 2 . 928 . . 58 VAL HG23 . 26580 2 103 . 1 1 58 58 VAL CG1 C 13 20.898 . . 2 . 837 . . 58 VAL CG1 . 26580 2 104 . 1 1 58 58 VAL CG2 C 13 23.421 . . 2 . 846 . . 58 VAL CG2 . 26580 2 105 . 1 1 61 61 LEU HD11 H 1 1.153 . . 2 . 959 . . 61 LEU HD11 . 26580 2 106 . 1 1 61 61 LEU HD12 H 1 1.153 . . 2 . 959 . . 61 LEU HD12 . 26580 2 107 . 1 1 61 61 LEU HD13 H 1 1.153 . . 2 . 959 . . 61 LEU HD13 . 26580 2 108 . 1 1 61 61 LEU HD21 H 1 0.670 . . 2 . 975 . . 61 LEU HD21 . 26580 2 109 . 1 1 61 61 LEU HD22 H 1 0.670 . . 2 . 975 . . 61 LEU HD22 . 26580 2 110 . 1 1 61 61 LEU HD23 H 1 0.670 . . 2 . 975 . . 61 LEU HD23 . 26580 2 111 . 1 1 61 61 LEU CD1 C 13 24.253 . . 2 . 884 . . 61 LEU CD1 . 26580 2 112 . 1 1 61 61 LEU CD2 C 13 26.233 . . 2 . 900 . . 61 LEU CD2 . 26580 2 113 . 1 1 62 62 LEU HD11 H 1 -0.535 . . 2 . 948 . . 62 LEU HD11 . 26580 2 114 . 1 1 62 62 LEU HD12 H 1 -0.535 . . 2 . 948 . . 62 LEU HD12 . 26580 2 115 . 1 1 62 62 LEU HD13 H 1 -0.535 . . 2 . 948 . . 62 LEU HD13 . 26580 2 116 . 1 1 62 62 LEU HD21 H 1 0.172 . . 2 . 968 . . 62 LEU HD21 . 26580 2 117 . 1 1 62 62 LEU HD22 H 1 0.172 . . 2 . 968 . . 62 LEU HD22 . 26580 2 118 . 1 1 62 62 LEU HD23 H 1 0.172 . . 2 . 968 . . 62 LEU HD23 . 26580 2 119 . 1 1 62 62 LEU CD1 C 13 22.144 . . 2 . 885 . . 62 LEU CD1 . 26580 2 120 . 1 1 62 62 LEU CD2 C 13 26.115 . . 2 . 901 . . 62 LEU CD2 . 26580 2 121 . 1 1 76 76 VAL HG11 H 1 0.707 . . 2 . 916 . . 76 VAL HG11 . 26580 2 122 . 1 1 76 76 VAL HG12 H 1 0.707 . . 2 . 916 . . 76 VAL HG12 . 26580 2 123 . 1 1 76 76 VAL HG13 H 1 0.707 . . 2 . 916 . . 76 VAL HG13 . 26580 2 124 . 1 1 76 76 VAL HG21 H 1 0.753 . . 2 . 929 . . 76 VAL HG21 . 26580 2 125 . 1 1 76 76 VAL HG22 H 1 0.753 . . 2 . 929 . . 76 VAL HG22 . 26580 2 126 . 1 1 76 76 VAL HG23 H 1 0.753 . . 2 . 929 . . 76 VAL HG23 . 26580 2 127 . 1 1 76 76 VAL CG1 C 13 21.879 . . 2 . 827 . . 76 VAL CG1 . 26580 2 128 . 1 1 76 76 VAL CG2 C 13 23.120 . . 2 . 840 . . 76 VAL CG2 . 26580 2 129 . 1 1 84 84 VAL HG11 H 1 0.674 . . 2 . 917 . . 84 VAL HG11 . 26580 2 130 . 1 1 84 84 VAL HG12 H 1 0.674 . . 2 . 917 . . 84 VAL HG12 . 26580 2 131 . 1 1 84 84 VAL HG13 H 1 0.674 . . 2 . 917 . . 84 VAL HG13 . 26580 2 132 . 1 1 84 84 VAL HG21 H 1 -0.124 . . 2 . 930 . . 84 VAL HG21 . 26580 2 133 . 1 1 84 84 VAL HG22 H 1 -0.124 . . 2 . 930 . . 84 VAL HG22 . 26580 2 134 . 1 1 84 84 VAL HG23 H 1 -0.124 . . 2 . 930 . . 84 VAL HG23 . 26580 2 135 . 1 1 84 84 VAL CG1 C 13 22.053 . . 2 . 828 . . 84 VAL CG1 . 26580 2 136 . 1 1 84 84 VAL CG2 C 13 22.471 . . 2 . 847 . . 84 VAL CG2 . 26580 2 137 . 1 1 86 86 LEU HD11 H 1 -0.503 . . 2 . 949 . . 86 LEU HD11 . 26580 2 138 . 1 1 86 86 LEU HD12 H 1 -0.503 . . 2 . 949 . . 86 LEU HD12 . 26580 2 139 . 1 1 86 86 LEU HD13 H 1 -0.503 . . 2 . 949 . . 86 LEU HD13 . 26580 2 140 . 1 1 86 86 LEU HD21 H 1 -0.197 . . 2 . 969 . . 86 LEU HD21 . 26580 2 141 . 1 1 86 86 LEU HD22 H 1 -0.197 . . 2 . 969 . . 86 LEU HD22 . 26580 2 142 . 1 1 86 86 LEU HD23 H 1 -0.197 . . 2 . 969 . . 86 LEU HD23 . 26580 2 143 . 1 1 86 86 LEU CD1 C 13 22.171 . . 2 . 893 . . 86 LEU CD1 . 26580 2 144 . 1 1 86 86 LEU CD2 C 13 25.348 . . 2 . 902 . . 86 LEU CD2 . 26580 2 145 . 1 1 90 90 ILE HD11 H 1 0.720 . . 1 . 950 . . 90 ILE HD11 . 26580 2 146 . 1 1 90 90 ILE HD12 H 1 0.720 . . 1 . 950 . . 90 ILE HD12 . 26580 2 147 . 1 1 90 90 ILE HD13 H 1 0.720 . . 1 . 950 . . 90 ILE HD13 . 26580 2 148 . 1 1 90 90 ILE CD1 C 13 13.042 . . 1 . 871 . . 90 ILE CD1 . 26580 2 149 . 1 1 96 96 LEU HD11 H 1 0.381 . . 2 . 942 . . 96 LEU HD11 . 26580 2 150 . 1 1 96 96 LEU HD12 H 1 0.381 . . 2 . 942 . . 96 LEU HD12 . 26580 2 151 . 1 1 96 96 LEU HD13 H 1 0.381 . . 2 . 942 . . 96 LEU HD13 . 26580 2 152 . 1 1 96 96 LEU HD21 H 1 -0.091 . . 2 . 962 . . 96 LEU HD21 . 26580 2 153 . 1 1 96 96 LEU HD22 H 1 -0.091 . . 2 . 962 . . 96 LEU HD22 . 26580 2 154 . 1 1 96 96 LEU HD23 H 1 -0.091 . . 2 . 962 . . 96 LEU HD23 . 26580 2 155 . 1 1 96 96 LEU CD1 C 13 21.558 . . 2 . 886 . . 96 LEU CD1 . 26580 2 156 . 1 1 96 96 LEU CD2 C 13 25.521 . . 2 . 903 . . 96 LEU CD2 . 26580 2 157 . 1 1 99 99 LEU HD11 H 1 0.757 . . 2 . 951 . . 99 LEU HD11 . 26580 2 158 . 1 1 99 99 LEU HD12 H 1 0.757 . . 2 . 951 . . 99 LEU HD12 . 26580 2 159 . 1 1 99 99 LEU HD13 H 1 0.757 . . 2 . 951 . . 99 LEU HD13 . 26580 2 160 . 1 1 99 99 LEU HD21 H 1 0.704 . . 2 . 970 . . 99 LEU HD21 . 26580 2 161 . 1 1 99 99 LEU HD22 H 1 0.704 . . 2 . 970 . . 99 LEU HD22 . 26580 2 162 . 1 1 99 99 LEU HD23 H 1 0.704 . . 2 . 970 . . 99 LEU HD23 . 26580 2 163 . 1 1 99 99 LEU CD1 C 13 23.223 . . 2 . 872 . . 99 LEU CD1 . 26580 2 164 . 1 1 99 99 LEU CD2 C 13 26.420 . . 2 . 904 . . 99 LEU CD2 . 26580 2 165 . 1 1 102 102 VAL HG11 H 1 0.800 . . 2 . 996 . . 102 VAL HG11 . 26580 2 166 . 1 1 102 102 VAL HG12 H 1 0.800 . . 2 . 996 . . 102 VAL HG12 . 26580 2 167 . 1 1 102 102 VAL HG13 H 1 0.800 . . 2 . 996 . . 102 VAL HG13 . 26580 2 168 . 1 1 102 102 VAL HG21 H 1 0.789 . . 2 . 1444 . . 102 VAL HG21 . 26580 2 169 . 1 1 102 102 VAL HG22 H 1 0.789 . . 2 . 1444 . . 102 VAL HG22 . 26580 2 170 . 1 1 102 102 VAL HG23 H 1 0.789 . . 2 . 1444 . . 102 VAL HG23 . 26580 2 171 . 1 1 102 102 VAL CG1 C 13 21.419 . . 2 . 1458 . . 102 VAL CG1 . 26580 2 172 . 1 1 102 102 VAL CG2 C 13 20.701 . . 2 . 1459 . . 102 VAL CG2 . 26580 2 173 . 1 1 108 108 LEU HD11 H 1 0.561 . . 2 . 952 . . 108 LEU HD11 . 26580 2 174 . 1 1 108 108 LEU HD12 H 1 0.561 . . 2 . 952 . . 108 LEU HD12 . 26580 2 175 . 1 1 108 108 LEU HD13 H 1 0.561 . . 2 . 952 . . 108 LEU HD13 . 26580 2 176 . 1 1 108 108 LEU HD21 H 1 0.566 . . 2 . 971 . . 108 LEU HD21 . 26580 2 177 . 1 1 108 108 LEU HD22 H 1 0.566 . . 2 . 971 . . 108 LEU HD22 . 26580 2 178 . 1 1 108 108 LEU HD23 H 1 0.566 . . 2 . 971 . . 108 LEU HD23 . 26580 2 179 . 1 1 108 108 LEU CD1 C 13 24.842 . . 2 . 894 . . 108 LEU CD1 . 26580 2 180 . 1 1 108 108 LEU CD2 C 13 25.495 . . 2 . 908 . . 108 LEU CD2 . 26580 2 181 . 1 1 110 110 VAL HG11 H 1 0.757 . . 2 . 911 . . 110 VAL HG11 . 26580 2 182 . 1 1 110 110 VAL HG12 H 1 0.757 . . 2 . 911 . . 110 VAL HG12 . 26580 2 183 . 1 1 110 110 VAL HG13 H 1 0.757 . . 2 . 911 . . 110 VAL HG13 . 26580 2 184 . 1 1 110 110 VAL HG21 H 1 0.916 . . 2 . 924 . . 110 VAL HG21 . 26580 2 185 . 1 1 110 110 VAL HG22 H 1 0.916 . . 2 . 924 . . 110 VAL HG22 . 26580 2 186 . 1 1 110 110 VAL HG23 H 1 0.916 . . 2 . 924 . . 110 VAL HG23 . 26580 2 187 . 1 1 110 110 VAL CG1 C 13 20.249 . . 2 . 838 . . 110 VAL CG1 . 26580 2 188 . 1 1 110 110 VAL CG2 C 13 22.294 . . 2 . 848 . . 110 VAL CG2 . 26580 2 189 . 1 1 114 114 LEU HD11 H 1 0.586 . . 2 . 953 . . 114 LEU HD11 . 26580 2 190 . 1 1 114 114 LEU HD12 H 1 0.586 . . 2 . 953 . . 114 LEU HD12 . 26580 2 191 . 1 1 114 114 LEU HD13 H 1 0.586 . . 2 . 953 . . 114 LEU HD13 . 26580 2 192 . 1 1 114 114 LEU HD21 H 1 0.548 . . 2 . 972 . . 114 LEU HD21 . 26580 2 193 . 1 1 114 114 LEU HD22 H 1 0.548 . . 2 . 972 . . 114 LEU HD22 . 26580 2 194 . 1 1 114 114 LEU HD23 H 1 0.548 . . 2 . 972 . . 114 LEU HD23 . 26580 2 195 . 1 1 114 114 LEU CD1 C 13 25.302 . . 2 . 873 . . 114 LEU CD1 . 26580 2 196 . 1 1 114 114 LEU CD2 C 13 26.050 . . 2 . 905 . . 114 LEU CD2 . 26580 2 197 . 1 1 115 115 VAL HG11 H 1 0.750 . . 2 . 912 . . 115 VAL HG11 . 26580 2 198 . 1 1 115 115 VAL HG12 H 1 0.750 . . 2 . 912 . . 115 VAL HG12 . 26580 2 199 . 1 1 115 115 VAL HG13 H 1 0.750 . . 2 . 912 . . 115 VAL HG13 . 26580 2 200 . 1 1 115 115 VAL HG21 H 1 0.821 . . 2 . 925 . . 115 VAL HG21 . 26580 2 201 . 1 1 115 115 VAL HG22 H 1 0.821 . . 2 . 925 . . 115 VAL HG22 . 26580 2 202 . 1 1 115 115 VAL HG23 H 1 0.821 . . 2 . 925 . . 115 VAL HG23 . 26580 2 203 . 1 1 115 115 VAL CG1 C 13 21.736 . . 2 . 829 . . 115 VAL CG1 . 26580 2 204 . 1 1 115 115 VAL CG2 C 13 24.180 . . 2 . 849 . . 115 VAL CG2 . 26580 2 205 . 1 1 116 116 VAL HG11 H 1 0.765 . . 2 . 918 . . 116 VAL HG11 . 26580 2 206 . 1 1 116 116 VAL HG12 H 1 0.765 . . 2 . 918 . . 116 VAL HG12 . 26580 2 207 . 1 1 116 116 VAL HG13 H 1 0.765 . . 2 . 918 . . 116 VAL HG13 . 26580 2 208 . 1 1 116 116 VAL HG21 H 1 0.783 . . 2 . 931 . . 116 VAL HG21 . 26580 2 209 . 1 1 116 116 VAL HG22 H 1 0.783 . . 2 . 931 . . 116 VAL HG22 . 26580 2 210 . 1 1 116 116 VAL HG23 H 1 0.783 . . 2 . 931 . . 116 VAL HG23 . 26580 2 211 . 1 1 116 116 VAL CG1 C 13 21.236 . . 2 . 830 . . 116 VAL CG1 . 26580 2 212 . 1 1 116 116 VAL CG2 C 13 22.241 . . 2 . 841 . . 116 VAL CG2 . 26580 2 213 . 1 1 118 118 LEU HD11 H 1 0.733 . . 2 . 954 . . 118 LEU HD11 . 26580 2 214 . 1 1 118 118 LEU HD12 H 1 0.733 . . 2 . 954 . . 118 LEU HD12 . 26580 2 215 . 1 1 118 118 LEU HD13 H 1 0.733 . . 2 . 954 . . 118 LEU HD13 . 26580 2 216 . 1 1 118 118 LEU HD21 H 1 0.743 . . 2 . 973 . . 118 LEU HD21 . 26580 2 217 . 1 1 118 118 LEU HD22 H 1 0.743 . . 2 . 973 . . 118 LEU HD22 . 26580 2 218 . 1 1 118 118 LEU HD23 H 1 0.743 . . 2 . 973 . . 118 LEU HD23 . 26580 2 219 . 1 1 118 118 LEU CD1 C 13 24.370 . . 2 . 874 . . 118 LEU CD1 . 26580 2 220 . 1 1 118 118 LEU CD2 C 13 24.682 . . 2 . 906 . . 118 LEU CD2 . 26580 2 221 . 1 1 121 121 ILE HD11 H 1 0.423 . . 1 . 955 . . 121 ILE HD11 . 26580 2 222 . 1 1 121 121 ILE HD12 H 1 0.423 . . 1 . 955 . . 121 ILE HD12 . 26580 2 223 . 1 1 121 121 ILE HD13 H 1 0.423 . . 1 . 955 . . 121 ILE HD13 . 26580 2 224 . 1 1 121 121 ILE CD1 C 13 11.425 . . 1 . 890 . . 121 ILE CD1 . 26580 2 225 . 1 1 124 124 ILE HD11 H 1 0.517 . . 1 . 956 . . 124 ILE HD11 . 26580 2 226 . 1 1 124 124 ILE HD12 H 1 0.517 . . 1 . 956 . . 124 ILE HD12 . 26580 2 227 . 1 1 124 124 ILE HD13 H 1 0.517 . . 1 . 956 . . 124 ILE HD13 . 26580 2 228 . 1 1 124 124 ILE CD1 C 13 14.223 . . 1 . 875 . . 124 ILE CD1 . 26580 2 229 . 1 1 131 131 VAL HG11 H 1 0.747 . . 2 . 921 . . 131 VAL HG11 . 26580 2 230 . 1 1 131 131 VAL HG12 H 1 0.747 . . 2 . 921 . . 131 VAL HG12 . 26580 2 231 . 1 1 131 131 VAL HG13 H 1 0.747 . . 2 . 921 . . 131 VAL HG13 . 26580 2 232 . 1 1 131 131 VAL HG21 H 1 0.722 . . 2 . 934 . . 131 VAL HG21 . 26580 2 233 . 1 1 131 131 VAL HG22 H 1 0.722 . . 2 . 934 . . 131 VAL HG22 . 26580 2 234 . 1 1 131 131 VAL HG23 H 1 0.722 . . 2 . 934 . . 131 VAL HG23 . 26580 2 235 . 1 1 131 131 VAL CG1 C 13 21.219 . . 2 . 831 . . 131 VAL CG1 . 26580 2 236 . 1 1 131 131 VAL CG2 C 13 20.905 . . 2 . 850 . . 131 VAL CG2 . 26580 2 237 . 1 1 132 132 LEU HD11 H 1 0.575 . . 2 . 984 . . 132 LEU HD11 . 26580 2 238 . 1 1 132 132 LEU HD12 H 1 0.575 . . 2 . 984 . . 132 LEU HD12 . 26580 2 239 . 1 1 132 132 LEU HD13 H 1 0.575 . . 2 . 984 . . 132 LEU HD13 . 26580 2 240 . 1 1 132 132 LEU HD21 H 1 0.669 . . 2 . 985 . . 132 LEU HD21 . 26580 2 241 . 1 1 132 132 LEU HD22 H 1 0.669 . . 2 . 985 . . 132 LEU HD22 . 26580 2 242 . 1 1 132 132 LEU HD23 H 1 0.669 . . 2 . 985 . . 132 LEU HD23 . 26580 2 243 . 1 1 132 132 LEU CD1 C 13 22.816 . . 2 . 887 . . 132 LEU CD1 . 26580 2 244 . 1 1 132 132 LEU CD2 C 13 25.639 . . 2 . 909 . . 132 LEU CD2 . 26580 2 245 . 1 1 136 136 VAL HG11 H 1 0.694 . . 2 . 919 . . 136 VAL HG11 . 26580 2 246 . 1 1 136 136 VAL HG12 H 1 0.694 . . 2 . 919 . . 136 VAL HG12 . 26580 2 247 . 1 1 136 136 VAL HG13 H 1 0.694 . . 2 . 919 . . 136 VAL HG13 . 26580 2 248 . 1 1 136 136 VAL HG21 H 1 0.672 . . 2 . 932 . . 136 VAL HG21 . 26580 2 249 . 1 1 136 136 VAL HG22 H 1 0.672 . . 2 . 932 . . 136 VAL HG22 . 26580 2 250 . 1 1 136 136 VAL HG23 H 1 0.672 . . 2 . 932 . . 136 VAL HG23 . 26580 2 251 . 1 1 136 136 VAL CG1 C 13 20.230 . . 2 . 832 . . 136 VAL CG1 . 26580 2 252 . 1 1 136 136 VAL CG2 C 13 21.320 . . 2 . 842 . . 136 VAL CG2 . 26580 2 253 . 1 1 137 137 VAL HG11 H 1 0.775 . . 2 . 922 . . 137 VAL HG11 . 26580 2 254 . 1 1 137 137 VAL HG12 H 1 0.775 . . 2 . 922 . . 137 VAL HG12 . 26580 2 255 . 1 1 137 137 VAL HG13 H 1 0.775 . . 2 . 922 . . 137 VAL HG13 . 26580 2 256 . 1 1 137 137 VAL HG21 H 1 0.657 . . 2 . 935 . . 137 VAL HG21 . 26580 2 257 . 1 1 137 137 VAL HG22 H 1 0.657 . . 2 . 935 . . 137 VAL HG22 . 26580 2 258 . 1 1 137 137 VAL HG23 H 1 0.657 . . 2 . 935 . . 137 VAL HG23 . 26580 2 259 . 1 1 137 137 VAL CG1 C 13 20.562 . . 2 . 833 . . 137 VAL CG1 . 26580 2 260 . 1 1 137 137 VAL CG2 C 13 22.679 . . 2 . 843 . . 137 VAL CG2 . 26580 2 261 . 1 1 148 148 ILE HD11 H 1 0.063 . . 1 . 957 . . 148 ILE HD11 . 26580 2 262 . 1 1 148 148 ILE HD12 H 1 0.063 . . 1 . 957 . . 148 ILE HD12 . 26580 2 263 . 1 1 148 148 ILE HD13 H 1 0.063 . . 1 . 957 . . 148 ILE HD13 . 26580 2 264 . 1 1 148 148 ILE CD1 C 13 12.514 . . 1 . 876 . . 148 ILE CD1 . 26580 2 265 . 1 1 150 150 VAL HG11 H 1 0.641 . . 2 . 920 . . 150 VAL HG11 . 26580 2 266 . 1 1 150 150 VAL HG12 H 1 0.641 . . 2 . 920 . . 150 VAL HG12 . 26580 2 267 . 1 1 150 150 VAL HG13 H 1 0.641 . . 2 . 920 . . 150 VAL HG13 . 26580 2 268 . 1 1 150 150 VAL HG21 H 1 0.677 . . 2 . 933 . . 150 VAL HG21 . 26580 2 269 . 1 1 150 150 VAL HG22 H 1 0.677 . . 2 . 933 . . 150 VAL HG22 . 26580 2 270 . 1 1 150 150 VAL HG23 H 1 0.677 . . 2 . 933 . . 150 VAL HG23 . 26580 2 271 . 1 1 150 150 VAL CG1 C 13 20.523 . . 2 . 834 . . 150 VAL CG1 . 26580 2 272 . 1 1 150 150 VAL CG2 C 13 21.172 . . 2 . 851 . . 150 VAL CG2 . 26580 2 273 . 1 1 151 151 VAL HG11 H 1 0.502 . . 2 . 913 . . 151 VAL HG11 . 26580 2 274 . 1 1 151 151 VAL HG12 H 1 0.502 . . 2 . 913 . . 151 VAL HG12 . 26580 2 275 . 1 1 151 151 VAL HG13 H 1 0.502 . . 2 . 913 . . 151 VAL HG13 . 26580 2 276 . 1 1 151 151 VAL HG21 H 1 0.636 . . 2 . 926 . . 151 VAL HG21 . 26580 2 277 . 1 1 151 151 VAL HG22 H 1 0.636 . . 2 . 926 . . 151 VAL HG22 . 26580 2 278 . 1 1 151 151 VAL HG23 H 1 0.636 . . 2 . 926 . . 151 VAL HG23 . 26580 2 279 . 1 1 151 151 VAL CG1 C 13 19.408 . . 2 . 835 . . 151 VAL CG1 . 26580 2 280 . 1 1 151 151 VAL CG2 C 13 21.008 . . 2 . 844 . . 151 VAL CG2 . 26580 2 281 . 1 1 164 164 LEU HD11 H 1 0.719 . . 2 . 958 . . 164 LEU HD11 . 26580 2 282 . 1 1 164 164 LEU HD12 H 1 0.719 . . 2 . 958 . . 164 LEU HD12 . 26580 2 283 . 1 1 164 164 LEU HD13 H 1 0.719 . . 2 . 958 . . 164 LEU HD13 . 26580 2 284 . 1 1 164 164 LEU HD21 H 1 0.736 . . 2 . 974 . . 164 LEU HD21 . 26580 2 285 . 1 1 164 164 LEU HD22 H 1 0.736 . . 2 . 974 . . 164 LEU HD22 . 26580 2 286 . 1 1 164 164 LEU HD23 H 1 0.736 . . 2 . 974 . . 164 LEU HD23 . 26580 2 287 . 1 1 164 164 LEU CD1 C 13 24.450 . . 2 . 888 . . 164 LEU CD1 . 26580 2 288 . 1 1 164 164 LEU CD2 C 13 24.468 . . 2 . 986 . . 164 LEU CD2 . 26580 2 289 . 1 1 165 165 LEU HD11 H 1 0.534 . . 2 . 960 . . 165 LEU HD11 . 26580 2 290 . 1 1 165 165 LEU HD12 H 1 0.534 . . 2 . 960 . . 165 LEU HD12 . 26580 2 291 . 1 1 165 165 LEU HD13 H 1 0.534 . . 2 . 960 . . 165 LEU HD13 . 26580 2 292 . 1 1 165 165 LEU HD21 H 1 0.522 . . 2 . 987 . . 165 LEU HD21 . 26580 2 293 . 1 1 165 165 LEU HD22 H 1 0.522 . . 2 . 987 . . 165 LEU HD22 . 26580 2 294 . 1 1 165 165 LEU HD23 H 1 0.522 . . 2 . 987 . . 165 LEU HD23 . 26580 2 295 . 1 1 165 165 LEU CD1 C 13 22.426 . . 2 . 877 . . 165 LEU CD1 . 26580 2 296 . 1 1 165 165 LEU CD2 C 13 24.756 . . 2 . 907 . . 165 LEU CD2 . 26580 2 297 . 1 1 168 168 ILE HD11 H 1 0.504 . . 1 . 943 . . 168 ILE HD11 . 26580 2 298 . 1 1 168 168 ILE HD12 H 1 0.504 . . 1 . 943 . . 168 ILE HD12 . 26580 2 299 . 1 1 168 168 ILE HD13 H 1 0.504 . . 1 . 943 . . 168 ILE HD13 . 26580 2 300 . 1 1 168 168 ILE CD1 C 13 13.172 . . 1 . 878 . . 168 ILE CD1 . 26580 2 stop_ save_